#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ow6 n LEU 917 N 0.00 2.76 -4.67 -4.53 4.77 -1.26 -4.94 117.00 109.13 1ow6 n LEU 917 Ca 0.00 1.10 -0.41 0.00 -0.03 0.00 0.00 56.01 56.67 1ow6 n LEU 917 Cb 0.00 -1.38 -0.05 0.00 -2.33 0.00 0.00 43.42 39.66 1ow6 n LEU 917 CO 0.00 -1.21 0.49 -0.62 -1.33 0.00 0.00 177.39 174.73 1ow6 s ASP 918 N -0.61 6.86 -0.08 -1.43 3.68 -1.26 -4.93 116.67 118.90 1ow6 s ASP 918 Ca 0.61 1.05 0.19 0.00 2.13 0.00 0.00 52.55 56.53 1ow6 s ASP 918 Cb -0.58 -2.41 0.70 0.00 -1.45 0.00 0.00 42.92 39.18 1ow6 s ASP 918 CO 0.58 -0.31 1.61 0.54 0.13 0.00 0.00 175.17 177.72 1ow6 n ARG 919 N 4.97 3.49 -0.36 4.34 5.12 -1.26 -4.72 116.66 128.24 1ow6 n ARG 919 Ca 0.02 -2.84 0.05 0.00 -1.93 0.00 0.00 57.85 53.15 1ow6 n ARG 919 Cb 0.49 -1.81 0.21 0.00 -1.16 0.00 0.00 32.46 30.20 1ow6 n ARG 919 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1ow6 h SER 920 N 4.12 0.96 -1.54 0.55 0.02 -2.03 -2.79 113.55 112.84 1ow6 h SER 920 Ca 0.00 0.03 -0.47 0.00 -0.84 0.00 0.00 61.79 60.52 1ow6 h SER 920 Cb 1.34 -0.16 -0.41 0.00 0.14 0.00 0.00 62.40 63.31 1ow6 h SER 920 CO 0.17 0.55 -1.04 0.59 -1.14 0.00 0.00 176.83 175.96 1ow6 n ASN 921 N -4.58 2.25 -4.23 3.07 3.02 -1.26 -5.00 115.26 108.53 1ow6 n ASN 921 Ca 0.18 -3.10 -0.42 0.00 -0.03 0.00 0.00 54.58 51.20 1ow6 n ASN 921 Cb 0.29 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 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 -3.05 5.99 0.28 6.41 -1.08 -1.05 -4.92 116.67 119.25 1ow6 s ASP 922 Ca 0.37 -2.51 0.05 0.00 -0.52 0.00 0.00 52.55 49.95 1ow6 s ASP 922 Cb 0.40 -2.05 0.41 0.00 -1.46 0.00 0.00 42.92 40.21 1ow6 s ASP 922 CO -0.06 -0.55 1.68 0.11 0.52 0.00 0.00 175.17 176.86 1ow6 h LYS 923 N 7.77 0.28 -0.49 4.34 6.56 -1.95 -1.59 116.57 131.49 1ow6 h LYS 923 Ca -0.03 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1ow6 h LYS 923 Cb 1.02 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.66 1ow6 h LYS 923 CO 0.78 0.66 0.31 0.28 -2.06 0.00 0.00 179.45 179.42 1ow6 h VAL 924 N 0.24 1.14 -0.30 0.50 2.07 -1.99 0.23 116.25 118.14 1ow6 h VAL 924 Ca 0.02 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1ow6 h VAL 924 Cb 0.84 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1ow6 h VAL 924 CO 0.07 0.14 -0.15 0.22 0.02 0.00 0.00 177.57 177.87 1ow6 h TYR 925 N 0.66 0.56 -0.38 1.57 5.03 -1.87 -2.14 116.97 120.39 1ow6 h TYR 925 Ca 0.18 -0.09 -0.09 0.00 2.58 0.00 0.00 58.73 61.31 1ow6 h TYR 925 Cb -0.04 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.08 1ow6 h TYR 925 CO -0.03 0.65 -0.11 1.49 -1.32 0.00 0.00 178.16 178.83 1ow6 h GLU 926 N 0.47 0.74 -0.01 1.82 4.81 -0.42 -2.09 114.58 119.92 1ow6 h GLU 926 Ca 0.08 -0.29 -0.20 0.00 -0.13 0.00 0.00 59.36 58.82 1ow6 h GLU 926 Cb 0.54 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1ow6 h GLU 926 CO 0.03 0.90 -0.86 -0.91 -0.73 0.00 0.00 179.01 177.44 1ow6 h ASN 927 N 0.55 0.30 -0.10 1.04 2.35 -0.40 -1.55 115.58 117.76 1ow6 h ASN 927 Ca 0.09 -0.24 -0.13 0.00 -0.55 0.00 0.00 56.30 55.48 1ow6 h ASN 927 Cb 0.63 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1ow6 h ASN 927 CO 0.04 1.02 -0.37 0.58 -1.65 0.00 0.00 177.43 177.06 1ow6 h VAL 928 N 0.14 1.29 -0.40 2.81 2.07 -1.45 -0.57 116.25 120.14 1ow6 h VAL 928 Ca -0.04 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 65.91 1ow6 h VAL 928 Cb 1.47 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1ow6 h VAL 928 CO 0.13 0.48 0.03 0.74 0.02 0.00 0.00 177.57 178.98 1ow6 h THR 929 N 0.51 1.21 -0.11 2.57 2.02 -1.12 -2.16 112.91 115.83 1ow6 h THR 929 Ca 0.05 -0.80 -0.20 0.00 0.77 0.00 0.00 66.41 66.23 1ow6 h THR 929 Cb 0.87 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1ow6 h THR 929 CO 0.07 0.28 -0.74 1.23 0.37 0.00 0.00 175.52 176.73 1ow6 h GLY 930 N 0.88 0.60 0.95 2.16 0.00 -1.01 -0.30 103.07 106.35 1ow6 h GLY 930 Ca 0.13 -0.85 -0.13 0.00 0.00 0.00 0.00 47.33 46.48 1ow6 h GLY 930 CO 0.01 0.75 -0.36 -2.00 0.00 0.00 0.00 176.54 174.94 1ow6 h LEU 931 N 0.37 0.71 -0.71 3.11 5.85 -1.03 -1.92 115.31 121.69 1ow6 h LEU 931 Ca -0.04 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1ow6 h LEU 931 Cb 1.34 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1ow6 h LEU 931 CO 0.14 1.10 0.46 0.58 -0.34 0.00 0.00 178.44 180.37 1ow6 h VAL 932 N 0.34 1.13 -0.82 1.05 2.07 -1.32 -0.90 116.25 117.80 1ow6 h VAL 932 Ca 0.02 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1ow6 h VAL 932 Cb 0.95 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1ow6 h VAL 932 CO 0.08 0.17 0.50 0.11 0.02 0.00 0.00 177.57 178.44 1ow6 h LYS 933 N 0.90 1.10 -0.43 1.57 1.57 -0.80 -1.81 116.57 118.68 1ow6 h LYS 933 Ca 0.28 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 1ow6 h LYS 933 Cb -0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1ow6 h LYS 933 CO -0.09 0.77 -0.19 0.00 -0.57 0.00 0.00 179.45 179.38 1ow6 h ALA 934 N 1.27 0.60 -0.63 3.86 0.00 -0.76 0.02 119.26 123.61 1ow6 h ALA 934 Ca 0.29 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ow6 h ALA 934 Cb -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1ow6 h ALA 934 CO -0.06 0.55 0.42 0.28 0.00 0.00 0.00 179.25 180.44 1ow6 h VAL 935 N 0.70 1.06 0.00 0.00 2.07 -1.01 -2.32 116.25 116.76 1ow6 h VAL 935 Ca 0.10 -0.24 -0.19 0.00 0.82 0.00 0.00 66.70 67.18 1ow6 h VAL 935 Cb 0.75 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1ow6 h VAL 935 CO 0.06 0.13 -0.85 0.40 0.02 0.00 0.00 177.57 177.32 1ow6 h ILE 936 N 0.71 1.53 -0.13 4.57 2.04 -0.76 -1.74 117.51 123.73 1ow6 h ILE 936 Ca 0.26 -2.68 -0.16 0.00 1.00 0.00 0.00 64.86 63.28 1ow6 h ILE 936 Cb 0.13 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1ow6 h ILE 936 CO -0.07 0.78 -0.59 -0.08 0.00 0.00 0.00 178.15 178.19 1ow6 h GLU 937 N 0.07 0.41 -0.30 2.37 4.81 -0.89 -1.15 114.58 119.89 1ow6 h GLU 937 Ca -0.03 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 58.80 1ow6 h GLU 937 Cb 1.48 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.90 1ow6 h GLU 937 CO 0.12 0.88 -0.31 1.98 -0.73 0.00 0.00 179.01 180.95 1ow6 h MET 938 N 0.31 0.74 0.03 1.92 4.05 -1.38 -2.05 114.93 118.56 1ow6 h MET 938 Ca -0.00 -0.39 -0.25 0.00 -0.28 0.00 0.00 59.70 58.77 1ow6 h MET 938 Cb 1.11 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.94 1ow6 h MET 938 CO 0.10 1.02 -1.04 0.77 0.23 0.00 0.00 176.91 177.98 1ow6 h SER 939 N 0.50 0.65 0.29 1.39 0.02 -1.31 -1.74 113.55 113.35 1ow6 h SER 939 Ca 0.05 -0.55 -0.02 0.00 -0.84 0.00 0.00 61.79 60.43 1ow6 h SER 939 Cb 0.88 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 1ow6 h SER 939 CO 0.08 1.36 -0.08 0.77 -1.14 0.00 0.00 176.83 177.82 1ow6 h SER 940 N 0.25 0.00 0.63 3.07 4.64 -1.12 -2.78 113.55 118.25 1ow6 h SER 940 Ca -0.11 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 1ow6 h SER 940 Cb 1.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 1ow6 h SER 940 CO 0.19 0.08 -1.40 0.29 -0.87 0.00 0.00 176.83 175.12 1ow6 n LYS 941 N -3.62 0.63 0.03 4.77 5.02 -0.78 -3.69 118.16 120.52 1ow6 n LYS 941 Ca -0.02 0.04 -0.07 0.00 -2.02 0.00 0.00 58.31 56.25 1ow6 n LYS 941 Cb 0.20 -1.73 -0.12 0.00 -0.02 0.00 0.00 35.03 33.36 1ow6 n LYS 941 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ow6 h ILE 942 N 0.00 1.31 -2.35 -0.18 2.04 -1.25 -3.47 117.51 113.61 1ow6 h ILE 942 Ca -0.05 -3.04 -0.52 0.00 1.00 0.00 0.00 64.86 62.25 1ow6 h ILE 942 Cb 1.14 2.64 -0.05 0.00 -0.74 0.00 0.00 36.82 39.81 1ow6 h ILE 942 CO 0.01 0.75 -0.52 -1.10 0.00 0.00 0.00 178.15 177.28 1ow6 s GLN 943 N -2.69 3.00 0.05 2.37 -0.21 -1.06 -5.11 119.66 116.02 1ow6 s GLN 943 Ca -0.01 -0.95 -0.11 0.00 0.02 0.00 0.00 55.36 54.31 1ow6 s GLN 943 Cb 0.09 -2.64 -0.06 0.00 1.00 0.00 0.00 33.01 31.40 1ow6 s GLN 943 CO 0.82 0.43 0.39 -1.25 -2.12 0.00 0.00 175.29 173.56 1ow6 s PRO 944 N -3.62 3.78 0.27 2.91 0.05 -1.26 -4.84 135.00 132.28 1ow6 s PRO 944 Ca 0.33 0.21 -0.23 0.00 0.05 0.00 0.00 61.00 61.36 1ow6 s PRO 944 Cb -0.09 -3.06 -0.09 0.00 0.05 0.00 0.00 34.50 31.32 1ow6 s PRO 944 CO 0.25 0.60 0.83 0.00 0.05 0.00 0.00 177.00 178.73 1ow6 s ALA 945 N -1.31 3.32 -0.16 8.56 0.00 -1.26 -4.98 121.76 125.92 1ow6 s ALA 945 Ca 0.30 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.32 1ow6 s ALA 945 Cb -0.14 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1ow6 s ALA 945 CO 0.16 0.25 2.04 -1.25 0.00 0.00 0.00 175.76 176.97 1ow6 s PRO 946 N -1.96 3.50 0.09 0.00 0.04 -1.26 -4.85 135.00 130.56 1ow6 s PRO 946 Ca 0.46 2.08 0.03 0.00 0.04 0.00 0.00 61.00 63.61 1ow6 s PRO 946 Cb -0.18 -4.26 0.29 0.00 0.04 0.00 0.00 34.50 30.39 1ow6 s PRO 946 CO 0.23 -1.68 0.41 -2.30 0.04 0.00 0.00 177.00 173.69 1ow6 n PRO 947 N 8.27 -0.02 0.29 0.56 -0.02 -1.26 0.39 135.00 143.21 1ow6 n PRO 947 Ca 0.25 0.37 0.16 0.00 -2.02 0.00 0.00 63.50 62.26 1ow6 n PRO 947 Cb 0.44 -0.63 0.91 0.00 -0.02 0.00 0.00 33.50 34.20 1ow6 n PRO 947 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1ow6 h GLU 948 N 0.00 0.00 -0.07 -0.52 -0.00 -1.95 -2.60 114.58 109.43 1ow6 h GLU 948 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.55 1ow6 h GLU 948 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.23 1ow6 h GLU 948 CO -0.22 0.03 0.00 -1.91 -0.00 0.00 0.00 179.01 176.92 1ow6 n GLU 949 N -3.65 1.58 -0.14 1.06 2.13 1.25 -3.81 120.64 119.06 1ow6 n GLU 949 Ca -0.03 -0.86 0.07 0.00 0.66 0.00 0.00 57.16 57.01 1ow6 n GLU 949 Cb 0.13 -1.43 0.14 0.00 0.27 0.00 0.00 31.44 30.55 1ow6 n GLU 949 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 1ow6 n TYR 950 N 0.05 0.37 -0.01 4.31 0.18 -0.98 -4.41 117.16 116.67 1ow6 n TYR 950 Ca 0.18 -0.31 -0.12 0.00 1.88 0.00 0.00 57.90 59.53 1ow6 n TYR 950 Cb 0.30 -0.01 -0.08 0.00 -0.38 0.00 0.00 39.34 39.17 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 2.70 1.26 -0.39 -3.48 2.07 -1.72 -1.90 116.25 114.80 1ow6 h VAL 951 Ca 0.00 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.80 1ow6 h VAL 951 Cb 0.72 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1ow6 h VAL 951 CO 0.00 0.22 0.27 -0.65 0.02 0.00 0.00 177.57 177.43 1ow6 h PRO 952 N -0.23 0.15 -0.08 1.57 0.11 -1.85 0.23 132.00 131.89 1ow6 h PRO 952 Ca 0.01 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1ow6 h PRO 952 Cb 0.35 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1ow6 h PRO 952 CO 0.00 0.10 -0.17 0.52 -0.21 0.00 0.00 178.00 178.24 1ow6 h MET 953 N 0.15 0.25 0.00 1.05 2.86 -1.74 -0.99 114.93 116.52 1ow6 h MET 953 Ca 0.18 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1ow6 h MET 953 Cb 0.52 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1ow6 h MET 953 CO -0.03 0.76 -0.32 0.28 1.06 0.00 0.00 176.91 178.67 1ow6 h VAL 954 N -0.22 1.18 -0.23 -2.22 2.07 -0.48 -2.09 116.25 114.27 1ow6 h VAL 954 Ca 0.00 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 1ow6 h VAL 954 Cb 0.75 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1ow6 h VAL 954 CO 0.04 0.31 0.05 0.11 0.02 0.00 0.00 177.57 178.10 1ow6 h LYS 955 N 0.00 0.36 -0.84 1.57 1.57 -0.41 -1.29 116.57 117.54 1ow6 h LYS 955 Ca -0.00 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1ow6 h LYS 955 Cb 0.58 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.77 1ow6 h LYS 955 CO 0.04 0.48 0.50 0.93 -0.57 0.00 0.00 179.45 180.82 1ow6 h GLU 956 N 0.19 0.83 -0.56 3.15 5.08 -0.63 -1.28 114.58 121.36 1ow6 h GLU 956 Ca 0.07 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1ow6 h GLU 956 Cb 0.28 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1ow6 h GLU 956 CO 0.00 0.55 0.27 0.28 -1.00 0.00 0.00 179.01 179.11 1ow6 h VAL 957 N 0.86 1.21 -0.93 3.13 2.07 -1.09 -2.23 116.25 119.27 1ow6 h VAL 957 Ca 0.39 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1ow6 h VAL 957 Cb 0.30 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1ow6 h VAL 957 CO -0.22 0.23 0.57 1.23 0.02 0.00 0.00 177.57 179.40 1ow6 h GLY 958 N 0.75 1.34 1.15 2.17 0.00 -0.51 -1.63 103.07 106.35 1ow6 h GLY 958 Ca 0.19 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 1ow6 h GLY 958 CO -0.02 0.53 -0.20 -2.00 0.00 0.00 0.00 176.54 174.84 1ow6 h LEU 959 N 1.27 0.99 -0.60 3.11 5.85 -0.69 -0.98 115.31 124.27 1ow6 h LEU 959 Ca 0.33 -0.37 -0.15 0.00 0.84 0.00 0.00 57.88 58.54 1ow6 h LEU 959 Cb -0.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 1ow6 h LEU 959 CO -0.06 1.15 -0.68 0.00 -0.34 0.00 0.00 178.44 178.51 1ow6 h ALA 960 N 0.92 0.82 -0.03 1.25 0.00 -1.08 -0.86 119.26 120.28 1ow6 h ALA 960 Ca 0.11 -0.61 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 1ow6 h ALA 960 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ow6 h ALA 960 CO 0.06 0.82 -0.83 1.25 0.00 0.00 0.00 179.25 180.55 1ow6 h LEU 961 N 0.07 0.40 -0.54 0.00 5.85 -1.11 -2.05 115.31 117.94 1ow6 h LEU 961 Ca -0.01 -0.30 -0.14 0.00 0.84 0.00 0.00 57.88 58.27 1ow6 h LEU 961 Cb 1.21 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1ow6 h LEU 961 CO 0.10 1.07 -0.37 0.03 -0.34 0.00 0.00 178.44 178.93 1ow6 h ARG 962 N 0.20 0.78 -0.59 1.25 3.08 -0.50 -0.63 114.38 117.96 1ow6 h ARG 962 Ca -0.05 -0.39 -0.05 0.00 0.07 0.00 0.00 59.98 59.56 1ow6 h ARG 962 Cb 1.43 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.46 1ow6 h ARG 962 CO 0.14 1.02 0.17 1.15 -1.07 0.00 0.00 179.97 181.38 1ow6 h THR 963 N 0.65 1.24 -0.31 2.04 2.02 -1.19 -2.02 112.91 115.34 1ow6 h THR 963 Ca 0.06 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1ow6 h THR 963 Cb 0.92 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1ow6 h THR 963 CO 0.08 0.32 0.16 0.25 0.37 0.00 0.00 175.52 176.70 1ow6 h LEU 964 N 0.84 0.40 -1.19 2.58 5.85 -0.88 -1.96 115.31 120.95 1ow6 h LEU 964 Ca 0.19 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1ow6 h LEU 964 Cb 0.30 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1ow6 h LEU 964 CO -0.00 0.39 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.12 1ow6 h LEU 965 N 0.37 0.18 -0.16 2.25 3.38 -0.99 -0.27 115.31 120.07 1ow6 h LEU 965 Ca 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1ow6 h LEU 965 Cb 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ow6 h LEU 965 CO -0.02 0.48 -0.02 0.00 0.09 0.00 0.00 178.44 178.98 1ow6 h ALA 966 N 1.54 0.22 -0.45 1.53 0.00 -1.16 -0.76 119.26 120.18 1ow6 h ALA 966 Ca 0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ow6 h ALA 966 Cb 0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ow6 h ALA 966 CO 0.04 -0.05 0.27 1.15 0.00 0.00 0.00 179.25 180.67 1ow6 h THR 967 N 0.03 1.14 -0.49 0.00 2.02 -0.89 -2.07 112.91 112.65 1ow6 h THR 967 Ca 0.04 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1ow6 h THR 967 Cb 0.42 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1ow6 h THR 967 CO 0.01 0.14 0.19 0.58 0.37 0.00 0.00 175.52 176.81 1ow6 h VAL 968 N 0.60 1.18 -0.37 3.16 2.07 -0.94 -1.55 116.25 120.41 1ow6 h VAL 968 Ca 0.16 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1ow6 h VAL 968 Cb -0.01 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1ow6 h VAL 968 CO -0.03 0.22 0.24 0.44 0.02 0.00 0.00 177.57 178.47 1ow6 h ASP 969 N 0.69 0.40 0.12 0.57 3.32 -0.44 -0.41 116.42 120.67 1ow6 h ASP 969 Ca 0.17 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1ow6 h ASP 969 Cb 0.14 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1ow6 h ASP 969 CO -0.02 0.29 -0.15 -0.62 -1.72 0.00 0.00 179.24 177.02 1ow6 n GLU 970 N -4.48 1.23 -0.04 3.56 1.02 -0.63 -3.82 120.64 117.48 1ow6 n GLU 970 Ca 0.03 -0.74 0.02 0.00 -0.02 0.00 0.00 57.16 56.45 1ow6 n GLU 970 Cb 0.08 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 29.87 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 -0.23 0.50 -0.19 2.62 -1.04 -0.23 -4.65 114.28 111.06 1ow6 n THR 971 Ca 0.15 -0.58 -0.00 0.00 -2.04 0.00 0.00 64.05 61.57 1ow6 n THR 971 Cb 0.36 -0.17 0.10 0.00 -1.82 0.00 0.00 70.33 68.79 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 0.72 -0.18 12.58 2.04 -1.47 -2.53 117.51 128.67 1ow6 h ILE 972 Ca -0.20 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.61 1ow6 h ILE 972 Cb 1.39 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1ow6 h ILE 972 CO 0.01 0.06 0.17 -0.65 0.00 0.00 0.00 178.15 177.74 1ow6 h PRO 973 N 0.32 0.00 -0.08 2.37 0.11 -1.82 -1.77 132.00 131.13 1ow6 h PRO 973 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1ow6 h PRO 973 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1ow6 h PRO 973 CO -0.34 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.73 1ow6 n LEU 974 N -3.98 1.07 -4.44 2.35 4.77 -0.95 -4.88 117.00 110.93 1ow6 n LEU 974 Ca 0.01 -0.42 -0.28 0.00 -0.03 0.00 0.00 56.01 55.30 1ow6 n LEU 974 Cb 0.30 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.23 1ow6 n LEU 974 CO 0.30 0.21 -0.52 -0.76 -1.33 0.00 0.00 177.39 175.28 1ow6 s LEU 975 N -1.70 2.50 0.22 2.23 1.43 -0.67 -4.99 118.68 117.71 1ow6 s LEU 975 Ca 0.34 -0.76 -0.31 0.00 -1.03 0.00 0.00 54.13 52.37 1ow6 s LEU 975 Cb 0.18 -1.29 -0.15 0.00 0.03 0.00 0.00 46.19 44.95 1ow6 s LEU 975 CO 0.28 0.14 1.14 -2.65 0.23 0.00 0.00 176.35 175.49 1ow6 n PRO 976 N 0.49 1.35 0.13 1.29 -0.02 -1.26 -4.85 135.00 132.13 1ow6 n PRO 976 Ca -0.14 0.48 0.15 0.00 -2.02 0.00 0.00 63.50 61.97 1ow6 n PRO 976 Cb 0.55 -1.95 0.70 0.00 -0.02 0.00 0.00 33.50 32.78 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 2.97 2.19 0.00 3.55 0.00 -1.94 -1.58 119.26 124.45 1ow6 h ALA 977 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ow6 h ALA 977 Cb 1.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1ow6 h ALA 977 CO 0.67 -0.36 0.39 0.66 0.00 0.00 0.00 179.25 180.61 1ow6 h SER 978 N 0.00 0.00 0.00 0.00 4.64 -2.02 -2.50 113.55 113.67 1ow6 h SER 978 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1ow6 h SER 978 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1ow6 h SER 978 CO -0.00 0.00 -0.71 0.35 -0.87 0.00 0.00 176.83 175.60 1ow6 n THR 979 N -2.44 0.00 -0.35 2.95 -2.24 -0.59 -4.76 114.28 106.85 1ow6 n THR 979 Ca -0.01 -0.25 0.22 0.00 -2.27 0.00 0.00 64.05 61.75 1ow6 n THR 979 Cb 0.42 0.69 0.47 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.00 0.85 0.01 4.78 3.86 -1.50 -2.53 115.15 120.63 1ow6 h HIS 980 Ca 0.00 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.05 1ow6 h HIS 980 Cb 0.15 -0.24 0.02 0.00 1.06 0.00 0.00 27.41 28.39 1ow6 h HIS 980 CO 0.00 -0.02 -0.75 0.00 0.86 0.00 0.00 177.93 178.02 1ow6 h ARG 981 N 0.42 0.48 -0.82 2.45 2.47 -1.86 -0.47 114.38 117.05 1ow6 h ARG 981 Ca 0.67 -0.54 0.06 0.00 -1.26 0.00 0.00 59.98 58.91 1ow6 h ARG 981 Cb 1.54 0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 29.96 1ow6 h ARG 981 CO -0.46 1.18 0.54 1.49 0.56 0.00 0.00 179.97 183.28 1ow6 h GLU 982 N 0.02 0.90 -0.13 0.04 4.81 -1.79 -0.16 114.58 118.27 1ow6 h GLU 982 Ca -0.10 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 58.89 1ow6 h GLU 982 Cb 1.45 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1ow6 h GLU 982 CO 0.15 0.59 -0.70 0.82 -0.73 0.00 0.00 179.01 179.14 1ow6 h ILE 983 N 0.92 1.33 -0.05 2.32 2.04 -1.51 -2.55 117.51 120.02 1ow6 h ILE 983 Ca 0.35 -2.00 -0.06 0.00 1.00 0.00 0.00 64.86 64.14 1ow6 h ILE 983 Cb 0.18 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1ow6 h ILE 983 CO -0.12 0.62 -0.27 -0.33 0.00 0.00 0.00 178.15 178.05 1ow6 h GLU 984 N 0.40 0.09 -0.05 2.37 5.08 0.21 -2.25 114.58 120.44 1ow6 h GLU 984 Ca -0.03 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.09 1ow6 h GLU 984 Cb 1.29 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1ow6 h GLU 984 CO 0.13 0.36 -0.86 0.52 -1.00 0.00 0.00 179.01 178.16 1ow6 h MET 985 N 0.08 0.50 0.00 2.33 2.86 -0.90 -2.56 114.93 117.23 1ow6 h MET 985 Ca 0.01 -0.47 -0.05 0.00 -2.06 0.00 0.00 59.70 57.13 1ow6 h MET 985 Cb 0.53 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1ow6 h MET 985 CO 0.04 1.11 -0.26 0.00 1.06 0.00 0.00 176.91 178.86 1ow6 h ALA 986 N 0.74 1.28 -0.04 6.32 0.00 -1.17 -1.80 119.26 124.59 1ow6 h ALA 986 Ca -0.07 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1ow6 h ALA 986 Cb 1.48 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.24 1ow6 h ALA 986 CO 0.16 0.32 -0.58 1.96 0.00 0.00 0.00 179.25 181.10 1ow6 h GLN 987 N 0.00 0.46 -0.48 0.00 4.20 -1.34 -3.01 115.11 114.94 1ow6 h GLN 987 Ca -0.00 -0.44 -0.07 0.00 0.06 0.00 0.00 58.65 58.19 1ow6 h GLN 987 Cb 0.56 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1ow6 h GLN 987 CO 0.03 1.09 0.01 -0.22 -0.67 0.00 0.00 178.83 179.07 1ow6 h LYS 988 N -0.01 0.80 -0.35 1.46 3.64 -0.99 -2.41 116.57 118.71 1ow6 h LYS 988 Ca -0.06 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.02 1ow6 h LYS 988 Cb 1.27 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1ow6 h LYS 988 CO 0.12 0.80 -0.17 1.25 -2.27 0.00 0.00 179.45 179.18 1ow6 h LEU 989 N 0.75 0.63 -0.50 5.20 5.85 -1.43 -1.10 115.31 124.71 1ow6 h LEU 989 Ca 0.15 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 1ow6 h LEU 989 Cb 0.44 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1ow6 h LEU 989 CO 0.02 0.81 0.12 -0.07 -0.34 0.00 0.00 178.44 178.98 1ow6 h LEU 990 N 0.57 0.76 -0.85 2.25 3.38 -1.30 -0.65 115.31 119.47 1ow6 h LEU 990 Ca 0.09 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1ow6 h LEU 990 Cb 0.61 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1ow6 h LEU 990 CO 0.04 0.79 0.17 0.78 0.09 0.00 0.00 178.44 180.32 1ow6 h ASN 991 N 0.68 0.96 -0.82 -0.43 2.35 -1.25 -1.52 115.58 115.56 1ow6 h ASN 991 Ca 0.16 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1ow6 h ASN 991 Cb 0.34 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 1ow6 h ASN 991 CO 0.00 0.92 0.51 -1.28 -1.65 0.00 0.00 177.43 175.93 1ow6 h SER 992 N 0.98 0.97 0.32 5.81 0.87 -0.97 -1.22 113.55 120.32 1ow6 h SER 992 Ca 0.21 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 1ow6 h SER 992 Cb 0.33 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1ow6 h SER 992 CO -0.00 0.73 -0.50 0.44 -0.53 0.00 0.00 176.83 176.97 1ow6 h ASP 993 N 1.12 0.22 0.26 6.23 3.32 -0.12 -0.11 116.42 127.35 1ow6 h ASP 993 Ca 0.29 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 1ow6 h ASP 993 Cb -0.07 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1ow6 h ASP 993 CO -0.06 0.69 -0.43 0.25 -1.72 0.00 0.00 179.24 177.97 1ow6 h LEU 994 N 0.16 0.23 0.21 1.55 5.85 -1.18 -0.63 115.31 121.50 1ow6 h LEU 994 Ca 0.01 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1ow6 h LEU 994 Cb 0.94 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1ow6 h LEU 994 CO 0.08 0.64 -0.29 1.23 -0.34 0.00 0.00 178.44 179.75 1ow6 h GLY 995 N 1.25 -1.08 1.02 3.75 0.00 0.19 -0.46 103.07 107.74 1ow6 h GLY 995 Ca 0.01 0.51 0.13 0.00 0.00 0.00 0.00 47.33 47.98 1ow6 h GLY 995 CO 0.07 -0.34 0.37 0.83 0.00 0.00 0.00 176.54 177.47 1ow6 h GLU 996 N -0.52 0.15 0.13 4.80 5.08 -1.09 -1.65 114.58 121.47 1ow6 h GLU 996 Ca -0.02 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.04 1ow6 h GLU 996 Cb 0.47 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.71 1ow6 h GLU 996 CO -0.08 0.10 -1.23 1.25 -1.00 0.00 0.00 179.01 178.04 1ow6 h LEU 997 N 0.15 0.67 -0.75 1.33 5.85 -0.53 -2.27 115.31 119.76 1ow6 h LEU 997 Ca 0.25 -0.65 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 1ow6 h LEU 997 Cb 0.80 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1ow6 h LEU 997 CO -0.04 1.48 0.33 0.40 -0.34 0.00 0.00 178.44 180.27 1ow6 h ILE 998 N 0.18 1.25 0.18 4.05 2.04 -0.37 -1.90 117.51 122.94 1ow6 h ILE 998 Ca -0.16 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1ow6 h ILE 998 Cb 1.92 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1ow6 h ILE 998 CO 0.22 0.31 -0.50 0.78 0.00 0.00 0.00 178.15 178.96 1ow6 h ASN 999 N 1.07 -1.48 0.30 1.72 4.21 -1.17 -1.78 115.58 118.45 1ow6 h ASN 999 Ca 0.25 0.15 -0.03 0.00 1.21 0.00 0.00 56.30 57.89 1ow6 h ASN 999 Cb 0.17 0.54 -0.00 0.00 -1.12 0.00 0.00 38.32 37.91 1ow6 h ASN 999 CO -0.03 -0.56 -0.12 0.11 -1.29 0.00 0.00 177.43 175.54 1ow6 h LYS 1000N -0.77 0.00 -0.30 0.81 1.79 -1.30 -0.75 116.57 116.04 1ow6 h LYS 1000Ca -0.01 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.29 1ow6 h LYS 1000Cb 0.76 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1ow6 h LYS 1000CO -0.24 0.12 -0.48 1.98 -1.08 0.00 0.00 179.45 179.75 1ow6 h MET 1001N 0.00 0.83 -0.15 3.15 1.85 -0.62 -0.95 114.93 119.03 1ow6 h MET 1001Ca -0.00 -0.48 -0.17 0.00 -0.61 0.00 0.00 59.70 58.44 1ow6 h MET 1001Cb 0.31 0.04 0.01 0.00 0.43 0.00 0.00 31.60 32.38 1ow6 h MET 1001CO 0.02 1.12 -0.56 0.87 -0.40 0.00 0.00 176.91 177.95 1ow6 h LYS 1002N 0.65 0.65 -0.52 0.39 1.57 -0.46 -1.72 116.57 117.13 1ow6 h LYS 1002Ca 0.03 -0.50 0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1ow6 h LYS 1002Cb 1.06 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 1ow6 h LYS 1002CO 0.11 1.12 0.27 -0.07 -0.57 0.00 0.00 179.45 180.30 1ow6 h LEU 1003N 0.33 0.39 -0.90 2.94 3.38 -1.17 -1.17 115.31 119.10 1ow6 h LEU 1003Ca -0.03 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1ow6 h LEU 1003Cb 1.19 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1ow6 h LEU 1003CO 0.12 0.26 0.10 0.00 0.09 0.00 0.00 178.44 179.02 1ow6 h ALA 1004N 1.28 1.09 -0.06 1.53 0.00 -0.97 -1.28 119.26 120.85 1ow6 h ALA 1004Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ow6 h ALA 1004Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ow6 h ALA 1004CO -0.16 0.59 -0.16 1.96 0.00 0.00 0.00 179.25 181.49 1ow6 h GLN 1005N 0.87 0.10 -0.56 0.00 4.20 -0.86 -2.79 115.11 116.07 1ow6 h GLN 1005Ca 0.18 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 1ow6 h GLN 1005Cb 0.37 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1ow6 h GLN 1005CO 0.01 0.26 -0.05 0.37 -0.67 0.00 0.00 178.83 178.75 1ow6 h GLN 1006N 0.09 1.02 -0.58 1.46 4.15 -0.07 -3.18 115.11 118.00 1ow6 h GLN 1006Ca 0.02 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1ow6 h GLN 1006Cb 0.34 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1ow6 h GLN 1006CO 0.02 1.04 0.00 0.66 -1.93 0.00 0.00 178.83 178.62 1ow6 n TYR 1007N -4.20 1.70 -1.65 3.99 0.53 -0.90 -4.98 117.16 111.65 1ow6 n TYR 1007Ca 0.02 -0.68 -0.46 0.00 -1.02 0.00 0.00 57.90 55.75 1ow6 n TYR 1007Cb 0.37 -0.37 -0.04 0.00 -1.03 0.00 0.00 39.34 38.27 1ow6 n TYR 1007CO 0.00 0.00 0.00 1.55 -1.02 0.00 0.00 176.86 177.39 1ow6 n VAL 1008N 0.76 0.40 -0.55 -0.72 3.14 -1.07 -1.19 118.33 119.11 1ow6 n VAL 1008Ca 0.26 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 1ow6 n VAL 1008Cb 1.02 -1.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.43 1ow6 n VAL 1008CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1ow6 n MET 1009N 2.69 0.00 -2.79 1.45 2.81 -1.26 -5.02 117.12 115.00 1ow6 n MET 1009Ca 0.15 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.84 1ow6 n MET 1009Cb 0.28 -2.61 0.05 0.00 -0.71 0.00 0.00 33.22 30.23 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 -3.03 2.57 -1.29 2.03 -4.23 -0.33 -4.95 115.64 106.42 1ow6 s THR 1010Ca 0.00 -0.80 0.06 0.00 -1.18 0.00 0.00 61.69 59.77 1ow6 s THR 1010Cb 0.00 -2.78 0.09 0.00 1.34 0.00 0.00 72.50 71.15 1ow6 s THR 1010CO 0.00 0.00 1.09 -1.54 -0.54 0.00 0.00 174.62 173.63 1ow6 n SER 1011N -2.28 0.00 -0.23 3.99 3.41 -1.26 -2.47 113.62 114.77 1ow6 n SER 1011Ca 0.11 0.30 0.11 0.00 -0.26 0.00 0.00 58.87 59.12 1ow6 n SER 1011Cb 0.60 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 1ow6 n SER 1011CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ow6 n LEU 1012N -1.36 1.42 -0.25 1.04 7.99 -1.26 -4.55 117.00 120.03 1ow6 n LEU 1012Ca 0.02 -0.56 -0.07 0.00 -0.01 0.00 0.00 56.01 55.39 1ow6 n LEU 1012Cb 0.05 -0.02 0.04 0.00 -0.11 0.00 0.00 43.42 43.38 1ow6 n LEU 1012CO 0.05 0.29 0.99 -0.61 -1.51 0.00 0.00 177.39 176.60 1ow6 h GLN 1013N 1.13 1.05 0.42 3.23 4.15 -1.56 -3.06 115.11 120.48 1ow6 h GLN 1013Ca 0.00 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1ow6 h GLN 1013Cb 0.61 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1ow6 h GLN 1013CO 0.00 0.90 -0.20 0.37 -1.93 0.00 0.00 178.83 177.96 1ow6 h GLN 1014N 0.99 -0.55 -0.01 1.69 4.15 -1.81 -2.04 115.11 117.53 1ow6 h GLN 1014Ca 0.22 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1ow6 h GLN 1014Cb 0.27 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1ow6 h GLN 1014CO -0.01 -0.32 0.03 1.49 -1.93 0.00 0.00 178.83 178.09 1ow6 h GLU 1015N -0.66 0.00 0.00 1.69 4.57 -1.84 -1.42 114.58 116.92 1ow6 h GLU 1015Ca -0.06 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.89 1ow6 h GLU 1015Cb 0.48 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1ow6 h GLU 1015CO 0.10 0.00 -1.39 1.88 -1.18 0.00 0.00 179.01 178.41 1ow6 h TYR 1016N 0.00 0.00 -0.48 0.92 0.05 -1.34 -2.81 116.97 113.31 1ow6 h TYR 1016Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.80 1ow6 h TYR 1016Cb 0.06 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 1ow6 h TYR 1016CO 0.00 0.87 0.31 0.87 -1.05 0.00 0.00 178.16 179.15 1ow6 h LYS 1017N 0.00 0.60 -0.54 4.88 1.79 -0.58 -1.65 116.57 121.08 1ow6 h LYS 1017Ca -0.18 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.21 1ow6 h LYS 1017Cb 1.82 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 32.31 1ow6 h LYS 1017CO 0.08 0.40 0.12 0.87 -1.08 0.00 0.00 179.45 179.84 1ow6 h LYS 1018N 0.62 0.83 0.00 3.15 1.57 -1.44 0.15 116.57 121.44 1ow6 h LYS 1018Ca 0.18 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1ow6 h LYS 1018Cb -0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1ow6 h LYS 1018CO -0.06 0.75 -0.36 1.96 -0.57 0.00 0.00 179.45 181.17 1ow6 h GLN 1019N 0.80 0.00 0.53 3.15 4.20 -1.42 -0.86 115.11 121.50 1ow6 h GLN 1019Ca 0.17 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1ow6 h GLN 1019Cb 0.30 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.09 1ow6 h GLN 1019CO -0.00 0.36 -0.25 1.98 -0.67 0.00 0.00 178.83 180.24 1ow6 h MET 1020N 0.00 -0.69 -1.00 1.46 4.05 0.09 -2.00 114.93 116.84 1ow6 h MET 1020Ca -0.00 0.05 0.14 0.00 -0.28 0.00 0.00 59.70 59.60 1ow6 h MET 1020Cb 0.90 0.16 -0.09 0.00 -0.80 0.00 0.00 31.60 31.76 1ow6 h MET 1020CO 0.05 -0.39 0.63 -0.07 0.23 0.00 0.00 176.91 177.35 1ow6 h LEU 1021N -1.08 0.88 -0.83 3.39 3.38 -0.74 -0.41 115.31 119.89 1ow6 h LEU 1021Ca -0.07 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1ow6 h LEU 1021Cb 0.61 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1ow6 h LEU 1021CO 0.12 0.43 0.37 0.74 0.09 0.00 0.00 178.44 180.18 1ow6 h THR 1022N 0.92 1.26 -0.38 0.22 2.02 -1.15 0.74 112.91 116.54 1ow6 h THR 1022Ca 0.52 -0.78 -0.11 0.00 0.77 0.00 0.00 66.41 66.81 1ow6 h THR 1022Cb 0.62 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1ow6 h THR 1022CO -0.30 0.33 -0.19 0.00 0.37 0.00 0.00 175.52 175.73 1ow6 h ALA 1023N 1.20 0.54 -0.44 6.16 0.00 -0.43 -1.24 119.26 125.05 1ow6 h ALA 1023Ca 0.28 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ow6 h ALA 1023Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ow6 h ALA 1023CO -0.03 0.49 0.19 0.00 0.00 0.00 0.00 179.25 179.90 1ow6 h ALA 1024N 0.81 0.57 -0.51 0.00 0.00 -0.89 -2.12 119.26 117.13 1ow6 h ALA 1024Ca 0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ow6 h ALA 1024Cb 0.74 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ow6 h ALA 1024CO 0.06 0.16 0.11 1.25 0.00 0.00 0.00 179.25 180.83 1ow6 h HIS 1025N 0.57 0.79 0.00 0.00 6.17 -0.78 -2.22 115.15 119.68 1ow6 h HIS 1025Ca 0.15 -0.07 -0.05 0.00 0.71 0.00 0.00 60.37 61.11 1ow6 h HIS 1025Cb 0.17 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 29.86 1ow6 h HIS 1025CO -0.00 0.67 -0.23 0.00 0.71 0.00 0.00 177.93 179.08 1ow6 h ALA 1026N 1.38 1.13 0.06 5.26 0.00 -0.81 -2.16 119.26 124.12 1ow6 h ALA 1026Ca 0.16 -0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 1ow6 h ALA 1026Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ow6 h ALA 1026CO -0.00 0.29 -1.07 1.25 0.00 0.00 0.00 179.25 179.72 1ow6 h LEU 1027N 0.00 0.51 -0.42 0.00 5.85 -0.80 -1.68 115.31 118.77 1ow6 h LEU 1027Ca -0.00 -0.46 -0.18 0.00 0.84 0.00 0.00 57.88 58.08 1ow6 h LEU 1027Cb 0.63 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1ow6 h LEU 1027CO 0.03 1.29 -0.65 0.00 -0.34 0.00 0.00 178.44 178.77 1ow6 h ALA 1028N 0.66 0.60 -0.46 1.25 0.00 -1.13 -0.17 119.26 120.01 1ow6 h ALA 1028Ca -0.11 -0.56 -0.13 0.00 0.00 0.00 0.00 54.91 54.11 1ow6 h ALA 1028Cb 1.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1ow6 h ALA 1028CO 0.18 0.71 -0.24 0.28 0.00 0.00 0.00 179.25 180.19 1ow6 h VAL 1029N 0.40 1.27 0.00 0.00 2.07 -1.40 -2.06 116.25 116.52 1ow6 h VAL 1029Ca -0.01 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1ow6 h VAL 1029Cb 1.22 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1ow6 h VAL 1029CO 0.12 0.48 0.00 0.44 0.02 0.00 0.00 177.57 178.63 1ow6 h ASP 1030N 0.82 0.00 -0.15 0.57 3.32 -1.05 -1.87 116.42 118.05 1ow6 h ASP 1030Ca 0.10 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 1ow6 h ASP 1030Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1ow6 h ASP 1030CO 0.07 0.00 -0.50 0.00 -1.72 0.00 0.00 179.24 177.09 1ow6 h ALA 1031N 2.06 0.27 -0.79 3.45 0.00 -0.93 -2.24 119.26 121.09 1ow6 h ALA 1031Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1ow6 h ALA 1031Cb 0.96 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1ow6 h ALA 1031CO 0.00 0.45 0.33 -0.22 0.00 0.00 0.00 179.25 179.80 1ow6 h LYS 1032N 0.27 1.17 0.00 0.00 3.11 -1.25 -1.29 116.57 118.57 1ow6 h LYS 1032Ca -0.02 -0.20 -0.05 0.00 -2.81 0.00 0.00 60.65 57.57 1ow6 h LYS 1032Cb 1.13 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 32.15 1ow6 h LYS 1032CO 0.11 0.93 -0.23 -0.97 -2.81 0.00 0.00 179.45 176.48 1ow6 h ASN 1033N 1.14 0.00 -0.35 4.20 -0.73 -1.33 -2.08 115.58 116.43 1ow6 h ASN 1033Ca 0.26 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.26 1ow6 h ASN 1033Cb 0.19 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.78 1ow6 h ASN 1033CO -0.02 0.23 -0.45 0.25 -0.37 0.00 0.00 177.43 177.06 1ow6 h LEU 1034N 0.00 1.00 -0.33 0.34 5.85 -0.61 -2.08 115.31 119.48 1ow6 h LEU 1034Ca -0.00 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.28 1ow6 h LEU 1034Cb 0.48 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1ow6 h LEU 1034CO 0.03 1.29 0.08 0.25 -0.34 0.00 0.00 178.44 179.74 1ow6 h LEU 1035N 0.73 0.04 -0.39 2.25 6.46 -0.95 -1.99 115.31 121.46 1ow6 h LEU 1035Ca 0.04 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1ow6 h LEU 1035Cb 1.05 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 1ow6 h LEU 1035CO 0.11 0.06 0.25 0.44 -0.62 0.00 0.00 178.44 178.67 1ow6 h ASP 1036N 0.20 0.43 -0.67 1.25 5.19 -1.14 0.27 116.42 121.96 1ow6 h ASP 1036Ca 0.15 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1ow6 h ASP 1036Cb 0.16 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 1ow6 h ASP 1036CO -0.19 0.31 0.40 0.58 -3.12 0.00 0.00 179.24 177.22 1ow6 h VAL 1037N 0.52 1.20 0.00 -1.35 2.07 -1.21 -1.74 116.25 115.74 1ow6 h VAL 1037Ca 0.14 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 1ow6 h VAL 1037Cb -0.05 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1ow6 h VAL 1037CO -0.04 0.20 -0.55 0.40 0.02 0.00 0.00 177.57 177.61 1ow6 h ILE 1038N 0.91 1.39 -0.10 4.57 2.04 -0.76 -1.55 117.51 124.00 1ow6 h ILE 1038Ca 0.24 -1.89 -0.16 0.00 1.00 0.00 0.00 64.86 64.05 1ow6 h ILE 1038Cb -0.02 2.02 0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1ow6 h ILE 1038CO -0.04 0.54 -0.56 0.44 0.00 0.00 0.00 178.15 178.53 1ow6 h ASP 1039N 0.00 0.67 0.07 1.72 3.32 -0.26 -1.30 116.42 120.64 1ow6 h ASP 1039Ca -0.01 -0.65 -0.01 0.00 0.02 0.00 0.00 57.03 56.39 1ow6 h ASP 1039Cb 0.98 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 1ow6 h ASP 1039CO 0.07 1.21 -0.04 1.56 -1.72 0.00 0.00 179.24 180.33 1ow6 h GLN 1040N 0.17 0.00 0.09 3.56 1.08 -1.17 0.56 115.11 119.40 1ow6 h GLN 1040Ca -0.04 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.89 1ow6 h GLN 1040Cb 1.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 1ow6 h GLN 1040CO 0.12 0.04 -1.25 0.00 -0.95 0.00 0.00 178.83 176.78 1ow6 h ALA 1041N 1.96 0.22 -0.49 3.87 0.00 -1.10 -2.56 119.26 121.16 1ow6 h ALA 1041Ca -0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 54.91 53.90 1ow6 h ALA 1041Cb 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ow6 h ALA 1041CO 0.00 1.10 0.09 0.00 0.00 0.00 0.00 179.25 180.45 1ow6 h ARG 1042N 0.05 0.80 0.00 0.00 3.08 0.20 -2.25 114.38 116.25 1ow6 h ARG 1042Ca -0.13 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 1ow6 h ARG 1042Cb 1.93 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.88 1ow6 h ARG 1042CO 0.17 0.79 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.66 1ow6 h LEU 1043N 0.67 0.00 -0.19 3.04 3.38 0.03 -2.21 115.31 120.04 1ow6 h LEU 1043Ca 0.15 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 1ow6 h LEU 1043Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1ow6 h LEU 1043CO 0.01 0.13 -0.86 0.11 0.09 0.00 0.00 178.44 177.91 1ow6 h LYS 1044N 0.00 0.59 -0.14 1.13 1.57 -0.99 -2.11 116.57 116.62 1ow6 h LYS 1044Ca -0.00 -0.55 -0.22 0.00 -1.87 0.00 0.00 60.65 58.01 1ow6 h LYS 1044Cb 0.26 0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1ow6 h LYS 1044CO 0.02 1.17 -0.77 0.52 -0.57 0.00 0.00 179.45 179.81 1ow6 h MET 1045N 0.38 0.74 0.00 3.15 2.86 -1.26 -3.02 114.93 117.78 1ow6 h MET 1045Ca -0.07 -0.61 -0.04 0.00 -2.06 0.00 0.00 59.70 56.93 1ow6 h MET 1045Cb 1.49 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.27 1ow6 h MET 1045CO 0.16 1.22 -0.18 -0.07 1.06 0.00 0.00 176.91 179.10 1ow6 h LEU 1046N 0.51 0.00 -0.41 1.22 3.38 -1.50 -3.48 115.31 115.02 1ow6 h LEU 1046Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ow6 h LEU 1046Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1ow6 h LEU 1046CO 0.16 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.48 1ow6 n GLY 1047N -0.10 0.82 3.79 0.83 0.00 -0.99 -5.07 105.19 104.48 1ow6 n GLY 1047Ca -0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1ow6 n GLY 1047CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ow6 s GLN 1048N -1.23 3.77 0.00 1.61 0.74 -0.83 -5.05 119.66 118.66 1ow6 s GLN 1048Ca 0.00 1.43 0.32 0.00 0.05 0.00 0.00 55.36 57.16 1ow6 s GLN 1048Cb 0.00 -2.14 1.83 0.00 1.10 0.00 0.00 33.01 33.80 1ow6 s GLN 1048CO 0.00 -0.47 2.19 0.25 -0.55 0.00 0.00 175.29 176.70