#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fe8 s PRO 921 N 0.00 2.28 0.29 0.00 0.04 -1.26 -4.65 135.00 131.70 1fe8 s PRO 921 Ca 0.00 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 1fe8 s PRO 921 Cb 0.00 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 1fe8 s PRO 921 CO 0.00 -1.74 1.39 0.34 0.04 0.00 0.00 177.00 177.03 1fe8 s ASP 922 N -1.89 6.68 0.47 6.66 2.15 -1.26 -1.98 116.67 127.50 1fe8 s ASP 922 Ca 0.76 2.70 0.27 0.00 0.43 0.00 0.00 52.55 56.70 1fe8 s ASP 922 Cb -0.31 -2.64 1.00 0.00 -0.30 0.00 0.00 42.92 40.68 1fe8 s ASP 922 CO 0.43 -0.65 1.85 0.00 -0.17 0.00 0.00 175.17 176.64 1fe8 n SER 924 N -3.27 5.09 -4.53 0.00 3.41 -1.26 -4.85 113.62 108.21 1fe8 n SER 924 Ca 0.01 -2.60 -0.25 0.00 -0.26 0.00 0.00 58.87 55.77 1fe8 n SER 924 Cb 0.40 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 63.65 1fe8 n SER 924 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1fe8 s GLN 925 N -2.13 1.91 0.12 4.33 -1.52 -1.10 -4.88 119.66 116.40 1fe8 s GLN 925 Ca 0.53 -1.53 -0.35 0.00 -1.95 0.00 0.00 55.36 52.06 1fe8 s GLN 925 Cb 0.36 -1.98 -0.16 0.00 -0.22 0.00 0.00 33.01 31.02 1fe8 s GLN 925 CO 0.22 0.37 1.43 -2.30 -0.25 0.00 0.00 175.29 174.76 1fe8 n PRO 926 N -0.43 1.54 -3.64 2.91 -0.02 -1.13 -4.64 135.00 129.60 1fe8 n PRO 926 Ca -0.08 0.56 -0.18 0.00 -2.02 0.00 0.00 63.50 61.78 1fe8 n PRO 926 Cb 0.58 -2.24 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 1fe8 n PRO 926 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1fe8 s LEU 927 N 0.64 -0.02 -0.23 2.45 2.96 -0.40 -1.23 118.68 122.84 1fe8 s LEU 927 Ca 0.82 0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 54.78 1fe8 s LEU 927 Cb -0.84 0.20 -0.05 0.00 0.50 0.00 0.00 46.19 46.00 1fe8 s LEU 927 CO 0.44 -0.26 0.22 -1.81 -1.32 0.00 0.00 176.35 173.61 1fe8 s ASP 928 N 2.27 6.20 -0.02 3.68 1.01 0.09 -1.00 116.67 128.89 1fe8 s ASP 928 Ca 0.04 0.21 0.03 0.00 0.71 0.00 0.00 52.55 53.53 1fe8 s ASP 928 Cb -0.13 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1fe8 s ASP 928 CO -0.06 0.03 -0.10 0.54 0.21 0.00 0.00 175.17 175.79 1fe8 s VAL 929 N 1.10 0.83 -0.12 -1.27 0.11 -0.44 -1.88 120.40 118.73 1fe8 s VAL 929 Ca 0.10 -0.40 -0.02 0.00 -2.93 0.00 0.00 61.98 58.74 1fe8 s VAL 929 Cb -0.14 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1fe8 s VAL 929 CO 0.05 0.26 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.38 1fe8 s ILE 930 N 0.11 3.70 -0.38 7.04 1.01 -0.39 -1.75 121.20 130.55 1fe8 s ILE 930 Ca -0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 1fe8 s ILE 930 Cb -0.08 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.84 1fe8 s ILE 930 CO 0.00 0.53 0.22 -0.76 0.00 0.00 0.00 174.94 174.94 1fe8 s LEU 931 N -0.01 4.80 -0.65 2.97 1.43 -0.49 -0.68 118.68 126.05 1fe8 s LEU 931 Ca -0.00 -1.01 -0.15 0.00 -1.03 0.00 0.00 54.13 51.93 1fe8 s LEU 931 Cb -0.13 -2.04 0.17 0.00 0.03 0.00 0.00 46.19 44.21 1fe8 s LEU 931 CO 0.03 -0.40 0.60 -0.22 0.23 0.00 0.00 176.35 176.59 1fe8 s LEU 932 N 1.56 6.41 0.41 1.79 2.96 0.38 -1.40 118.68 130.79 1fe8 s LEU 932 Ca 0.02 -2.15 -0.23 0.00 -0.22 0.00 0.00 54.13 51.55 1fe8 s LEU 932 Cb -0.19 -2.21 -0.09 0.00 0.50 0.00 0.00 46.19 44.20 1fe8 s LEU 932 CO 0.07 -0.74 1.03 -0.76 -1.32 0.00 0.00 176.35 174.63 1fe8 s LEU 933 N 1.03 4.07 -0.63 -0.68 1.43 0.98 -2.00 118.68 122.88 1fe8 s LEU 933 Ca 0.09 1.97 -0.27 0.00 -1.03 0.00 0.00 54.13 54.89 1fe8 s LEU 933 Cb -0.22 -4.29 0.04 0.00 0.03 0.00 0.00 46.19 41.75 1fe8 s LEU 933 CO -0.02 -0.51 1.16 -0.62 0.23 0.00 0.00 176.35 176.59 1fe8 s ASP 934 N -1.72 6.32 -0.27 2.29 -1.08 -1.26 -1.65 116.67 119.30 1fe8 s ASP 934 Ca 0.60 -0.24 0.12 0.00 -0.52 0.00 0.00 52.55 52.51 1fe8 s ASP 934 Cb -0.19 -2.52 0.64 0.00 -1.46 0.00 0.00 42.92 39.38 1fe8 s ASP 934 CO 0.24 -1.54 1.62 0.61 0.52 0.00 0.00 175.17 176.62 1fe8 n GLY 935 N 5.19 4.01 3.84 2.66 0.00 0.30 -4.87 105.19 116.31 1fe8 n GLY 935 Ca 0.05 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1fe8 n GLY 935 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fe8 s SER 936 N -1.61 5.92 -0.01 1.61 1.04 -1.15 0.10 113.70 119.60 1fe8 s SER 936 Ca 0.49 1.59 0.00 0.00 0.48 0.00 0.00 55.95 58.51 1fe8 s SER 936 Cb 0.40 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 64.05 1fe8 s SER 936 CO 0.09 -1.08 0.78 -1.54 0.98 0.00 0.00 173.24 172.48 1fe8 n SER 937 N -2.55 2.07 0.00 7.02 3.41 -0.79 -4.39 113.62 118.39 1fe8 n SER 937 Ca 0.07 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1fe8 n SER 937 Cb 0.54 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1fe8 n SER 937 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1fe8 n SER 938 N 0.23 0.00 -2.40 4.04 2.88 -1.26 -4.87 113.62 112.23 1fe8 n SER 938 Ca 0.01 0.95 -0.03 0.00 -1.33 0.00 0.00 58.87 58.48 1fe8 n SER 938 Cb 0.41 -0.45 0.01 0.00 -0.75 0.00 0.00 64.21 63.42 1fe8 n SER 938 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1fe8 n PHE 939 N -2.07 -2.97 -1.98 0.66 3.72 -1.26 -5.10 117.46 108.46 1fe8 n PHE 939 Ca 0.00 -0.29 -0.32 0.00 -0.05 0.00 0.00 57.45 56.79 1fe8 n PHE 939 Cb 0.00 -0.08 0.02 0.00 -0.94 0.00 0.00 39.48 38.47 1fe8 n PHE 939 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1fe8 s PRO 940 N -2.44 3.26 0.37 -1.08 0.02 -1.26 -4.92 135.00 128.95 1fe8 s PRO 940 Ca 0.09 1.17 0.24 0.00 0.02 0.00 0.00 61.00 62.52 1fe8 s PRO 940 Cb -0.01 -2.03 1.30 0.00 0.02 0.00 0.00 34.50 33.79 1fe8 s PRO 940 CO 0.06 -0.86 1.72 0.00 -0.33 0.00 0.00 177.00 177.59 1fe8 h ALA 941 N 0.27 1.03 0.00 -1.55 0.00 -1.98 0.12 119.26 117.15 1fe8 h ALA 941 Ca -0.46 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1fe8 h ALA 941 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1fe8 h ALA 941 CO 0.57 -0.03 -0.14 0.66 0.00 0.00 0.00 179.25 180.32 1fe8 h SER 942 N 0.00 0.00 -0.22 0.00 4.64 -2.01 -2.68 113.55 113.28 1fe8 h SER 942 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1fe8 h SER 942 Cb 0.08 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1fe8 h SER 942 CO 0.00 0.14 -0.67 1.88 -0.87 0.00 0.00 176.83 177.31 1fe8 h TYR 943 N 0.00 1.09 -0.53 4.77 -1.99 -1.12 -2.76 116.97 116.43 1fe8 h TYR 943 Ca -0.00 -0.44 -0.03 0.00 2.00 0.00 0.00 58.73 60.26 1fe8 h TYR 943 Cb 0.61 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.12 1fe8 h TYR 943 CO 0.00 1.27 0.22 0.35 -0.00 0.00 0.00 178.16 180.01 1fe8 h PHE 944 N 0.60 0.76 -0.36 4.88 3.57 -1.59 -1.94 116.94 122.86 1fe8 h PHE 944 Ca -0.02 -0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.32 1fe8 h PHE 944 Cb 1.29 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1fe8 h PHE 944 CO 0.08 0.58 -0.30 -0.44 -2.23 0.00 0.00 178.31 176.00 1fe8 h ASP 945 N 0.76 0.79 0.00 0.41 3.45 -1.50 0.21 116.42 120.53 1fe8 h ASP 945 Ca 0.18 -0.32 0.00 0.00 0.43 0.00 0.00 57.03 57.33 1fe8 h ASP 945 Cb 0.13 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 1fe8 h ASP 945 CO -0.02 1.04 0.00 -0.62 -1.57 0.00 0.00 179.24 178.07 1fe8 n GLU 946 N -4.08 0.30 0.00 3.56 -0.58 -0.73 -0.80 120.64 118.31 1fe8 n GLU 946 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1fe8 n GLU 946 Cb 0.48 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 1fe8 n GLU 946 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1fe8 n LYS 948 N 0.70 0.00 -0.18 3.49 5.02 0.74 -1.43 118.16 126.50 1fe8 n LYS 948 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1fe8 n LYS 948 Cb 0.13 0.00 0.42 0.00 -0.02 0.00 0.00 35.03 35.55 1fe8 n LYS 948 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1fe8 h SER 949 N 0.00 0.55 0.01 4.39 0.02 -1.23 -0.17 113.55 117.13 1fe8 h SER 949 Ca 0.00 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1fe8 h SER 949 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1fe8 h SER 949 CO 0.00 0.32 -0.01 0.15 -1.14 0.00 0.00 176.83 176.16 1fe8 h PHE 950 N 0.61 -0.01 -0.35 3.45 3.57 -1.49 -1.00 116.94 121.71 1fe8 h PHE 950 Ca 0.35 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.92 1fe8 h PHE 950 Cb 0.53 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.21 1fe8 h PHE 950 CO -0.00 0.18 -0.09 0.00 -2.23 0.00 0.00 178.31 176.16 1fe8 h ALA 951 N 0.78 0.22 -0.40 2.41 0.00 -1.39 0.16 119.26 121.05 1fe8 h ALA 951 Ca -0.00 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1fe8 h ALA 951 Cb 0.20 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1fe8 h ALA 951 CO 0.00 -0.46 0.15 0.87 0.00 0.00 0.00 179.25 179.81 1fe8 h LYS 952 N -0.01 0.56 -0.12 0.00 1.57 -0.99 0.42 116.57 118.00 1fe8 h LYS 952 Ca 0.17 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.65 1fe8 h LYS 952 Cb 0.27 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1fe8 h LYS 952 CO -0.37 0.47 -0.81 0.00 -0.57 0.00 0.00 179.45 178.18 1fe8 h ALA 953 N 1.61 0.34 -0.50 3.86 0.00 -0.17 -0.82 119.26 123.58 1fe8 h ALA 953 Ca 0.14 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1fe8 h ALA 953 Cb 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1fe8 h ALA 953 CO -0.01 0.70 0.21 0.35 0.00 0.00 0.00 179.25 180.49 1fe8 h PHE 954 N 0.48 0.76 -0.63 0.00 3.04 -0.16 -2.29 116.94 118.15 1fe8 h PHE 954 Ca -0.06 -0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.76 1fe8 h PHE 954 Cb 1.43 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.69 1fe8 h PHE 954 CO 0.08 0.63 0.11 0.82 -2.02 0.00 0.00 178.31 177.93 1fe8 h ILE 955 N 0.67 1.26 -0.19 1.41 2.04 -0.87 0.68 117.51 122.51 1fe8 h ILE 955 Ca 0.17 -1.00 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 1fe8 h ILE 955 Cb 0.19 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1fe8 h ILE 955 CO -0.01 0.37 -0.17 0.28 0.00 0.00 0.00 178.15 178.62 1fe8 h SER 956 N 0.94 0.30 0.43 1.72 0.02 -0.95 -2.93 113.55 113.08 1fe8 h SER 956 Ca 0.19 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1fe8 h SER 956 Cb 0.42 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1fe8 h SER 956 CO 0.01 0.49 -1.09 0.29 -1.14 0.00 0.00 176.83 175.39 1fe8 n LYS 957 N -4.22 0.33 -2.03 3.45 5.02 -0.88 -4.95 118.16 114.89 1fe8 n LYS 957 Ca -0.00 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.91 1fe8 n LYS 957 Cb 0.31 -1.60 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 1fe8 n LYS 957 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fe8 s ALA 958 N -3.23 2.75 -1.32 7.82 0.00 0.22 -4.91 121.76 123.10 1fe8 s ALA 958 Ca 0.03 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.95 1fe8 s ALA 958 Cb 0.14 -3.46 0.14 0.00 0.00 0.00 0.00 23.12 19.94 1fe8 s ALA 958 CO 0.81 -1.06 1.92 -1.71 0.00 0.00 0.00 175.76 175.73 1fe8 n ASN 959 N -1.10 4.83 -4.83 0.00 4.05 -1.26 -4.98 115.26 111.97 1fe8 n ASN 959 Ca 0.11 -3.04 -0.32 0.00 0.45 0.00 0.00 54.58 51.77 1fe8 n ASN 959 Cb 0.48 -1.53 -0.02 0.00 1.23 0.00 0.00 39.78 39.94 1fe8 n ASN 959 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1fe8 s ILE 960 N 1.12 4.36 -3.33 -1.44 1.01 -1.26 -1.91 121.20 119.75 1fe8 s ILE 960 Ca 0.42 1.08 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1fe8 s ILE 960 Cb 0.10 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1fe8 s ILE 960 CO -0.01 -0.70 0.00 0.61 0.00 0.00 0.00 174.94 174.84 1fe8 n GLY 961 N -1.56 0.98 3.66 6.18 0.00 -1.24 -4.80 105.19 108.41 1fe8 n GLY 961 Ca 0.07 -2.08 -0.47 0.00 0.00 0.00 0.00 46.02 43.55 1fe8 n GLY 961 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fe8 n PRO 962 N -1.65 2.04 -1.10 1.61 -0.02 -1.26 -1.79 135.00 132.83 1fe8 n PRO 962 Ca 0.00 0.74 -0.03 0.00 -2.02 0.00 0.00 63.50 62.18 1fe8 n PRO 962 Cb 0.00 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 30.97 1fe8 n PRO 962 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1fe8 n ARG 963 N 3.51 -1.62 0.00 -0.52 5.12 -1.26 -4.90 116.66 116.98 1fe8 n ARG 963 Ca 0.17 0.56 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 1fe8 n ARG 963 Cb 0.28 -4.84 0.00 0.00 -1.16 0.00 0.00 32.46 26.74 1fe8 n ARG 963 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1fe8 n LEU 964 N -0.38 0.00 -4.71 0.55 4.77 -0.74 -2.82 117.00 113.68 1fe8 n LEU 964 Ca -0.03 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.58 1fe8 n LEU 964 Cb 0.46 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1fe8 n LEU 964 CO 0.05 0.00 0.00 -0.89 -1.33 0.00 0.00 177.39 175.22 1fe8 s THR 965 N 3.70 5.28 -0.11 -5.08 2.01 -0.80 -1.28 115.64 119.36 1fe8 s THR 965 Ca 0.00 0.57 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 1fe8 s THR 965 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1fe8 s THR 965 CO 0.00 0.35 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.65 1fe8 s GLN 966 N 0.73 3.18 -0.03 4.92 0.74 -0.17 -3.61 119.66 125.41 1fe8 s GLN 966 Ca 0.17 -0.52 0.06 0.00 0.05 0.00 0.00 55.36 55.11 1fe8 s GLN 966 Cb -0.13 -2.75 -0.01 0.00 1.10 0.00 0.00 33.01 31.21 1fe8 s GLN 966 CO 0.05 0.48 -0.21 0.08 -0.55 0.00 0.00 175.29 175.14 1fe8 s VAL 967 N -0.30 1.71 0.08 1.34 1.01 -1.26 -1.33 120.40 121.65 1fe8 s VAL 967 Ca 0.05 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1fe8 s VAL 967 Cb -0.13 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1fe8 s VAL 967 CO 0.02 0.48 -0.16 -0.94 0.00 0.00 0.00 175.10 174.51 1fe8 s SER 968 N -0.29 1.91 -0.08 3.32 1.04 -0.72 -4.75 113.70 114.14 1fe8 s SER 968 Ca 0.03 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.85 1fe8 s SER 968 Cb -0.10 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.95 1fe8 s SER 968 CO 0.01 -0.04 -0.18 -0.69 0.98 0.00 0.00 173.24 173.32 1fe8 s VAL 969 N -1.24 1.56 0.22 5.02 1.01 0.11 -1.40 120.40 125.68 1fe8 s VAL 969 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1fe8 s VAL 969 Cb -0.10 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 1fe8 s VAL 969 CO 0.03 0.45 -0.04 -0.76 0.00 0.00 0.00 175.10 174.78 1fe8 s LEU 970 N 0.51 2.32 -0.02 3.92 1.02 -0.50 -0.93 118.68 125.00 1fe8 s LEU 970 Ca -0.16 -1.17 -0.01 0.00 0.02 0.00 0.00 54.13 52.81 1fe8 s LEU 970 Cb -0.17 -0.36 0.01 0.00 0.02 0.00 0.00 46.19 45.69 1fe8 s LEU 970 CO 0.06 -0.44 0.05 0.00 0.02 0.00 0.00 176.35 176.04 1fe8 s GLN 971 N -3.81 0.04 0.23 1.70 -2.07 -0.54 -0.01 119.66 115.20 1fe8 s GLN 971 Ca 0.26 0.09 0.08 0.00 -1.82 0.00 0.00 55.36 53.97 1fe8 s GLN 971 Cb 0.04 -0.02 -0.04 0.00 -1.09 0.00 0.00 33.01 31.91 1fe8 s GLN 971 CO 0.07 -0.03 0.08 1.52 -1.32 0.00 0.00 175.29 175.62 1fe8 s TYR 972 N 0.21 2.93 0.00 9.60 -0.85 -0.66 -1.21 117.35 127.37 1fe8 s TYR 972 Ca -0.02 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.39 1fe8 s TYR 972 Cb -0.02 -1.34 0.00 0.00 0.38 0.00 0.00 41.96 40.98 1fe8 s TYR 972 CO -0.01 0.55 0.00 0.41 -1.52 0.00 0.00 175.55 174.99 1fe8 n GLY 973 N -0.78 -0.29 0.37 5.49 0.00 -1.26 -0.54 105.19 108.18 1fe8 n GLY 973 Ca -0.08 0.39 0.14 0.00 0.00 0.00 0.00 46.02 46.48 1fe8 n GLY 973 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1fe8 h SER 974 N 0.00 0.41 -5.16 1.61 0.87 -1.08 -3.40 113.55 106.81 1fe8 h SER 974 Ca 0.00 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1fe8 h SER 974 Cb 0.00 -0.06 -0.11 0.00 -0.44 0.00 0.00 62.40 61.79 1fe8 h SER 974 CO 0.00 0.22 -0.09 0.27 -0.53 0.00 0.00 176.83 176.70 1fe8 s ILE 975 N -5.43 0.04 -0.23 2.23 -4.36 -1.26 -4.95 121.20 107.24 1fe8 s ILE 975 Ca -0.08 -1.04 -0.16 0.00 -0.26 0.00 0.00 60.65 59.11 1fe8 s ILE 975 Cb 0.21 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1fe8 s ILE 975 CO 0.76 -0.16 0.41 -0.89 0.24 0.00 0.00 174.94 175.30 1fe8 s THR 976 N -3.92 5.18 0.07 8.37 2.01 -1.26 -4.42 115.64 121.67 1fe8 s THR 976 Ca 0.13 0.69 0.09 0.00 0.31 0.00 0.00 61.69 62.91 1fe8 s THR 976 Cb 0.00 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1fe8 s THR 976 CO -0.01 0.21 -0.24 0.28 -0.69 0.00 0.00 174.62 174.17 1fe8 s THR 977 N 1.64 1.94 -0.33 -0.82 -1.32 -0.35 -4.99 115.64 111.41 1fe8 s THR 977 Ca 0.18 -1.41 -0.12 0.00 -1.21 0.00 0.00 61.69 59.13 1fe8 s THR 977 Cb -0.15 -1.69 -0.02 0.00 -1.51 0.00 0.00 72.50 69.13 1fe8 s THR 977 CO 0.09 0.21 0.23 -0.63 -2.21 0.00 0.00 174.62 172.30 1fe8 s ILE 978 N -0.89 5.20 -0.13 5.08 1.01 -1.26 -1.47 121.20 128.73 1fe8 s ILE 978 Ca 0.10 -0.22 0.19 0.00 0.00 0.00 0.00 60.65 60.72 1fe8 s ILE 978 Cb -0.10 -3.66 -0.28 0.00 0.01 0.00 0.00 42.46 38.44 1fe8 s ILE 978 CO 0.03 0.01 0.26 0.47 0.00 0.00 0.00 174.94 175.71 1fe8 n ASP 979 N 5.09 0.04 -3.64 3.58 8.00 -0.10 -4.74 116.55 124.77 1fe8 n ASP 979 Ca -0.13 0.02 -0.29 0.00 0.71 0.00 0.00 54.79 55.09 1fe8 n ASP 979 Cb 0.50 1.34 -0.14 0.00 -0.02 0.00 0.00 41.12 42.79 1fe8 n ASP 979 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1fe8 s VAL 980 N -2.89 0.66 0.93 2.53 1.01 -0.74 -4.94 120.40 116.96 1fe8 s VAL 980 Ca -0.09 -1.54 -0.14 0.00 0.00 0.00 0.00 61.98 60.21 1fe8 s VAL 980 Cb 0.09 -1.50 0.16 0.00 0.00 0.00 0.00 36.38 35.13 1fe8 s VAL 980 CO 0.86 -0.78 1.18 -2.16 0.00 0.00 0.00 175.10 174.20 1fe8 s PRO 981 N 1.38 0.94 0.81 2.72 0.04 -1.26 -0.72 135.00 138.92 1fe8 s PRO 981 Ca 0.12 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.13 1fe8 s PRO 981 Cb -0.19 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.59 1fe8 s PRO 981 CO -0.18 -2.29 1.12 -1.58 0.04 0.00 0.00 177.00 174.11 1fe8 s TRP 982 N -3.43 2.21 0.00 0.56 0.23 -1.26 -3.83 118.94 113.42 1fe8 s TRP 982 Ca 0.66 1.64 0.00 0.00 -2.03 0.00 0.00 56.10 56.38 1fe8 s TRP 982 Cb -0.11 -3.18 0.00 0.00 0.03 0.00 0.00 33.47 30.21 1fe8 s TRP 982 CO 0.53 -2.19 0.00 0.09 0.96 0.00 0.00 176.95 176.34 1fe8 n ASN 983 N -3.66 0.00 -4.54 2.95 5.03 -1.26 -4.93 115.26 108.85 1fe8 n ASN 983 Ca 0.10 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.21 1fe8 n ASN 983 Cb 0.52 -0.45 0.11 0.00 -1.02 0.00 0.00 39.78 38.94 1fe8 n ASN 983 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1fe8 n VAL 984 N -1.97 1.45 -1.72 2.41 0.24 -1.25 -4.72 118.33 112.77 1fe8 n VAL 984 Ca 0.00 -0.27 -0.62 0.00 -2.04 0.00 0.00 64.34 61.40 1fe8 n VAL 984 Cb 0.00 -0.89 -0.09 0.00 -1.47 0.00 0.00 33.84 31.39 1fe8 n VAL 984 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1fe8 n VAL 985 N -3.04 0.14 -0.83 3.34 0.31 -1.26 -4.77 118.33 112.22 1fe8 n VAL 985 Ca 0.11 -0.02 -0.22 0.00 -0.01 0.00 0.00 64.34 64.19 1fe8 n VAL 985 Cb 0.51 -0.81 -0.04 0.00 -0.91 0.00 0.00 33.84 32.59 1fe8 n VAL 985 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1fe8 n PRO 986 N 4.46 2.24 -4.21 5.55 -0.04 -1.26 -4.64 135.00 137.09 1fe8 n PRO 986 Ca 0.28 -1.43 -0.33 0.00 -0.04 0.00 0.00 63.50 61.98 1fe8 n PRO 986 Cb 0.04 -2.39 -0.16 0.00 -0.04 0.00 0.00 33.50 30.95 1fe8 n PRO 986 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1fe8 s GLU 987 N 2.80 3.04 0.29 0.54 0.41 -1.26 -4.70 118.70 119.81 1fe8 s GLU 987 Ca 0.46 -0.81 0.04 0.00 -0.41 0.00 0.00 54.97 54.25 1fe8 s GLU 987 Cb 0.14 -2.59 0.69 0.00 -1.78 0.00 0.00 34.13 30.59 1fe8 s GLU 987 CO -0.03 -0.16 1.75 0.87 -0.49 0.00 0.00 175.26 177.19 1fe8 h LYS 988 N 7.82 0.59 -0.68 1.61 1.57 -1.93 0.23 116.57 125.79 1fe8 h LYS 988 Ca -0.43 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.39 1fe8 h LYS 988 Cb 1.15 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.27 1fe8 h LYS 988 CO 0.62 0.39 0.37 0.00 -0.57 0.00 0.00 179.45 180.26 1fe8 h ALA 989 N 1.64 0.92 -0.48 3.86 0.00 -1.96 0.38 119.26 123.62 1fe8 h ALA 989 Ca 0.55 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.39 1fe8 h ALA 989 Cb 0.90 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1fe8 h ALA 989 CO -0.42 0.02 -0.07 1.25 0.00 0.00 0.00 179.25 180.03 1fe8 h HIS 990 N 0.66 0.99 0.04 0.00 -0.00 -0.96 -0.29 115.15 115.60 1fe8 h HIS 990 Ca 0.31 -0.20 -0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1fe8 h HIS 990 Cb 0.24 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1fe8 h HIS 990 CO -0.09 0.96 -0.02 -0.07 -0.00 0.00 0.00 177.93 178.71 1fe8 h LEU 991 N 0.74 -0.05 -1.16 0.26 3.38 -0.22 -1.81 115.31 116.46 1fe8 h LEU 991 Ca 0.13 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1fe8 h LEU 991 Cb 0.61 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1fe8 h LEU 991 CO 0.04 0.25 0.58 -0.07 0.09 0.00 0.00 178.44 179.33 1fe8 h LEU 992 N -0.34 0.90 -1.64 1.67 4.07 -0.26 0.30 115.31 120.01 1fe8 h LEU 992 Ca -0.01 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1fe8 h LEU 992 Cb 0.31 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1fe8 h LEU 992 CO 0.01 0.58 -0.20 -1.28 -1.08 0.00 0.00 178.44 176.47 1fe8 h SER 993 N 1.02 0.00 1.04 -0.43 0.87 -0.82 -0.83 113.55 114.40 1fe8 h SER 993 Ca 0.38 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.78 1fe8 h SER 993 Cb 0.18 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1fe8 h SER 993 CO -0.14 0.20 -1.02 -0.07 -0.53 0.00 0.00 176.83 175.27 1fe8 h LEU 994 N 0.00 0.00 -0.18 2.23 3.38 -0.12 -3.30 115.31 117.32 1fe8 h LEU 994 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1fe8 h LEU 994 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1fe8 h LEU 994 CO 0.03 0.67 -0.30 0.58 0.09 0.00 0.00 178.44 179.50 1fe8 h VAL 995 N 0.00 1.34 -0.78 1.22 2.07 -0.47 -3.16 116.25 116.47 1fe8 h VAL 995 Ca -0.09 -1.53 0.19 0.00 0.82 0.00 0.00 66.70 66.09 1fe8 h VAL 995 Cb 1.58 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 33.19 1fe8 h VAL 995 CO 0.07 0.47 0.53 0.44 0.02 0.00 0.00 177.57 179.10 1fe8 h ASP 996 N 0.18 0.22 0.00 0.57 3.32 -1.26 -3.45 116.42 116.01 1fe8 h ASP 996 Ca 0.01 0.02 -0.62 0.00 0.02 0.00 0.00 57.03 56.46 1fe8 h ASP 996 Cb 0.89 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.43 1fe8 h ASP 996 CO 0.07 0.10 2.87 0.52 -1.72 0.00 0.00 179.24 181.08 1fe8 n VAL 997 N -4.42 2.85 0.00 -1.35 0.31 -1.20 -5.12 118.33 109.40 1fe8 n VAL 997 Ca 0.16 -2.17 0.00 0.00 -0.01 0.00 0.00 64.34 62.32 1fe8 n VAL 997 Cb 0.69 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1fe8 n VAL 997 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fe8 n GLN 999 N 5.65 0.00 -1.59 5.55 6.02 -1.26 -5.15 117.38 126.60 1fe8 n GLN 999 Ca 0.54 0.00 -0.50 0.00 -0.01 0.00 0.00 57.00 57.03 1fe8 n GLN 999 Cb 0.32 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.53 1fe8 n GLN 999 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1fe8 n ARG 1000N -0.09 1.24 0.04 -1.09 0.63 -1.26 -4.88 116.66 111.25 1fe8 n ARG 1000Ca 0.00 0.44 -0.05 0.00 -0.92 0.00 0.00 57.85 57.33 1fe8 n ARG 1000Cb 0.00 -2.04 -0.10 0.00 0.45 0.00 0.00 32.46 30.78 1fe8 n ARG 1000CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1fe8 h GLU 1001N 4.14 0.00 0.00 -0.14 4.11 -1.91 -3.51 114.58 117.27 1fe8 h GLU 1001Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1fe8 h GLU 1001Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1fe8 h GLU 1001CO 0.75 0.64 0.00 0.41 0.07 0.00 0.00 179.01 180.88 1fe8 n GLY 1002N 1.40 -1.45 0.00 1.06 0.00 0.29 -4.82 105.19 101.67 1fe8 n GLY 1002Ca -0.07 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1fe8 n GLY 1002CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fe8 n GLY 1003N -1.42 -0.34 3.86 -0.02 0.00 -1.26 -0.68 105.19 105.33 1fe8 n GLY 1003Ca 0.00 -2.25 -0.30 0.00 0.00 0.00 0.00 46.02 43.47 1fe8 n GLY 1003CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fe8 s PRO 1004N -0.30 2.23 -1.19 1.61 0.04 -1.26 -1.89 135.00 134.24 1fe8 s PRO 1004Ca 0.00 0.38 -0.10 0.00 0.04 0.00 0.00 61.00 61.32 1fe8 s PRO 1004Cb 0.00 -1.96 0.21 0.00 0.04 0.00 0.00 34.50 32.80 1fe8 s PRO 1004CO 0.00 -1.46 1.48 0.43 0.04 0.00 0.00 177.00 177.49 1fe8 n SER 1005N -3.28 5.44 -3.93 6.66 7.64 -1.26 -4.24 113.62 120.65 1fe8 n SER 1005Ca 0.07 -3.09 -0.43 0.00 1.01 0.00 0.00 58.87 56.44 1fe8 n SER 1005Cb 0.58 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1fe8 n SER 1005CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fe8 n GLN 1006N 3.91 3.61 -0.06 1.43 6.02 -1.26 -1.51 117.38 129.52 1fe8 n GLN 1006Ca 0.33 -3.57 0.02 0.00 -0.01 0.00 0.00 57.00 53.76 1fe8 n GLN 1006Cb 0.39 -2.93 0.34 0.00 1.02 0.00 0.00 30.24 29.05 1fe8 n GLN 1006CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1fe8 h ILE 1007N 3.83 1.16 -0.18 5.09 2.04 -1.90 -2.57 117.51 124.98 1fe8 h ILE 1007Ca 0.38 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1fe8 h ILE 1007Cb 0.65 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1fe8 h ILE 1007CO 1.58 0.18 0.08 1.23 0.00 0.00 0.00 178.15 181.21 1fe8 h GLY 1008N 0.76 0.28 0.58 5.37 0.00 -1.78 -1.09 103.07 107.19 1fe8 h GLY 1008Ca 0.17 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.41 1fe8 h GLY 1008CO -0.03 0.14 0.14 -1.80 0.00 0.00 0.00 176.54 174.99 1fe8 h ASP 1009N 0.14 0.13 -0.06 0.19 3.58 -1.77 -0.73 116.42 117.90 1fe8 h ASP 1009Ca 0.06 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.57 1fe8 h ASP 1009Cb 0.15 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1fe8 h ASP 1009CO -0.01 0.11 -0.00 0.00 -2.88 0.00 0.00 179.24 176.45 1fe8 h ALA 1010N 1.29 0.05 -0.09 -0.78 0.00 -1.16 -0.37 119.26 118.20 1fe8 h ALA 1010Ca 0.20 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1fe8 h ALA 1010Cb 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1fe8 h ALA 1010CO -0.22 -0.48 -0.16 1.25 0.00 0.00 0.00 179.25 179.64 1fe8 h LEU 1011N 0.02 0.13 -0.00 0.00 5.85 -0.97 0.66 115.31 120.99 1fe8 h LEU 1011Ca 0.03 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fe8 h LEU 1011Cb 0.04 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1fe8 h LEU 1011CO -0.05 0.31 0.00 1.23 -0.34 0.00 0.00 178.44 179.59 1fe8 h GLY 1012N 0.69 0.01 0.72 3.75 0.00 -0.45 -1.11 103.07 106.67 1fe8 h GLY 1012Ca 0.03 -0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.41 1fe8 h GLY 1012CO 0.02 0.00 0.37 -2.75 0.00 0.00 0.00 176.54 174.19 1fe8 h PHE 1013N -0.21 0.68 -0.79 5.60 3.04 -0.53 -2.16 116.94 122.57 1fe8 h PHE 1013Ca 0.00 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 1fe8 h PHE 1013Cb 0.21 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 38.48 1fe8 h PHE 1013CO -0.00 0.34 0.37 0.00 -2.02 0.00 0.00 178.31 176.99 1fe8 h ALA 1014N 1.33 1.17 -0.55 2.41 0.00 -0.67 -1.35 119.26 121.60 1fe8 h ALA 1014Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1fe8 h ALA 1014Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1fe8 h ALA 1014CO -0.17 0.63 0.08 0.28 0.00 0.00 0.00 179.25 180.07 1fe8 h VAL 1015N 1.12 1.25 -0.39 0.00 2.07 -0.59 -0.51 116.25 119.21 1fe8 h VAL 1015Ca 0.27 -0.97 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 1fe8 h VAL 1015Cb 0.12 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1fe8 h VAL 1015CO -0.03 0.35 -0.12 0.03 0.02 0.00 0.00 177.57 177.82 1fe8 h ARG 1016N 0.80 0.68 -0.41 1.57 3.08 -1.12 -2.50 114.38 116.49 1fe8 h ARG 1016Ca 0.17 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1fe8 h ARG 1016Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1fe8 h ARG 1016CO 0.01 0.78 -0.28 -0.92 -1.07 0.00 0.00 179.97 178.50 1fe8 h TYR 1017N 0.62 1.01 0.00 3.04 3.20 -0.93 -2.36 116.97 121.55 1fe8 h TYR 1017Ca 0.11 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1fe8 h TYR 1017Cb 0.57 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1fe8 h TYR 1017CO 0.03 1.04 0.00 -0.07 -1.64 0.00 0.00 178.16 177.52 1fe8 h LEU 1018N 0.74 0.00 -3.06 2.82 3.38 -0.87 -3.03 115.31 115.29 1fe8 h LEU 1018Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1fe8 h LEU 1018Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1fe8 h LEU 1018CO 0.07 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.95 1fe8 n THR 1019N -2.69 1.67 -3.42 0.22 -2.24 -0.96 -4.72 114.28 102.13 1fe8 n THR 1019Ca 0.01 -1.66 -0.44 0.00 -2.27 0.00 0.00 64.05 59.69 1fe8 n THR 1019Cb 0.26 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 1fe8 n THR 1019CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1fe8 s SER 1020N -1.86 6.16 0.00 3.42 0.15 -0.91 -5.02 113.70 115.63 1fe8 s SER 1020Ca 0.27 -2.21 -0.01 0.00 0.70 0.00 0.00 55.95 54.70 1fe8 s SER 1020Cb 0.21 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 62.37 1fe8 s SER 1020CO 0.07 -0.68 0.85 1.21 1.20 0.00 0.00 173.24 175.89 1fe8 n GLU 1021N 4.58 0.37 0.00 5.44 2.13 -1.26 -2.30 120.64 129.61 1fe8 n GLU 1021Ca -0.01 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1fe8 n GLU 1021Cb 0.42 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.65 1fe8 n GLU 1021CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1fe8 n HIS 1023N 2.28 0.00 0.00 4.31 8.25 -1.26 -4.17 115.22 124.63 1fe8 n HIS 1023Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1fe8 n HIS 1023Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1fe8 n HIS 1023CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fe8 n GLY 1024N 0.00 2.33 3.76 -1.41 0.00 -1.17 -4.59 105.19 104.10 1fe8 n GLY 1024Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1fe8 n GLY 1024CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fe8 s ALA 1025N -2.09 2.83 -0.07 4.61 0.00 -0.97 -4.70 121.76 121.36 1fe8 s ALA 1025Ca 0.00 1.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.94 1fe8 s ALA 1025Cb 0.00 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1fe8 s ALA 1025CO 0.00 -1.00 0.23 1.03 0.00 0.00 0.00 175.76 176.02 1fe8 s ARG 1026N -2.91 3.59 0.17 0.00 0.52 -1.26 -4.15 118.95 114.90 1fe8 s ARG 1026Ca 0.69 0.03 -0.30 0.00 -0.52 0.00 0.00 55.73 55.63 1fe8 s ARG 1026Cb -0.33 -3.19 -0.08 0.00 0.52 0.00 0.00 34.95 31.88 1fe8 s ARG 1026CO 0.38 0.74 1.19 -2.14 0.02 0.00 0.00 175.30 175.50 1fe8 s PRO 1027N -1.11 4.49 0.00 3.54 0.02 -1.26 -3.09 135.00 137.60 1fe8 s PRO 1027Ca 0.19 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1fe8 s PRO 1027Cb -0.13 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1fe8 s PRO 1027CO 0.08 -0.10 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 1fe8 n GLY 1028N 2.34 1.91 3.81 0.52 0.00 -1.26 -5.01 105.19 107.49 1fe8 n GLY 1028Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1fe8 n GLY 1028CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fe8 s ALA 1029N -3.27 2.96 0.48 4.61 0.00 -1.18 -4.94 121.76 120.41 1fe8 s ALA 1029Ca 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.26 1fe8 s ALA 1029Cb 0.00 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 1fe8 s ALA 1029CO 0.00 -0.10 1.13 -1.12 0.00 0.00 0.00 175.76 175.67 1fe8 s SER 1030N -2.06 6.12 -0.02 0.00 0.01 -0.37 -4.81 113.70 112.58 1fe8 s SER 1030Ca 0.64 2.19 0.05 0.00 1.31 0.00 0.00 55.95 60.15 1fe8 s SER 1030Cb -0.13 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 1fe8 s SER 1030CO 0.17 -0.94 -0.18 -0.54 0.41 0.00 0.00 173.24 172.16 1fe8 s LYS 1031N -2.91 2.33 -0.14 12.44 -0.14 -1.26 -0.73 119.74 129.33 1fe8 s LYS 1031Ca 0.66 -0.81 -0.22 0.00 -1.36 0.00 0.00 55.97 54.24 1fe8 s LYS 1031Cb -0.25 -2.27 0.06 0.00 -1.68 0.00 0.00 37.83 33.69 1fe8 s LYS 1031CO 0.30 0.59 0.57 0.00 -0.76 0.00 0.00 175.35 176.05 1fe8 s ALA 1032N -0.75 -1.43 -0.05 5.17 0.00 -0.79 -2.01 121.76 121.91 1fe8 s ALA 1032Ca 0.12 1.34 -0.00 0.00 0.00 0.00 0.00 51.96 53.41 1fe8 s ALA 1032Cb -0.10 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.53 1fe8 s ALA 1032CO 0.01 -0.30 -0.01 0.54 0.00 0.00 0.00 175.76 176.01 1fe8 s VAL 1033N -0.39 0.30 -0.27 0.00 0.11 -0.22 -1.26 120.40 118.67 1fe8 s VAL 1033Ca -0.05 0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 58.97 1fe8 s VAL 1033Cb -0.03 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1fe8 s VAL 1033CO 0.04 0.20 0.15 -0.69 -3.33 0.00 0.00 175.10 171.47 1fe8 s VAL 1034N 1.39 5.00 -0.17 2.04 1.01 0.14 -0.77 120.40 129.06 1fe8 s VAL 1034Ca -0.04 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1fe8 s VAL 1034Cb -0.13 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1fe8 s VAL 1034CO -0.02 0.29 -0.14 -0.51 0.00 0.00 0.00 175.10 174.71 1fe8 s ILE 1035N 1.65 2.69 -0.04 2.22 2.07 -0.45 -0.47 121.20 128.87 1fe8 s ILE 1035Ca 0.07 -0.75 -0.23 0.00 -1.41 0.00 0.00 60.65 58.32 1fe8 s ILE 1035Cb -0.16 -2.15 -0.04 0.00 0.13 0.00 0.00 42.46 40.24 1fe8 s ILE 1035CO 0.08 0.51 0.70 -0.76 -1.91 0.00 0.00 174.94 173.56 1fe8 s LEU 1036N 0.96 4.36 -0.07 8.50 1.43 -0.84 -0.72 118.68 132.29 1fe8 s LEU 1036Ca -0.02 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1fe8 s LEU 1036Cb -0.15 -3.10 0.02 0.00 0.03 0.00 0.00 46.19 43.00 1fe8 s LEU 1036CO -0.02 -0.06 -0.05 -0.69 0.23 0.00 0.00 176.35 175.75 1fe8 s VAL 1037N 0.51 0.70 0.00 -1.59 1.01 -0.46 -4.04 120.40 116.52 1fe8 s VAL 1037Ca 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1fe8 s VAL 1037Cb -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1fe8 s VAL 1037CO 0.19 0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.92 1fe8 n THR 1038N 4.40 0.00 -4.24 3.92 -2.24 -1.26 0.33 114.28 115.18 1fe8 n THR 1038Ca -0.19 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.04 1fe8 n THR 1038Cb 0.51 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.60 1fe8 n THR 1038CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fe8 s ASP 1039N -0.96 0.56 0.27 3.42 2.15 -1.26 -3.72 116.67 117.13 1fe8 s ASP 1039Ca 0.00 -1.41 -0.29 0.00 0.43 0.00 0.00 52.55 51.28 1fe8 s ASP 1039Cb 0.00 0.33 -0.09 0.00 -0.30 0.00 0.00 42.92 42.85 1fe8 s ASP 1039CO 0.00 -0.82 1.00 0.68 -0.17 0.00 0.00 175.17 175.86 1fe8 s VAL 1040N -4.00 3.88 0.05 1.11 -7.23 -1.04 -4.44 120.40 108.73 1fe8 s VAL 1040Ca 0.39 1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 62.08 1fe8 s VAL 1040Cb 0.07 -4.14 -0.06 0.00 0.56 0.00 0.00 36.38 32.81 1fe8 s VAL 1040CO 0.13 0.39 1.28 -0.55 -0.31 0.00 0.00 175.10 176.04 1fe8 s SER 1041N -1.15 6.98 0.29 4.85 0.15 -1.26 -4.75 113.70 118.80 1fe8 s SER 1041Ca 0.44 2.08 0.14 0.00 0.70 0.00 0.00 55.95 59.31 1fe8 s SER 1041Cb -0.27 -2.57 0.36 0.00 -1.71 0.00 0.00 66.02 61.83 1fe8 s SER 1041CO 0.34 -0.57 1.59 -0.37 1.20 0.00 0.00 173.24 175.42 1fe8 h VAL 1042N 4.60 1.16 -1.95 4.45 -1.51 -1.65 -3.45 116.25 117.89 1fe8 h VAL 1042Ca -0.40 -2.08 -0.51 0.00 -1.23 0.00 0.00 66.70 62.48 1fe8 h VAL 1042Cb 1.20 2.20 -0.05 0.00 -2.13 0.00 0.00 31.29 32.51 1fe8 h VAL 1042CO 0.85 0.54 -0.50 1.51 -1.23 0.00 0.00 177.57 178.74 1fe8 s ASP 1043N -6.59 5.16 0.46 4.19 1.47 -1.26 -5.06 116.67 115.03 1fe8 s ASP 1043Ca 0.00 -0.51 -0.23 0.00 1.18 0.00 0.00 52.55 52.99 1fe8 s ASP 1043Cb 0.11 -1.00 -0.07 0.00 -0.34 0.00 0.00 42.92 41.61 1fe8 s ASP 1043CO 0.74 -0.25 1.18 -0.55 0.68 0.00 0.00 175.17 176.96 1fe8 s SER 1044N -3.91 6.15 0.00 2.11 0.15 -1.26 -4.46 113.70 112.48 1fe8 s SER 1044Ca 0.38 2.34 0.04 0.00 0.70 0.00 0.00 55.95 59.41 1fe8 s SER 1044Cb -0.06 -2.61 0.07 0.00 -1.71 0.00 0.00 66.02 61.72 1fe8 s SER 1044CO 0.25 -0.93 0.86 1.33 1.20 0.00 0.00 173.24 175.95 1fe8 n VAL 1045N -0.46 0.50 0.20 4.45 0.24 -1.26 -4.11 118.33 117.90 1fe8 n VAL 1045Ca 0.07 -0.75 -0.14 0.00 -2.04 0.00 0.00 64.34 61.48 1fe8 n VAL 1045Cb 0.48 0.79 -0.08 0.00 -1.47 0.00 0.00 33.84 33.56 1fe8 n VAL 1045CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1fe8 h ASP 1046N 0.76 -0.43 0.02 -1.34 5.19 -1.94 -0.32 116.42 118.36 1fe8 h ASP 1046Ca 0.00 -0.11 0.02 0.00 -0.62 0.00 0.00 57.03 56.32 1fe8 h ASP 1046Cb 0.38 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1fe8 h ASP 1046CO 0.00 -0.12 -0.11 0.00 -3.12 0.00 0.00 179.24 175.88 1fe8 h ALA 1047N -0.23 -0.15 -0.30 3.45 0.00 -1.99 -0.00 119.26 120.04 1fe8 h ALA 1047Ca -0.05 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1fe8 h ALA 1047Cb 0.51 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1fe8 h ALA 1047CO 0.08 -0.61 0.17 0.00 0.00 0.00 0.00 179.25 178.89 1fe8 h ALA 1048N 0.74 0.37 -0.93 0.00 0.00 -1.85 0.18 119.26 117.77 1fe8 h ALA 1048Ca 0.03 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1fe8 h ALA 1048Cb 0.24 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1fe8 h ALA 1048CO -0.10 -0.21 0.61 0.00 0.00 0.00 0.00 179.25 179.55 1fe8 h ALA 1049N 1.14 1.45 -0.28 0.00 0.00 -0.80 -1.04 119.26 119.73 1fe8 h ALA 1049Ca 0.12 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1fe8 h ALA 1049Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1fe8 h ALA 1049CO -0.07 0.43 -0.46 0.22 0.00 0.00 0.00 179.25 179.38 1fe8 h ASP 1050N 1.11 0.79 -0.10 0.00 3.58 -0.20 -2.43 116.42 119.17 1fe8 h ASP 1050Ca 0.38 -0.38 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1fe8 h ASP 1050Cb 0.11 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1fe8 h ASP 1050CO -0.13 1.12 -0.05 0.00 -2.88 0.00 0.00 179.24 177.30 1fe8 h ALA 1051N 0.90 1.50 -0.19 -0.78 0.00 0.20 -1.34 119.26 119.56 1fe8 h ALA 1051Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1fe8 h ALA 1051Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1fe8 h ALA 1051CO 0.10 0.36 -0.04 0.00 0.00 0.00 0.00 179.25 179.66 1fe8 h ALA 1052N 1.63 0.26 0.05 0.00 0.00 -0.96 -1.88 119.26 118.35 1fe8 h ALA 1052Ca 0.07 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1fe8 h ALA 1052Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1fe8 h ALA 1052CO 0.01 0.03 -0.13 -0.09 0.00 0.00 0.00 179.25 179.07 1fe8 h ARG 1053N 0.08 -0.24 0.00 0.00 2.43 -0.94 0.15 114.38 115.86 1fe8 h ARG 1053Ca 0.05 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1fe8 h ARG 1053Cb 0.49 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1fe8 h ARG 1053CO 0.02 -0.16 -0.15 0.66 -1.51 0.00 0.00 179.97 178.83 1fe8 h SER 1054N -0.25 0.00 -0.32 -3.80 4.64 -1.26 -1.64 113.55 110.92 1fe8 h SER 1054Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1fe8 h SER 1054Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1fe8 h SER 1054CO -0.09 0.15 0.00 0.59 -0.87 0.00 0.00 176.83 176.61 1fe8 n ASN 1055N -4.26 1.98 -3.21 4.97 3.02 -0.71 -4.92 115.26 112.13 1fe8 n ASN 1055Ca -0.02 -1.91 -0.22 0.00 -0.03 0.00 0.00 54.58 52.39 1fe8 n ASN 1055Cb 0.22 -0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.24 1fe8 n ASN 1055CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1fe8 n ARG 1056N 0.56 -6.35 -3.42 3.52 1.74 -0.62 -4.98 116.66 107.12 1fe8 n ARG 1056Ca 0.14 0.83 -0.44 0.00 -0.77 0.00 0.00 57.85 57.62 1fe8 n ARG 1056Cb 0.33 -5.70 -0.09 0.00 -1.02 0.00 0.00 32.46 25.98 1fe8 n ARG 1056CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1fe8 s VAL 1057N -3.24 5.24 -0.06 1.55 1.01 0.45 -4.22 120.40 121.13 1fe8 s VAL 1057Ca 0.44 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1fe8 s VAL 1057Cb -0.19 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1fe8 s VAL 1057CO 0.55 -0.44 1.35 -0.89 0.00 0.00 0.00 175.10 175.67 1fe8 s THR 1058N 1.69 3.97 -0.16 3.92 2.01 -0.85 -4.39 115.64 121.83 1fe8 s THR 1058Ca 0.05 1.28 -0.06 0.00 0.31 0.00 0.00 61.69 63.26 1fe8 s THR 1058Cb -0.21 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1fe8 s THR 1058CO 0.09 -0.05 0.04 -0.69 -0.69 0.00 0.00 174.62 173.33 1fe8 s VAL 1059N 2.85 4.64 -0.51 3.82 1.01 -1.26 -1.06 120.40 129.89 1fe8 s VAL 1059Ca 0.61 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1fe8 s VAL 1059Cb -0.27 -3.06 0.13 0.00 0.00 0.00 0.00 36.38 33.18 1fe8 s VAL 1059CO 0.23 0.49 0.27 -0.36 0.00 0.00 0.00 175.10 175.73 1fe8 s PHE 1060N 0.13 3.34 0.14 5.22 0.40 0.05 -4.61 117.98 122.65 1fe8 s PHE 1060Ca 0.04 -3.00 -0.30 0.00 -0.60 0.00 0.00 56.93 53.07 1fe8 s PHE 1060Cb -0.12 -2.95 -0.07 0.00 0.51 0.00 0.00 43.02 40.39 1fe8 s PHE 1060CO 0.01 -0.81 1.05 -2.14 0.70 0.00 0.00 175.22 174.03 1fe8 s PRO 1061N 0.01 4.62 -0.32 0.24 0.02 -1.23 -1.34 135.00 137.00 1fe8 s PRO 1061Ca 0.16 1.61 0.03 0.00 0.02 0.00 0.00 61.00 62.82 1fe8 s PRO 1061Cb -0.23 -3.33 0.09 0.00 0.02 0.00 0.00 34.50 31.05 1fe8 s PRO 1061CO -0.02 0.10 0.02 0.42 -0.33 0.00 0.00 177.00 177.19 1fe8 s ILE 1062N -0.01 2.06 -0.17 2.83 1.01 0.10 -0.25 121.20 126.77 1fe8 s ILE 1062Ca 0.49 -2.05 -0.29 0.00 0.00 0.00 0.00 60.65 58.80 1fe8 s ILE 1062Cb -0.27 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 39.75 1fe8 s ILE 1062CO 0.32 -0.47 1.11 -0.83 0.00 0.00 0.00 174.94 175.07 1fe8 s GLY 1063N 1.04 1.83 -0.20 6.18 0.00 0.26 -1.36 107.32 115.08 1fe8 s GLY 1063Ca 0.06 0.33 -0.04 0.00 0.00 0.00 0.00 44.72 45.08 1fe8 s GLY 1063CO -0.09 2.24 -0.04 -0.42 0.00 0.00 0.00 173.10 174.79 1fe8 s ILE 1064N 2.99 3.55 0.00 0.90 1.01 0.15 0.40 121.20 130.21 1fe8 s ILE 1064Ca 0.49 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1fe8 s ILE 1064Cb -0.18 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1fe8 s ILE 1064CO 0.12 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1fe8 n GLY 1065N 4.42 0.36 0.80 6.18 0.00 0.13 -4.35 105.19 112.71 1fe8 n GLY 1065Ca -0.18 -1.24 0.01 0.00 0.00 0.00 0.00 46.02 44.61 1fe8 n GLY 1065CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fe8 n ASP 1066N 2.01 0.21 -0.83 1.61 3.85 -1.26 -4.63 116.55 117.51 1fe8 n ASP 1066Ca 0.00 -1.88 0.08 0.00 -0.71 0.00 0.00 54.79 52.28 1fe8 n ASP 1066Cb 0.00 -0.17 0.16 0.00 -1.35 0.00 0.00 41.12 39.76 1fe8 n ASP 1066CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 1fe8 n ARG 1067N 0.13 2.18 -3.99 0.11 3.00 -1.26 -4.99 116.66 111.84 1fe8 n ARG 1067Ca 0.00 -1.97 -0.23 0.00 -0.00 0.00 0.00 57.85 55.65 1fe8 n ARG 1067Cb 0.80 -1.37 -0.03 0.00 0.00 0.00 0.00 32.46 31.86 1fe8 n ARG 1067CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1fe8 s TYR 1068N -1.16 3.39 -0.36 -0.14 -0.85 -1.24 -2.49 117.35 114.50 1fe8 s TYR 1068Ca 0.28 0.01 -0.19 0.00 -0.52 0.00 0.00 57.07 56.65 1fe8 s TYR 1068Cb 0.16 -1.57 0.00 0.00 0.38 0.00 0.00 41.96 40.93 1fe8 s TYR 1068CO 0.22 0.48 0.56 0.34 -1.52 0.00 0.00 175.55 175.64 1fe8 s ASP 1069N -3.68 6.35 0.35 -0.18 3.68 -1.26 -4.87 116.67 117.06 1fe8 s ASP 1069Ca 0.34 -0.01 0.08 0.00 2.13 0.00 0.00 52.55 55.09 1fe8 s ASP 1069Cb -0.10 -2.29 0.78 0.00 -1.45 0.00 0.00 42.92 39.87 1fe8 s ASP 1069CO 0.28 -0.55 1.89 0.00 0.13 0.00 0.00 175.17 176.93 1fe8 h ALA 1070N 8.50 1.79 -0.13 3.66 0.00 -1.99 -2.38 119.26 128.71 1fe8 h ALA 1070Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1fe8 h ALA 1070Cb 1.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1fe8 h ALA 1070CO 0.80 0.01 0.06 0.00 0.00 0.00 0.00 179.25 180.13 1fe8 h ALA 1071N 1.59 0.16 -0.54 0.00 0.00 -2.00 -2.58 119.26 115.90 1fe8 h ALA 1071Ca 0.41 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1fe8 h ALA 1071Cb 0.58 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1fe8 h ALA 1071CO -0.17 -0.28 0.25 1.96 0.00 0.00 0.00 179.25 181.01 1fe8 h GLN 1072N 0.08 0.47 -0.94 0.00 4.20 -1.86 -0.77 115.11 116.29 1fe8 h GLN 1072Ca 0.04 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.78 1fe8 h GLN 1072Cb 0.11 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 1fe8 h GLN 1072CO -0.01 0.31 0.60 -0.07 -0.67 0.00 0.00 178.83 179.00 1fe8 h LEU 1073N 0.48 0.97 -0.70 1.46 3.38 -1.36 0.38 115.31 119.91 1fe8 h LEU 1073Ca 0.25 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 1fe8 h LEU 1073Cb 0.20 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1fe8 h LEU 1073CO -0.20 0.62 0.17 -0.09 0.09 0.00 0.00 178.44 179.04 1fe8 h ARG 1074N 1.11 1.12 -0.15 1.13 2.43 -0.91 -2.16 114.38 116.94 1fe8 h ARG 1074Ca 0.40 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1fe8 h ARG 1074Cb 0.14 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1fe8 h ARG 1074CO -0.17 0.99 -0.01 0.82 -1.51 0.00 0.00 179.97 180.10 1fe8 h ILE 1075N 1.06 1.26 -1.01 1.20 2.04 0.04 -2.97 117.51 119.13 1fe8 h ILE 1075Ca 0.22 -0.87 0.16 0.00 1.00 0.00 0.00 64.86 65.37 1fe8 h ILE 1075Cb 0.37 1.53 -0.10 0.00 -0.74 0.00 0.00 36.82 37.89 1fe8 h ILE 1075CO 0.00 0.26 0.62 -0.07 0.00 0.00 0.00 178.15 178.96 1fe8 h LEU 1076N 0.01 0.84 -1.03 1.44 3.38 -0.10 -0.64 115.31 119.20 1fe8 h LEU 1076Ca 0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1fe8 h LEU 1076Cb 0.39 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1fe8 h LEU 1076CO 0.01 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1fe8 h ALA 1077N 1.61 1.00 -1.15 1.53 0.00 -1.27 -3.44 119.26 117.54 1fe8 h ALA 1077Ca 0.55 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.47 1fe8 h ALA 1077Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1fe8 h ALA 1077CO -0.34 0.00 -0.02 0.41 0.00 0.00 0.00 179.25 179.30 1fe8 n GLY 1078N 0.25 -1.49 0.38 0.00 0.00 -0.25 -3.73 105.19 100.35 1fe8 n GLY 1078Ca 0.02 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 44.96 1fe8 n GLY 1078CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fe8 n PRO 1079N -1.22 0.02 0.12 1.61 -0.02 -1.26 0.10 135.00 134.35 1fe8 n PRO 1079Ca 0.00 0.88 0.10 0.00 -2.02 0.00 0.00 63.50 62.47 1fe8 n PRO 1079Cb 0.02 -2.30 0.47 0.00 -0.02 0.00 0.00 33.50 31.67 1fe8 n PRO 1079CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fe8 n ALA 1080N -1.74 1.47 -0.48 3.55 0.00 -1.24 -4.95 120.51 117.11 1fe8 n ALA 1080Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1fe8 n ALA 1080Cb 1.12 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1fe8 n ALA 1080CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fe8 n GLY 1081N -0.42 1.67 0.89 0.00 0.00 0.28 -2.79 105.19 104.82 1fe8 n GLY 1081Ca 0.01 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.51 1fe8 n GLY 1081CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fe8 n ASP 1082N 3.05 2.64 0.27 1.61 10.43 -1.26 -4.19 116.55 129.09 1fe8 n ASP 1082Ca 0.00 -1.91 0.12 0.00 2.57 0.00 0.00 54.79 55.58 1fe8 n ASP 1082Cb 0.00 -0.24 0.75 0.00 1.84 0.00 0.00 41.12 43.47 1fe8 n ASP 1082CO 0.00 0.00 0.00 -1.28 -1.07 0.00 0.00 177.20 174.85 1fe8 h SER 1083N 3.23 0.00 -0.00 -2.24 0.87 -1.92 -1.73 113.55 111.75 1fe8 h SER 1083Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1fe8 h SER 1083Cb 0.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1fe8 h SER 1083CO 0.00 0.09 -0.67 0.59 -0.53 0.00 0.00 176.83 176.31 1fe8 n ASN 1084N -3.82 1.04 -4.73 6.23 3.02 -1.26 -4.95 115.26 110.79 1fe8 n ASN 1084Ca -0.02 -1.02 -0.41 0.00 -0.03 0.00 0.00 54.58 53.10 1fe8 n ASN 1084Cb 0.19 0.86 -0.04 0.00 -0.61 0.00 0.00 39.78 40.18 1fe8 n ASN 1084CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fe8 s VAL 1085N -2.43 4.36 -0.11 2.41 1.01 -0.65 -3.55 120.40 121.44 1fe8 s VAL 1085Ca 0.09 1.91 0.01 0.00 0.00 0.00 0.00 61.98 63.99 1fe8 s VAL 1085Cb 0.13 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1fe8 s VAL 1085CO 0.62 0.27 -0.13 -0.69 0.00 0.00 0.00 175.10 175.17 1fe8 s VAL 1086N 0.18 1.32 -0.14 2.92 1.01 0.65 -4.98 120.40 121.36 1fe8 s VAL 1086Ca 0.49 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1fe8 s VAL 1086Cb -0.25 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1fe8 s VAL 1086CO 0.31 0.41 -0.08 -0.54 0.00 0.00 0.00 175.10 175.19 1fe8 s LYS 1087N 1.16 3.53 -0.10 2.72 1.02 -1.26 0.93 119.74 127.73 1fe8 s LYS 1087Ca -0.04 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.37 1fe8 s LYS 1087Cb -0.14 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.40 1fe8 s LYS 1087CO -0.03 0.22 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.93 1fe8 s LEU 1088N 0.38 1.84 0.19 3.17 1.43 0.16 -4.94 118.68 120.91 1fe8 s LEU 1088Ca -0.07 -0.46 0.24 0.00 -1.03 0.00 0.00 54.13 52.81 1fe8 s LEU 1088Cb -0.15 -1.17 0.91 0.00 0.03 0.00 0.00 46.19 45.81 1fe8 s LEU 1088CO 0.04 0.06 1.74 0.00 0.23 0.00 0.00 176.35 178.42 1fe8 n GLN 1089N 3.99 0.18 -4.07 1.70 10.64 -1.26 -0.70 117.38 127.86 1fe8 n GLN 1089Ca -0.20 0.28 -0.14 0.00 -1.83 0.00 0.00 57.00 55.11 1fe8 n GLN 1089Cb 0.52 -1.77 -0.14 0.00 -0.86 0.00 0.00 30.24 27.99 1fe8 n GLN 1089CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1fe8 s ARG 1090N -3.17 0.36 0.40 2.61 0.52 -1.26 -4.31 118.95 114.10 1fe8 s ARG 1090Ca 0.08 -0.28 0.19 0.00 -0.52 0.00 0.00 55.73 55.20 1fe8 s ARG 1090Cb 0.12 -0.28 0.83 0.00 0.52 0.00 0.00 34.95 36.14 1fe8 s ARG 1090CO 0.48 0.07 1.82 0.97 0.02 0.00 0.00 175.30 178.65 1fe8 h ILE 1091N 4.92 0.91 0.00 1.52 6.09 -1.95 -2.66 117.51 126.35 1fe8 h ILE 1091Ca -0.29 -1.28 0.00 0.00 -1.37 0.00 0.00 64.86 61.92 1fe8 h ILE 1091Cb 1.20 1.76 0.00 0.00 0.47 0.00 0.00 36.82 40.25 1fe8 h ILE 1091CO 0.48 0.32 0.00 -0.62 -3.07 0.00 0.00 178.15 175.26 1fe8 n GLU 1092N -3.68 0.13 0.10 2.19 4.71 -1.26 -2.49 120.64 120.34 1fe8 n GLU 1092Ca -0.01 0.33 0.12 0.00 -0.01 0.00 0.00 57.16 57.59 1fe8 n GLU 1092Cb 0.43 -1.74 0.09 0.00 -1.01 0.00 0.00 31.44 29.22 1fe8 n GLU 1092CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1fe8 h ASP 1093N 0.00 0.00 0.08 1.62 3.45 -1.90 -3.40 116.42 116.27 1fe8 h ASP 1093Ca 0.00 -0.09 0.01 0.00 0.43 0.00 0.00 57.03 57.39 1fe8 h ASP 1093Cb 0.38 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.10 1fe8 h ASP 1093CO 0.00 0.04 -0.48 0.25 -1.57 0.00 0.00 179.24 177.48 1fe8 h LEU 1094N 0.00 -1.47 -1.98 1.55 5.85 -1.60 -2.06 115.31 115.60 1fe8 h LEU 1094Ca 0.00 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1fe8 h LEU 1094Cb 0.89 0.55 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 1fe8 h LEU 1094CO 0.00 -0.50 -0.07 1.55 -0.34 0.00 0.00 178.44 179.08 1fe8 h PRO 1095N -0.66 0.00 -2.83 5.25 0.13 -1.77 -3.34 132.00 128.77 1fe8 h PRO 1095Ca -0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1fe8 h PRO 1095Cb 0.68 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.82 1fe8 h PRO 1095CO -0.28 0.07 2.82 2.41 -0.23 0.00 0.00 178.00 182.79 1fe8 n THR 1096N -4.21 3.83 0.00 1.56 -1.04 -0.78 -2.64 114.28 111.01 1fe8 n THR 1096Ca -0.03 -2.22 0.00 0.00 -2.04 0.00 0.00 64.05 59.76 1fe8 n THR 1096Cb 0.15 -2.43 0.00 0.00 -1.82 0.00 0.00 70.33 66.23 1fe8 n THR 1096CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1fe8 n VAL 1098N 3.40 0.00 -0.08 12.58 0.31 -1.26 -3.03 118.33 130.26 1fe8 n VAL 1098Ca 0.67 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 65.19 1fe8 n VAL 1098Cb 0.36 0.00 0.60 0.00 -0.91 0.00 0.00 33.84 33.90 1fe8 n VAL 1098CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1fe8 h THR 1099N 0.00 0.76 -0.17 2.52 1.35 -1.84 -3.42 112.91 112.11 1fe8 h THR 1099Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1fe8 h THR 1099Cb 0.00 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 66.97 1fe8 h THR 1099CO 0.00 0.04 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 1fe8 n LEU 1100N -4.42 0.00 -4.69 3.87 4.77 -1.17 -4.94 117.00 110.43 1fe8 n LEU 1100Ca 0.12 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.67 1fe8 n LEU 1100Cb 0.58 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1fe8 n LEU 1100CO 0.35 -0.02 0.90 0.61 -1.33 0.00 0.00 177.39 177.89 1fe8 n GLY 1101N 3.87 0.56 2.04 -0.72 0.00 -1.26 -4.79 105.19 104.90 1fe8 n GLY 1101Ca 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 1fe8 n GLY 1101CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fe8 n ASN 1102N 0.97 1.65 0.05 1.61 4.13 -1.26 -3.97 115.26 118.43 1fe8 n ASN 1102Ca 0.06 -1.58 -0.20 0.00 1.68 0.00 0.00 54.58 54.54 1fe8 n ASN 1102Cb 0.35 -0.39 -0.12 0.00 -1.54 0.00 0.00 39.78 38.08 1fe8 n ASN 1102CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1fe8 h SER 1103N 3.84 0.69 -0.44 6.41 4.64 -1.92 -2.64 113.55 124.13 1fe8 h SER 1103Ca 0.02 -0.81 -0.13 0.00 -0.47 0.00 0.00 61.79 60.40 1fe8 h SER 1103Cb 0.37 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1fe8 h SER 1103CO 0.16 1.42 -0.25 0.15 -0.87 0.00 0.00 176.83 177.45 1fe8 h PHE 1104N 0.04 1.09 -0.30 4.77 3.57 -1.94 -2.44 116.94 121.73 1fe8 h PHE 1104Ca -0.13 -0.28 -0.09 0.00 3.53 0.00 0.00 57.97 60.99 1fe8 h PHE 1104Cb 1.62 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 1fe8 h PHE 1104CO 0.14 1.09 -0.21 -0.07 -2.23 0.00 0.00 178.31 177.03 1fe8 h LEU 1105N 0.78 0.55 -0.36 0.59 -0.00 -1.87 -1.72 115.31 113.28 1fe8 h LEU 1105Ca 0.09 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1fe8 h LEU 1105Cb 0.82 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1fe8 h LEU 1105CO 0.07 0.77 0.00 1.41 -0.00 0.00 0.00 178.44 180.69 1fe8 n HIS 1106N -4.14 0.57 0.04 1.13 8.25 -1.00 -1.31 115.22 118.76 1fe8 n HIS 1106Ca 0.00 0.21 -0.05 0.00 -0.26 0.00 0.00 57.72 57.62 1fe8 n HIS 1106Cb 0.39 -0.84 0.15 0.00 1.12 0.00 0.00 29.99 30.82 1fe8 n HIS 1106CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1fe8 h LYS 1107N 0.00 0.42 0.07 -0.41 3.64 -0.82 -3.12 116.57 116.35 1fe8 h LYS 1107Ca 0.00 -0.21 -0.34 0.00 -1.27 0.00 0.00 60.65 58.83 1fe8 h LYS 1107Cb 0.41 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1fe8 h LYS 1107CO 0.00 0.77 -1.91 1.28 -2.27 0.00 0.00 179.45 177.31 1fe8 n LEU 1108N -4.02 1.84 0.00 5.20 4.32 -0.98 -4.99 117.00 118.38 1fe8 n LEU 1108Ca -0.02 0.27 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1fe8 n LEU 1108Cb 0.51 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 1fe8 n LEU 1108CO 0.44 0.66 0.00 0.00 -1.22 0.00 0.00 177.39 177.26