#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kg7 h ARG 940 N 0.00 0.74 0.00 1.57 2.43 -1.92 0.15 114.38 117.35 3kg7 h ARG 940 Ca 0.00 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 3kg7 h ARG 940 Cb 0.00 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 3kg7 h ARG 940 CO 0.00 0.49 -0.66 1.25 -1.51 0.00 0.00 179.97 179.54 3kg7 h LEU 941 N 0.77 0.00 0.00 3.80 5.85 -1.95 -3.41 115.31 120.37 3kg7 h LEU 941 Ca 0.47 -0.68 -0.24 0.00 0.84 0.00 0.00 57.88 58.27 3kg7 h LEU 941 Cb 0.68 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3kg7 h LEU 941 CO -0.23 1.23 -1.50 -0.07 -0.34 0.00 0.00 178.44 177.53 3kg7 h LEU 942 N -1.00 0.00 0.00 2.25 3.38 -1.97 -3.51 115.31 114.46 3kg7 h LEU 942 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kg7 h LEU 942 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3kg7 h LEU 942 CO -0.11 0.84 0.00 0.61 0.09 0.00 0.00 178.44 179.87 3kg7 n GLY 943 N 1.47 0.57 3.76 0.83 0.00 0.50 -3.96 105.19 108.36 3kg7 n GLY 943 Ca -0.12 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 3kg7 n GLY 943 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kg7 s ASN 944 N -4.00 6.46 -0.14 1.61 0.01 -0.40 -2.77 114.94 115.71 3kg7 s ASN 944 Ca 0.00 0.54 -0.19 0.00 -0.71 0.00 0.00 52.86 52.50 3kg7 s ASN 944 Cb 0.00 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 3kg7 s ASN 944 CO 0.00 0.16 0.53 -0.75 -1.51 0.00 0.00 177.10 175.53 3kg7 s LYS 945 N 0.12 4.30 -0.13 -0.60 2.20 -1.26 -1.25 119.74 123.12 3kg7 s LYS 945 Ca 0.17 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 3kg7 s LYS 945 Cb -0.13 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 3kg7 s LYS 945 CO 0.05 0.04 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.79 3kg7 s LEU 946 N 1.00 1.47 -0.22 5.43 2.96 0.30 -5.00 118.68 124.62 3kg7 s LEU 946 Ca 0.27 -0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 53.62 3kg7 s LEU 946 Cb -0.16 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 3kg7 s LEU 946 CO 0.11 -0.07 0.44 -1.61 -1.32 0.00 0.00 176.35 173.89 3kg7 s GLU 947 N 1.51 4.14 0.00 1.98 2.02 -1.26 -0.67 118.70 126.42 3kg7 s GLU 947 Ca 0.03 0.25 -0.30 0.00 0.02 0.00 0.00 54.97 54.97 3kg7 s GLU 947 Cb -0.13 -3.57 -0.05 0.00 0.10 0.00 0.00 34.13 30.48 3kg7 s GLU 947 CO -0.08 -0.13 1.31 -0.51 0.02 0.00 0.00 175.26 175.86 3kg7 s LEU 948 N 1.61 4.32 0.13 1.80 1.02 0.53 -4.94 118.68 123.15 3kg7 s LEU 948 Ca 0.20 2.03 -0.15 0.00 0.02 0.00 0.00 54.13 56.23 3kg7 s LEU 948 Cb -0.15 -3.56 -0.00 0.00 0.02 0.00 0.00 46.19 42.49 3kg7 s LEU 948 CO 0.09 -0.63 1.62 0.00 0.02 0.00 0.00 176.35 177.44 3kg7 h ALA 949 N 7.48 0.56 0.00 4.21 0.00 -1.97 -2.60 119.26 126.94 3kg7 h ALA 949 Ca -0.38 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 3kg7 h ALA 949 Cb 1.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3kg7 h ALA 949 CO 0.88 0.27 -0.89 0.66 0.00 0.00 0.00 179.25 180.17 3kg7 h SER 950 N 0.56 0.00 0.00 0.00 4.64 -1.97 -3.38 113.55 113.40 3kg7 h SER 950 Ca 0.13 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 3kg7 h SER 950 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3kg7 h SER 950 CO 0.01 0.65 -1.33 0.35 -0.87 0.00 0.00 176.83 175.64 3kg7 n THR 951 N -3.16 0.15 -1.69 2.95 -2.24 -1.25 -5.01 114.28 104.03 3kg7 n THR 951 Ca -0.02 -0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 3kg7 n THR 951 Cb 0.82 -0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.93 3kg7 n THR 951 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kg7 n GLY 952 N 2.34 0.39 3.94 3.38 0.00 -0.98 -4.78 105.19 109.49 3kg7 n GLY 952 Ca -0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 3kg7 n GLY 952 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kg7 s GLN 953 N -3.45 3.22 -0.08 1.61 -0.21 -1.26 -4.23 119.66 115.26 3kg7 s GLN 953 Ca 0.00 -0.33 0.02 0.00 0.02 0.00 0.00 55.36 55.07 3kg7 s GLN 953 Cb 0.00 -2.54 0.01 0.00 1.00 0.00 0.00 33.01 31.48 3kg7 s GLN 953 CO 0.00 -0.19 -0.16 0.99 -2.12 0.00 0.00 175.29 173.82 3kg7 s THR 954 N -2.55 1.43 -0.14 -0.19 2.01 -0.47 -0.34 115.64 115.39 3kg7 s THR 954 Ca 0.46 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 3kg7 s THR 954 Cb -0.10 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 3kg7 s THR 954 CO 0.39 0.42 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.02 3kg7 s ILE 955 N 0.68 3.46 -0.28 1.82 1.01 0.15 -0.19 121.20 127.85 3kg7 s ILE 955 Ca -0.13 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 3kg7 s ILE 955 Cb -0.16 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 3kg7 s ILE 955 CO 0.04 0.51 0.09 -0.31 0.00 0.00 0.00 174.94 175.27 3kg7 s TYR 956 N 0.33 3.13 -0.02 3.97 2.02 -0.14 -0.54 117.35 126.10 3kg7 s TYR 956 Ca -0.07 -0.65 0.06 0.00 -0.37 0.00 0.00 57.07 56.04 3kg7 s TYR 956 Cb -0.15 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.12 3kg7 s TYR 956 CO 0.04 -0.46 -0.20 -3.38 -1.57 0.00 0.00 175.55 169.98 3kg7 s HIS 957 N 1.58 1.83 0.17 2.71 -3.43 -0.38 -0.73 115.29 117.03 3kg7 s HIS 957 Ca 0.05 -0.35 -0.20 0.00 -0.80 0.00 0.00 55.06 53.76 3kg7 s HIS 957 Cb -0.16 -1.18 0.05 0.00 -1.43 0.00 0.00 32.58 29.86 3kg7 s HIS 957 CO 0.04 -0.04 0.54 1.14 -2.00 0.00 0.00 174.74 174.42 3kg7 s GLN 958 N -0.46 1.28 -0.34 -0.38 -2.07 -0.86 -1.27 119.66 115.55 3kg7 s GLN 958 Ca 0.07 -0.65 -0.19 0.00 -1.82 0.00 0.00 55.36 52.77 3kg7 s GLN 958 Cb -0.08 0.54 -0.00 0.00 -1.09 0.00 0.00 33.01 32.38 3kg7 s GLN 958 CO -0.01 -0.54 0.57 -0.51 -1.32 0.00 0.00 175.29 173.48 3kg7 s ASP 959 N -2.80 6.38 -0.24 12.60 1.11 -1.26 -0.55 116.67 131.92 3kg7 s ASP 959 Ca 0.04 0.12 -0.21 0.00 0.18 0.00 0.00 52.55 52.68 3kg7 s ASP 959 Cb -0.01 -2.30 -0.02 0.00 1.07 0.00 0.00 42.92 41.67 3kg7 s ASP 959 CO -0.09 -0.51 0.64 -0.63 1.18 0.00 0.00 175.17 175.76 3kg7 s ILE 960 N 2.53 4.99 0.32 0.77 -1.09 0.03 -4.83 121.20 123.93 3kg7 s ILE 960 Ca 0.22 1.17 -0.15 0.00 -2.23 0.00 0.00 60.65 59.66 3kg7 s ILE 960 Cb -0.15 -3.95 0.03 0.00 -1.58 0.00 0.00 42.46 36.81 3kg7 s ILE 960 CO 0.13 0.05 0.67 0.54 -1.23 0.00 0.00 174.94 175.11 3kg7 s ASN 961 N 1.38 0.02 0.12 3.58 2.20 -1.26 -1.17 114.94 119.80 3kg7 s ASN 961 Ca 0.27 -0.98 0.15 0.00 -0.94 0.00 0.00 52.86 51.36 3kg7 s ASN 961 Cb -0.16 0.74 0.67 0.00 -2.00 0.00 0.00 41.25 40.51 3kg7 s ASN 961 CO 0.09 -1.44 1.46 0.18 -2.94 0.00 0.00 177.10 174.45 3kg7 n LEU 962 N -0.49 0.26 0.01 3.54 4.77 -1.26 -0.48 117.00 123.35 3kg7 n LEU 962 Ca -0.05 0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 56.31 3kg7 n LEU 962 Cb 0.60 -0.57 -0.14 0.00 -2.33 0.00 0.00 43.42 40.98 3kg7 n LEU 962 CO 0.23 -0.49 -0.26 -1.13 -1.33 0.00 0.00 177.39 174.41 3kg7 h ASN 963 N 0.00 0.35 0.28 -1.43 -1.24 -1.94 -3.04 115.58 108.56 3kg7 h ASN 963 Ca 0.00 -0.86 -0.24 0.00 0.71 0.00 0.00 56.30 55.91 3kg7 h ASN 963 Cb 0.19 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.14 3kg7 h ASN 963 CO 0.00 1.51 -1.00 0.78 -1.29 0.00 0.00 177.43 177.43 3kg7 h ASN 964 N -0.42 0.62 -2.14 1.15 2.35 -1.78 -3.40 115.58 111.97 3kg7 h ASN 964 Ca -0.25 -0.51 -0.58 0.00 -0.55 0.00 0.00 56.30 54.42 3kg7 h ASN 964 Cb 1.65 -0.19 -0.40 0.00 0.05 0.00 0.00 38.32 39.43 3kg7 h ASN 964 CO 0.06 1.32 -0.91 1.41 -1.65 0.00 0.00 177.43 177.65 3kg7 n HIS 965 N -3.75 1.00 0.07 1.19 8.25 0.37 -4.96 115.22 117.38 3kg7 n HIS 965 Ca -0.08 -3.76 0.20 0.00 -0.26 0.00 0.00 57.72 53.82 3kg7 n HIS 965 Cb 0.87 -0.37 0.74 0.00 1.12 0.00 0.00 29.99 32.34 3kg7 n HIS 965 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3kg7 h PRO 966 N 4.26 0.00 0.00 -0.41 0.11 -1.73 -2.25 132.00 131.97 3kg7 h PRO 966 Ca 0.13 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 3kg7 h PRO 966 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 3kg7 h PRO 966 CO 0.58 0.00 -0.12 0.11 -0.21 0.00 0.00 178.00 178.36 3kg7 h TRP 967 N 0.00 0.00 -0.63 0.65 5.08 -1.93 -2.12 115.95 117.01 3kg7 h TRP 967 Ca 0.21 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.15 3kg7 h TRP 967 Cb 0.97 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.10 3kg7 h TRP 967 CO 0.00 0.12 0.29 0.82 -1.28 0.00 0.00 178.44 178.39 3kg7 h ILE 968 N 0.00 1.21 0.00 0.12 2.04 -1.77 -0.13 117.51 118.99 3kg7 h ILE 968 Ca -0.00 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3kg7 h ILE 968 Cb 0.25 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3kg7 h ILE 968 CO 0.02 0.25 0.01 0.61 0.00 0.00 0.00 178.15 179.04 3kg7 n GLY 969 N -1.11 -0.70 0.68 5.37 0.00 -0.80 -0.98 105.19 107.66 3kg7 n GLY 969 Ca 0.06 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3kg7 n GLY 969 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kg7 n ASP 970 N -1.92 2.44 -4.08 1.61 9.92 -0.07 -4.68 116.55 119.77 3kg7 n ASP 970 Ca -0.01 -1.71 -0.36 0.00 -0.53 0.00 0.00 54.79 52.19 3kg7 n ASP 970 Cb 0.03 -0.03 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 3kg7 n ASP 970 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 3kg7 s HIS 971 N -1.33 3.52 -0.30 1.24 2.46 -0.15 0.10 115.29 120.83 3kg7 s HIS 971 Ca 0.20 -2.84 -0.07 0.00 0.47 0.00 0.00 55.06 52.83 3kg7 s HIS 971 Cb 0.14 -3.18 0.01 0.00 -0.13 0.00 0.00 32.58 29.42 3kg7 s HIS 971 CO 0.21 -0.80 0.09 1.03 -2.47 0.00 0.00 174.74 172.80 3kg7 s ARG 972 N -0.47 3.10 -0.16 2.88 0.52 -0.80 -1.95 118.95 122.07 3kg7 s ARG 972 Ca 0.20 -0.86 -0.04 0.00 -0.52 0.00 0.00 55.73 54.51 3kg7 s ARG 972 Cb -0.16 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 3kg7 s ARG 972 CO -0.06 -0.45 -0.02 0.08 0.02 0.00 0.00 175.30 174.87 3kg7 s VAL 973 N 1.51 4.10 -1.53 3.52 1.01 -0.60 -1.33 120.40 127.07 3kg7 s VAL 973 Ca 0.03 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 3kg7 s VAL 973 Cb -0.17 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.49 3kg7 s VAL 973 CO 0.03 0.49 0.94 -1.22 0.00 0.00 0.00 175.10 175.34 3kg7 n TYR 974 N 3.47 -2.22 -3.07 5.22 4.02 -0.52 -1.00 117.16 123.06 3kg7 n TYR 974 Ca -0.17 0.89 -0.20 0.00 -0.01 0.00 0.00 57.90 58.41 3kg7 n TYR 974 Cb 0.52 -3.92 -0.00 0.00 -0.02 0.00 0.00 39.34 35.92 3kg7 n TYR 974 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3kg7 n ASP 975 N -2.84 -3.83 -4.13 7.72 4.64 -1.26 -4.97 116.55 111.88 3kg7 n ASP 975 Ca 0.01 -0.20 -0.29 0.00 -1.38 0.00 0.00 54.79 52.93 3kg7 n ASP 975 Cb 0.54 -3.19 -0.17 0.00 -1.04 0.00 0.00 41.12 37.26 3kg7 n ASP 975 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3kg7 s THR 976 N -2.83 1.66 -0.10 5.18 2.01 -0.17 -5.06 115.64 116.32 3kg7 s THR 976 Ca 0.28 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 3kg7 s THR 976 Cb -0.14 -1.46 -0.07 0.00 0.01 0.00 0.00 72.50 70.83 3kg7 s THR 976 CO 0.34 0.47 2.11 -2.65 -0.69 0.00 0.00 174.62 174.20 3kg7 n PRO 977 N 3.74 2.40 -4.59 4.92 -0.02 -1.26 -1.56 135.00 138.63 3kg7 n PRO 977 Ca -0.20 0.78 -0.22 0.00 -2.02 0.00 0.00 63.50 61.83 3kg7 n PRO 977 Cb 0.52 -3.14 -0.15 0.00 -0.02 0.00 0.00 33.50 30.71 3kg7 n PRO 977 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kg7 s VAL 978 N 6.53 1.06 -0.25 -1.45 1.01 -0.82 -0.66 120.40 125.82 3kg7 s VAL 978 Ca 0.95 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 62.12 3kg7 s VAL 978 Cb -0.38 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3kg7 s VAL 978 CO 0.38 0.31 0.97 -0.63 0.00 0.00 0.00 175.10 176.13 3kg7 s ILE 979 N -0.05 4.72 0.39 2.22 1.01 -0.63 -4.72 121.20 124.13 3kg7 s ILE 979 Ca 0.00 1.83 -0.28 0.00 0.00 0.00 0.00 60.65 62.20 3kg7 s ILE 979 Cb -0.08 -4.25 -0.10 0.00 0.01 0.00 0.00 42.46 38.03 3kg7 s ILE 979 CO 0.00 -0.18 1.46 -2.84 0.00 0.00 0.00 174.94 173.39 3kg7 s PRO 980 N 3.12 4.04 0.24 2.79 0.02 -1.26 -4.58 135.00 139.38 3kg7 s PRO 980 Ca 0.41 2.52 -0.05 0.00 0.02 0.00 0.00 61.00 63.90 3kg7 s PRO 980 Cb -0.15 -2.92 0.44 0.00 0.02 0.00 0.00 34.50 31.90 3kg7 s PRO 980 CO 0.08 -0.57 1.71 0.78 -0.33 0.00 0.00 177.00 178.67 3kg7 h GLY 981 N 2.89 1.05 1.88 0.52 0.00 -1.95 -1.81 103.07 105.65 3kg7 h GLY 981 Ca -0.51 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3kg7 h GLY 981 CO 0.64 -0.15 0.04 3.33 0.00 0.00 0.00 176.54 180.40 3kg7 n VAL 982 N -5.09 1.26 -0.17 4.60 0.24 -1.26 -1.71 118.33 116.20 3kg7 n VAL 982 Ca 0.14 0.67 0.05 0.00 -2.04 0.00 0.00 64.34 63.15 3kg7 n VAL 982 Cb 0.43 -1.67 0.34 0.00 -1.47 0.00 0.00 33.84 31.47 3kg7 n VAL 982 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3kg7 h SER 983 N 0.00 0.68 0.91 -1.34 0.02 -1.60 -1.81 113.55 110.41 3kg7 h SER 983 Ca 0.00 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3kg7 h SER 983 Cb 0.08 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3kg7 h SER 983 CO 0.00 0.46 -0.33 1.88 -1.14 0.00 0.00 176.83 177.70 3kg7 h TYR 984 N 0.79 0.00 0.04 3.45 0.05 -1.54 -2.34 116.97 117.41 3kg7 h TYR 984 Ca 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.07 3kg7 h TYR 984 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3kg7 h TYR 984 CO -0.00 0.33 -0.02 0.82 -1.05 0.00 0.00 178.16 178.24 3kg7 h ILE 985 N 0.00 1.23 0.00 -2.88 2.04 -1.52 -1.74 117.51 114.64 3kg7 h ILE 985 Ca -0.00 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3kg7 h ILE 985 Cb 0.87 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3kg7 h ILE 985 CO 0.04 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.42 3kg7 n ALA 986 N -2.32 0.41 0.00 1.87 0.00 -0.79 -0.53 120.51 119.15 3kg7 n ALA 986 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3kg7 n ALA 986 Cb 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3kg7 n ALA 986 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kg7 n THR 988 N 0.06 0.00 0.01 0.00 -1.04 -0.65 -1.50 114.28 111.15 3kg7 n THR 988 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 3kg7 n THR 988 Cb 0.00 0.00 0.57 0.00 -1.82 0.00 0.00 70.33 69.08 3kg7 n THR 988 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kg7 h LEU 989 N 0.00 0.22 -0.34 -4.42 3.38 -1.08 -1.02 115.31 112.04 3kg7 h LEU 989 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3kg7 h LEU 989 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3kg7 h LEU 989 CO 0.00 0.13 -0.78 0.00 0.09 0.00 0.00 178.44 177.88 3kg7 h ALA 990 N 1.76 0.54 -0.45 1.53 0.00 -1.51 -0.71 119.26 120.42 3kg7 h ALA 990 Ca 0.21 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 3kg7 h ALA 990 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3kg7 h ALA 990 CO -0.04 0.78 -0.08 0.00 0.00 0.00 0.00 179.25 179.91 3kg7 h ALA 991 N 0.89 0.62 0.00 0.00 0.00 -1.51 -3.35 119.26 115.91 3kg7 h ALA 991 Ca -0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3kg7 h ALA 991 Cb 1.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kg7 h ALA 991 CO 0.13 0.49 -2.07 1.33 0.00 0.00 0.00 179.25 179.13 3kg7 n VAL 992 N -4.29 0.31 0.00 0.00 0.24 -0.63 -5.11 118.33 108.85 3kg7 n VAL 992 Ca -0.00 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 3kg7 n VAL 992 Cb 0.36 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3kg7 n VAL 992 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kg7 n GLY 993 N 1.36 -0.54 3.70 7.63 0.00 -0.27 -5.03 105.19 112.05 3kg7 n GLY 993 Ca -0.10 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 3kg7 n GLY 993 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kg7 s VAL 994 N -3.03 4.08 0.32 1.61 -7.23 -1.26 -4.13 120.40 110.76 3kg7 s VAL 994 Ca 0.00 -1.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 3kg7 s VAL 994 Cb 0.00 -2.97 -0.10 0.00 0.56 0.00 0.00 36.38 33.87 3kg7 s VAL 994 CO 0.00 0.08 1.36 -2.84 -0.31 0.00 0.00 175.10 173.39 3kg7 s PRO 995 N -2.44 4.30 0.03 4.82 0.02 -1.22 -4.90 135.00 135.61 3kg7 s PRO 995 Ca 0.27 2.29 -0.17 0.00 0.02 0.00 0.00 61.00 63.40 3kg7 s PRO 995 Cb -0.11 -3.06 0.03 0.00 0.02 0.00 0.00 34.50 31.37 3kg7 s PRO 995 CO 0.19 -0.29 0.39 0.00 -0.33 0.00 0.00 177.00 176.96 3kg7 s ALA 996 N -0.89 -0.94 -0.03 -1.55 0.00 -0.53 -4.76 121.76 113.06 3kg7 s ALA 996 Ca 0.52 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.84 3kg7 s ALA 996 Cb -0.41 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3kg7 s ALA 996 CO 0.52 -0.41 -0.21 0.00 0.00 0.00 0.00 175.76 175.67 3kg7 s ALA 997 N -2.20 1.74 -0.10 0.00 0.00 -1.26 -1.48 121.76 118.46 3kg7 s ALA 997 Ca -0.07 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3kg7 s ALA 997 Cb -0.02 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.63 3kg7 s ALA 997 CO -0.01 0.40 -0.19 0.08 0.00 0.00 0.00 175.76 176.04 3kg7 s VAL 998 N -0.35 1.71 0.31 0.00 1.01 -1.26 -1.11 120.40 120.71 3kg7 s VAL 998 Ca 0.04 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.30 3kg7 s VAL 998 Cb -0.09 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 3kg7 s VAL 998 CO 0.00 0.48 -0.04 -1.83 0.00 0.00 0.00 175.10 173.71 3kg7 s GLU 999 N 0.69 1.64 -1.22 2.72 -1.05 0.64 -4.29 118.70 117.83 3kg7 s GLU 999 Ca -0.12 -1.85 -0.12 0.00 -0.15 0.00 0.00 54.97 52.72 3kg7 s GLU 999 Cb -0.16 -1.23 -0.01 0.00 -0.44 0.00 0.00 34.13 32.29 3kg7 s GLU 999 CO 0.03 0.01 0.69 -0.25 0.95 0.00 0.00 175.26 176.69 3kg7 n ASP 1000N -0.66 -3.56 -4.70 0.83 10.43 -0.36 -1.01 116.55 117.52 3kg7 n ASP 1000Ca -0.05 -0.98 -0.40 0.00 2.57 0.00 0.00 54.79 55.94 3kg7 n ASP 1000Cb 0.64 -3.46 -0.05 0.00 1.84 0.00 0.00 41.12 40.09 3kg7 n ASP 1000CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3kg7 s ILE 1001N -3.61 5.04 -0.03 0.53 1.01 -0.19 -4.25 121.20 119.70 3kg7 s ILE 1001Ca 0.29 1.39 0.03 0.00 0.00 0.00 0.00 60.65 62.36 3kg7 s ILE 1001Cb -0.10 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.35 3kg7 s ILE 1001CO 0.86 0.21 -0.09 0.20 0.00 0.00 0.00 174.94 176.11 3kg7 s ASN 1002N 0.88 1.26 -0.16 3.58 0.01 0.14 -1.18 114.94 119.47 3kg7 s ASN 1002Ca 0.35 -0.20 -0.03 0.00 -0.71 0.00 0.00 52.86 52.28 3kg7 s ASN 1002Cb -0.17 -0.33 -0.02 0.00 0.41 0.00 0.00 41.25 41.14 3kg7 s ASN 1002CO 0.16 0.07 -0.06 -0.36 -1.51 0.00 0.00 177.10 175.40 3kg7 s PHE 1003N 0.17 2.95 0.00 2.20 0.08 -0.39 -1.50 117.98 121.49 3kg7 s PHE 1003Ca -0.03 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.53 3kg7 s PHE 1003Cb -0.08 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 3kg7 s PHE 1003CO 0.01 -0.16 0.00 1.04 -0.10 0.00 0.00 175.22 176.00 3kg7 n GLN 1004N 3.73 0.00 -2.15 0.44 3.00 -0.93 -4.82 117.38 116.66 3kg7 n GLN 1004Ca -0.18 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 3kg7 n GLN 1004Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.74 3kg7 n GLN 1004CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 3kg7 s GLN 1005N 3.72 4.36 0.62 -1.09 2.00 -1.16 -4.96 119.66 123.16 3kg7 s GLN 1005Ca 0.00 2.15 -0.15 0.00 -2.00 0.00 0.00 55.36 55.36 3kg7 s GLN 1005Cb 0.00 -3.15 -0.02 0.00 0.80 0.00 0.00 33.01 30.64 3kg7 s GLN 1005CO 0.00 -0.27 1.07 -1.25 -0.50 0.00 0.00 175.29 174.33 3kg7 s PRO 1006N -0.56 3.17 -0.49 1.67 0.04 -1.26 -4.17 135.00 133.40 3kg7 s PRO 1006Ca 0.55 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 3kg7 s PRO 1006Cb -0.39 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.19 3kg7 s PRO 1006CO 0.43 -0.93 0.61 -1.17 0.04 0.00 0.00 177.00 175.97 3kg7 s LEU 1007N -4.74 4.89 0.17 -3.56 0.20 -1.26 -5.02 118.68 109.36 3kg7 s LEU 1007Ca 0.63 -0.81 0.09 0.00 0.69 0.00 0.00 54.13 54.74 3kg7 s LEU 1007Cb -0.16 -2.48 -0.04 0.00 -0.43 0.00 0.00 46.19 43.07 3kg7 s LEU 1007CO 0.41 -0.84 -0.13 0.72 -0.29 0.00 0.00 176.35 176.22 3kg7 s PHE 1008N 2.61 2.57 -0.46 5.38 -0.12 -1.26 -1.61 117.98 125.10 3kg7 s PHE 1008Ca 0.16 -0.25 -0.05 0.00 -0.05 0.00 0.00 56.93 56.74 3kg7 s PHE 1008Cb -0.18 -1.27 0.12 0.00 -0.63 0.00 0.00 43.02 41.05 3kg7 s PHE 1008CO 0.13 0.50 0.28 -0.51 -0.05 0.00 0.00 175.22 175.57 3kg7 s LEU 1009N -2.72 5.41 0.06 -1.99 1.43 0.16 -4.98 118.68 116.06 3kg7 s LEU 1009Ca 0.23 -2.10 -0.27 0.00 -1.03 0.00 0.00 54.13 50.96 3kg7 s LEU 1009Cb -0.09 -1.89 -0.17 0.00 0.03 0.00 0.00 46.19 44.07 3kg7 s LEU 1009CO 0.14 -0.57 1.58 0.00 0.23 0.00 0.00 176.35 177.72 3kg7 h ALA 1010N 8.06 -0.43 -2.14 4.21 0.00 -1.94 -3.37 119.26 123.64 3kg7 h ALA 1010Ca -0.14 -0.12 -0.49 0.00 0.00 0.00 0.00 54.91 54.16 3kg7 h ALA 1010Cb 1.04 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3kg7 h ALA 1010CO 0.75 -0.70 -0.48 -1.21 0.00 0.00 0.00 179.25 177.61 3kg7 s GLU 1011N -5.75 3.08 0.35 0.00 0.41 -1.26 -4.94 118.70 110.60 3kg7 s GLU 1011Ca -0.15 -0.98 0.26 0.00 -0.41 0.00 0.00 54.97 53.69 3kg7 s GLU 1011Cb 0.04 -2.67 1.20 0.00 -1.78 0.00 0.00 34.13 30.91 3kg7 s GLU 1011CO 0.62 0.37 1.80 0.66 -0.49 0.00 0.00 175.26 178.21 3kg7 h SER 1012N 1.33 0.00 -0.32 -0.19 4.64 -2.05 -2.26 113.55 114.71 3kg7 h SER 1012Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kg7 h SER 1012Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kg7 h SER 1012CO 0.60 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.10 3kg7 n ASN 1013N -2.45 2.85 -4.71 4.97 6.94 -1.26 -4.63 115.26 116.96 3kg7 n ASN 1013Ca 0.01 -1.96 -0.43 0.00 -0.02 0.00 0.00 54.58 52.18 3kg7 n ASN 1013Cb 0.19 -0.21 -0.03 0.00 -2.36 0.00 0.00 39.78 37.37 3kg7 n ASN 1013CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3kg7 n THR 1014N 0.52 0.50 -4.89 5.53 -1.04 -0.85 -5.01 114.28 109.05 3kg7 n THR 1014Ca 0.11 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.05 61.70 3kg7 n THR 1014Cb 0.41 -1.83 -0.17 0.00 -1.82 0.00 0.00 70.33 66.93 3kg7 n THR 1014CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3kg7 s THR 1015N 0.53 1.73 -0.23 12.58 2.01 -1.26 -4.46 115.64 126.54 3kg7 s THR 1015Ca 0.71 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.89 3kg7 s THR 1015Cb -0.55 -1.52 0.03 0.00 0.01 0.00 0.00 72.50 70.46 3kg7 s THR 1015CO 0.41 0.49 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.59 3kg7 s ARG 1016N 0.57 2.84 -0.13 4.92 0.52 -0.32 -4.02 118.95 123.33 3kg7 s ARG 1016Ca -0.15 -0.96 -0.29 0.00 -0.52 0.00 0.00 55.73 53.81 3kg7 s ARG 1016Cb -0.17 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 3kg7 s ARG 1016CO 0.05 -0.35 1.27 -1.83 0.02 0.00 0.00 175.30 174.46 3kg7 s GLU 1017N 1.30 4.26 0.04 3.54 -1.05 -0.74 -0.79 118.70 125.26 3kg7 s GLU 1017Ca 0.01 1.70 0.07 0.00 -0.15 0.00 0.00 54.97 56.60 3kg7 s GLU 1017Cb -0.16 -3.72 -0.03 0.00 -0.44 0.00 0.00 34.13 29.78 3kg7 s GLU 1017CO -0.07 -0.65 -0.20 0.99 0.95 0.00 0.00 175.26 176.29 3kg7 s THR 1018N 3.17 2.67 -0.07 1.83 2.01 0.29 -2.15 115.64 123.38 3kg7 s THR 1018Ca 0.56 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 3kg7 s THR 1018Cb -0.23 -2.10 0.03 0.00 0.01 0.00 0.00 72.50 70.20 3kg7 s THR 1018CO 0.18 0.36 -0.01 -1.10 -0.69 0.00 0.00 174.62 173.36 3kg7 s GLN 1019N -1.35 0.70 0.42 4.92 -0.21 0.61 -2.03 119.66 122.72 3kg7 s GLN 1019Ca 0.14 0.06 0.06 0.00 0.02 0.00 0.00 55.36 55.64 3kg7 s GLN 1019Cb -0.10 -1.01 0.06 0.00 1.00 0.00 0.00 33.01 32.96 3kg7 s GLN 1019CO 0.04 -0.28 0.53 -0.11 -2.12 0.00 0.00 175.29 173.35 3kg7 n LEU 1020N 5.02 0.00 -3.15 2.90 0.00 0.09 -1.44 117.00 120.42 3kg7 n LEU 1020Ca -0.09 -1.90 0.05 0.00 0.00 0.00 0.00 56.01 54.07 3kg7 n LEU 1020Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 43.42 43.66 3kg7 n LEU 1020CO 0.12 -0.62 0.54 -0.22 0.00 0.00 0.00 177.39 177.21 3kg7 s LEU 1022N 0.00 -0.56 0.57 -1.96 2.96 0.74 -0.96 118.68 119.46 3kg7 s LEU 1022Ca 0.40 0.32 -0.17 0.00 -0.22 0.00 0.00 54.13 54.46 3kg7 s LEU 1022Cb -0.03 1.45 -0.05 0.00 0.50 0.00 0.00 46.19 48.06 3kg7 s LEU 1022CO 0.25 -0.10 1.05 -1.00 -1.32 0.00 0.00 176.35 175.23 3kg7 s HIS 1023N 2.94 2.99 0.33 5.38 3.76 0.98 -1.37 115.29 130.31 3kg7 s HIS 1023Ca 0.04 1.53 -0.28 0.00 -0.15 0.00 0.00 55.06 56.19 3kg7 s HIS 1023Cb -0.10 -3.02 -0.10 0.00 1.11 0.00 0.00 32.58 30.47 3kg7 s HIS 1023CO -0.13 -1.04 1.25 -0.08 -0.85 0.00 0.00 174.74 173.89 3kg7 s THR 1024N -2.33 2.90 0.35 1.30 -1.32 -1.26 -4.38 115.64 110.90 3kg7 s THR 1024Ca 0.65 0.88 -0.29 0.00 -1.21 0.00 0.00 61.69 61.72 3kg7 s THR 1024Cb -0.16 -3.55 -0.11 0.00 -1.51 0.00 0.00 72.50 67.16 3kg7 s THR 1024CO 0.33 0.19 1.53 0.00 -2.21 0.00 0.00 174.62 174.46 3kg7 n ALA 1025N 0.75 2.46 -1.62 11.08 0.00 -1.26 -4.74 120.51 127.18 3kg7 n ALA 1025Ca 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.73 3kg7 n ALA 1025Cb 0.43 -2.44 0.05 0.00 0.00 0.00 0.00 19.45 17.49 3kg7 n ALA 1025CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kg7 n ASP 1026N 0.97 0.15 -0.20 0.00 5.68 -0.44 -4.83 116.55 117.88 3kg7 n ASP 1026Ca 0.03 -1.20 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 3kg7 n ASP 1026Cb 0.38 -0.26 0.11 0.00 -1.14 0.00 0.00 41.12 40.21 3kg7 n ASP 1026CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3kg7 h ASN 1027N -0.40 0.15 0.61 -1.12 4.21 -1.95 0.11 115.58 117.19 3kg7 h ASN 1027Ca -0.12 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.48 3kg7 h ASN 1027Cb 0.35 0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 3kg7 h ASN 1027CO 0.09 0.09 0.00 0.52 -1.29 0.00 0.00 177.43 176.84 3kg7 n VAL 1028N -5.04 0.91 -0.84 2.81 0.31 -1.26 -4.89 118.33 110.33 3kg7 n VAL 1028Ca 0.09 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 3kg7 n VAL 1028Cb 0.29 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 3kg7 n VAL 1028CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kg7 n GLY 1029N 0.03 0.57 3.84 2.92 0.00 0.38 -4.77 105.19 108.17 3kg7 n GLY 1029Ca 0.03 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3kg7 n GLY 1029CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kg7 s LYS 1030N -0.27 4.02 -0.20 1.61 1.02 -1.26 -4.44 119.74 120.22 3kg7 s LYS 1030Ca 0.00 0.62 -0.03 0.00 0.02 0.00 0.00 55.97 56.58 3kg7 s LYS 1030Cb 0.00 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 3kg7 s LYS 1030CO 0.00 0.30 -0.06 -0.65 -0.92 0.00 0.00 175.35 174.01 3kg7 s GLN 1031N -2.54 3.39 0.28 1.68 -0.21 -1.00 -1.33 119.66 119.93 3kg7 s GLN 1031Ca 0.48 -0.63 -0.25 0.00 0.02 0.00 0.00 55.36 54.97 3kg7 s GLN 1031Cb -0.13 -2.93 -0.09 0.00 1.00 0.00 0.00 33.01 30.86 3kg7 s GLN 1031CO 0.19 -0.10 0.88 0.12 -2.12 0.00 0.00 175.29 174.26 3kg7 s PHE 1032N 1.22 3.74 -0.03 0.91 5.36 -1.26 -0.50 117.98 127.41 3kg7 s PHE 1032Ca 0.03 1.70 0.02 0.00 -0.96 0.00 0.00 56.93 57.72 3kg7 s PHE 1032Cb -0.14 -2.85 0.01 0.00 -0.34 0.00 0.00 43.02 39.69 3kg7 s PHE 1032CO -0.02 0.29 -0.08 0.08 -1.46 0.00 0.00 175.22 174.03 3kg7 s VAL 1033N -1.51 0.73 0.02 3.12 1.01 -1.26 -0.01 120.40 122.50 3kg7 s VAL 1033Ca 0.46 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3kg7 s VAL 1033Cb -0.19 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3kg7 s VAL 1033CO 0.24 0.24 -0.08 -1.61 0.00 0.00 0.00 175.10 173.90 3kg7 s GLU 1034N 0.42 0.56 -0.16 2.72 2.02 -1.26 -4.24 118.70 118.77 3kg7 s GLU 1034Ca -0.07 -0.51 0.01 0.00 0.02 0.00 0.00 54.97 54.43 3kg7 s GLU 1034Cb -0.11 -0.46 0.02 0.00 0.10 0.00 0.00 34.13 33.68 3kg7 s GLU 1034CO 0.01 0.11 -0.18 0.08 0.02 0.00 0.00 175.26 175.29 3kg7 s VAL 1035N -0.74 1.88 0.18 2.63 1.01 -0.23 -4.27 120.40 120.85 3kg7 s VAL 1035Ca -0.03 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.21 3kg7 s VAL 1035Cb -0.06 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3kg7 s VAL 1035CO 0.00 0.51 -0.21 -0.36 0.00 0.00 0.00 175.10 175.04 3kg7 s PHE 1036N 1.23 2.05 0.14 5.22 0.08 -0.52 0.17 117.98 126.35 3kg7 s PHE 1036Ca 0.02 -0.41 -0.06 0.00 0.12 0.00 0.00 56.93 56.60 3kg7 s PHE 1036Cb -0.14 -1.02 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 3kg7 s PHE 1036CO -0.09 0.41 0.19 -1.54 -0.10 0.00 0.00 175.22 174.08 3kg7 s SER 1037N -2.65 0.15 0.13 1.36 1.04 0.10 -0.28 113.70 113.55 3kg7 s SER 1037Ca 0.18 -0.96 -0.10 0.00 0.48 0.00 0.00 55.95 55.55 3kg7 s SER 1037Cb -0.07 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3kg7 s SER 1037CO 0.08 -0.81 0.27 0.00 0.98 0.00 0.00 173.24 173.77 3kg7 s ARG 1038N -3.98 1.04 -0.37 4.02 1.70 -0.91 0.14 118.95 120.60 3kg7 s ARG 1038Ca 0.17 -1.03 -0.29 0.00 -0.47 0.00 0.00 55.73 54.12 3kg7 s ARG 1038Cb 0.05 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.83 3kg7 s ARG 1038CO -0.01 -0.37 1.08 0.34 -1.08 0.00 0.00 175.30 175.26 3kg7 s ASP 1039N -2.91 6.83 0.14 -2.89 -1.08 -1.26 -1.79 116.67 113.72 3kg7 s ASP 1039Ca 0.11 0.85 -0.18 0.00 -0.52 0.00 0.00 52.55 52.81 3kg7 s ASP 1039Cb 0.03 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.97 3kg7 s ASP 1039CO -0.05 -0.99 1.75 1.23 0.52 0.00 0.00 175.17 177.63 3kg7 h GLY 1040N 10.41 0.37 0.95 2.66 0.00 -1.92 -2.93 103.07 112.62 3kg7 h GLY 1040Ca -0.21 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 3kg7 h GLY 1040CO 1.06 0.04 0.05 0.00 0.00 0.00 0.00 176.54 177.69 3kg7 h ALA 1041N 1.18 0.57 0.00 3.60 0.00 -1.91 -3.20 119.26 119.50 3kg7 h ALA 1041Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kg7 h ALA 1041Cb 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kg7 h ALA 1041CO -0.13 0.30 0.00 1.17 0.00 0.00 0.00 179.25 180.59 3kg7 n LYS 1042N -4.47 0.65 0.00 0.00 4.81 -1.15 -4.89 118.16 113.11 3kg7 n LYS 1042Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3kg7 n LYS 1042Cb 0.25 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.80 3kg7 n LYS 1042CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3kg7 n GLN 1043N -1.17 0.00 -0.81 1.64 1.13 -1.12 -4.96 117.38 112.10 3kg7 n GLN 1043Ca 0.18 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.92 3kg7 n GLN 1043Cb 0.19 -1.52 0.14 0.00 0.11 0.00 0.00 30.24 29.15 3kg7 n GLN 1043CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3kg7 n GLU 1044N -1.43 -0.27 -1.64 -1.09 1.02 -1.25 -4.94 120.64 111.04 3kg7 n GLU 1044Ca 0.00 -0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 56.78 3kg7 n GLU 1044Cb 0.00 -2.15 0.07 0.00 -0.02 0.00 0.00 31.44 29.34 3kg7 n GLU 1044CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3kg7 s GLU 1045N -4.07 2.53 0.24 3.49 2.12 -1.26 -4.42 118.70 117.34 3kg7 s GLU 1045Ca 0.64 1.57 -0.31 0.00 0.36 0.00 0.00 54.97 57.23 3kg7 s GLU 1045Cb -0.24 -1.90 -0.11 0.00 0.26 0.00 0.00 34.13 32.14 3kg7 s GLU 1045CO 0.61 -1.49 1.59 -1.58 -0.54 0.00 0.00 175.26 173.85 3kg7 s TRP 1046N -2.15 2.89 -0.10 5.30 0.52 -1.26 -4.72 118.94 119.43 3kg7 s TRP 1046Ca 0.71 0.70 0.01 0.00 0.02 0.00 0.00 56.10 57.53 3kg7 s TRP 1046Cb -0.24 -4.01 -0.02 0.00 -1.15 0.00 0.00 33.47 28.04 3kg7 s TRP 1046CO 0.42 -3.56 -0.12 -0.65 0.02 0.00 0.00 176.95 173.07 3kg7 s GLN 1047N 0.19 3.03 0.07 4.98 -0.21 0.12 -4.95 119.66 122.89 3kg7 s GLN 1047Ca 0.66 -0.65 -0.26 0.00 0.02 0.00 0.00 55.36 55.13 3kg7 s GLN 1047Cb -0.46 -2.57 -0.06 0.00 1.00 0.00 0.00 33.01 30.92 3kg7 s GLN 1047CO 0.41 0.42 0.81 -1.14 -2.12 0.00 0.00 175.29 173.66 3kg7 s GLN 1048N -0.17 4.54 -0.06 2.91 0.74 -1.26 -0.73 119.66 125.64 3kg7 s GLN 1048Ca 0.00 1.15 0.08 0.00 0.05 0.00 0.00 55.36 56.65 3kg7 s GLN 1048Cb -0.13 -3.36 -0.12 0.00 1.10 0.00 0.00 33.01 30.50 3kg7 s GLN 1048CO 0.03 0.29 0.09 0.72 -0.55 0.00 0.00 175.29 175.87 3kg7 n HIS 1049N 2.72 0.00 -3.52 1.67 8.25 0.13 -2.97 115.22 121.50 3kg7 n HIS 1049Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 3kg7 n HIS 1049Cb 0.50 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 3kg7 n HIS 1049CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kg7 s ALA 1050N -2.36 -1.81 0.07 -1.41 0.00 -1.17 -2.18 121.76 112.91 3kg7 s ALA 1050Ca -0.04 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 3kg7 s ALA 1050Cb 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3kg7 s ALA 1050CO 0.36 -0.51 0.07 -1.54 0.00 0.00 0.00 175.76 174.13 3kg7 s SER 1051N -1.81 0.33 -0.04 0.00 1.04 -0.56 -1.07 113.70 111.59 3kg7 s SER 1051Ca -0.01 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 55.57 3kg7 s SER 1051Cb -0.01 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3kg7 s SER 1051CO -0.02 -0.67 -0.12 -0.44 0.98 0.00 0.00 173.24 172.98 3kg7 s SER 1053N -2.91 1.56 -0.20 7.02 0.01 -0.18 -0.68 113.70 118.33 3kg7 s SER 1053Ca 0.08 -0.25 -0.27 0.00 1.31 0.00 0.00 55.95 56.81 3kg7 s SER 1053Cb 0.07 -0.50 -0.00 0.00 0.21 0.00 0.00 66.02 65.79 3kg7 s SER 1053CO -0.09 0.08 0.94 -0.69 0.41 0.00 0.00 173.24 173.88 3kg7 s VAL 1054N 0.29 4.78 0.69 3.43 1.01 0.34 -0.26 120.40 130.67 3kg7 s VAL 1054Ca -0.06 1.84 -0.17 0.00 0.00 0.00 0.00 61.98 63.59 3kg7 s VAL 1054Cb -0.11 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.05 3kg7 s VAL 1054CO 0.02 -0.08 1.28 -0.55 0.00 0.00 0.00 175.10 175.76 3kg7 s SER 1055N 1.20 4.34 0.22 3.32 0.15 -0.26 -2.36 113.70 120.31 3kg7 s SER 1055Ca 0.42 2.57 -0.06 0.00 0.70 0.00 0.00 55.95 59.57 3kg7 s SER 1055Cb -0.16 -2.61 0.20 0.00 -1.71 0.00 0.00 66.02 61.74 3kg7 s SER 1055CO 0.10 -2.18 1.76 1.05 1.20 0.00 0.00 173.24 175.17 3kg7 h GLU 1056N 0.19 1.07 -6.40 5.44 4.11 -1.86 -3.45 114.58 113.69 3kg7 h GLU 1056Ca -0.50 -0.23 -0.60 0.00 0.07 0.00 0.00 59.36 58.10 3kg7 h GLU 1056Cb 1.33 -0.15 -0.22 0.00 0.50 0.00 0.00 28.75 30.21 3kg7 h GLU 1056CO 0.51 0.93 -0.84 -0.80 0.07 0.00 0.00 179.01 178.88 3kg7 s ASN 1057N -6.47 2.78 0.72 3.06 -0.87 -1.26 -4.93 114.94 107.97 3kg7 s ASN 1057Ca -0.11 -0.70 -0.17 0.00 -1.57 0.00 0.00 52.86 50.31 3kg7 s ASN 1057Cb 0.15 -0.17 -0.09 0.00 -0.02 0.00 0.00 41.25 41.12 3kg7 s ASN 1057CO 0.83 0.10 0.06 -2.65 -2.57 0.00 0.00 177.10 172.88 3kg7 n PRO 1058N 1.07 0.14 -2.25 -0.60 -0.02 -1.26 -4.62 135.00 127.46 3kg7 n PRO 1058Ca -0.19 0.07 -0.35 0.00 -2.02 0.00 0.00 63.50 61.00 3kg7 n PRO 1058Cb 0.53 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3kg7 n PRO 1058CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kg7 s PRO 1059N -2.09 3.40 0.20 0.52 0.04 -1.26 -4.94 135.00 130.87 3kg7 s PRO 1059Ca 0.58 1.64 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 3kg7 s PRO 1059Cb -0.36 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 3kg7 s PRO 1059CO 0.66 -0.82 1.47 -1.25 0.04 0.00 0.00 177.00 177.10 3kg7 s PRO 1060N -3.20 4.26 0.08 0.56 0.04 -1.26 -4.89 135.00 130.59 3kg7 s PRO 1060Ca 0.72 2.28 -0.31 0.00 0.04 0.00 0.00 61.00 63.73 3kg7 s PRO 1060Cb -0.25 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.05 3kg7 s PRO 1060CO 0.28 -0.48 1.90 -1.25 0.04 0.00 0.00 177.00 177.50 3kg7 s PRO 1061N 0.32 4.14 0.54 0.56 0.04 -1.26 -4.88 135.00 134.46 3kg7 s PRO 1061Ca 0.63 2.61 -0.20 0.00 0.04 0.00 0.00 61.00 64.09 3kg7 s PRO 1061Cb -0.42 -3.87 -0.07 0.00 0.04 0.00 0.00 34.50 30.18 3kg7 s PRO 1061CO 0.37 -0.90 0.88 -2.30 0.04 0.00 0.00 177.00 175.10 3kg7 n PRO 1062N 6.60 0.94 -0.00 0.56 -0.02 -1.26 -4.95 135.00 136.86 3kg7 n PRO 1062Ca 0.19 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 3kg7 n PRO 1062Cb 0.39 -2.03 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 3kg7 n PRO 1062CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kg7 n THR 1063N -1.37 0.00 -2.26 3.45 -2.24 -1.26 -4.96 114.28 105.64 3kg7 n THR 1063Ca 0.12 -0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.31 3kg7 n THR 1063Cb 0.45 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 3kg7 n THR 1063CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3kg7 s LEU 1064N -3.63 4.14 0.02 3.22 2.96 -1.26 -4.98 118.68 119.15 3kg7 s LEU 1064Ca -0.03 2.36 -0.00 0.00 -0.22 0.00 0.00 54.13 56.24 3kg7 s LEU 1064Cb 0.06 -4.08 -0.02 0.00 0.50 0.00 0.00 46.19 42.65 3kg7 s LEU 1064CO 0.38 -0.77 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.07 3kg7 s SER 1065N -1.16 0.25 -0.04 3.68 0.15 -1.26 -2.44 113.70 112.88 3kg7 s SER 1065Ca 0.59 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.73 3kg7 s SER 1065Cb -0.31 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 3kg7 s SER 1065CO 0.38 -0.32 -0.06 -0.69 1.20 0.00 0.00 173.24 173.76 3kg7 s VAL 1066N -1.58 0.62 -1.01 4.45 1.01 0.02 -5.00 120.40 118.91 3kg7 s VAL 1066Ca -0.15 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 3kg7 s VAL 1066Cb -0.09 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.74 3kg7 s VAL 1066CO -0.01 0.23 1.42 -0.62 0.00 0.00 0.00 175.10 176.11 3kg7 s ASP 1067N 0.66 6.51 0.14 3.32 -1.08 -1.26 -4.29 116.67 120.66 3kg7 s ASP 1067Ca -0.09 -1.49 -0.26 0.00 -0.52 0.00 0.00 52.55 50.19 3kg7 s ASP 1067Cb -0.13 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.77 3kg7 s ASP 1067CO 0.01 -1.47 1.60 0.40 0.52 0.00 0.00 175.17 176.23 3kg7 h ILE 1068N 6.71 0.26 -0.93 4.11 1.08 -1.93 0.12 117.51 126.93 3kg7 h ILE 1068Ca 0.19 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.79 3kg7 h ILE 1068Cb 1.01 0.26 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 3kg7 h ILE 1068CO 1.40 0.00 0.59 -0.65 -0.69 0.00 0.00 178.15 178.80 3kg7 h PRO 1069N -0.39 0.79 -0.19 2.37 0.11 -1.97 0.13 132.00 132.86 3kg7 h PRO 1069Ca 0.10 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 65.96 3kg7 h PRO 1069Cb 0.55 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.49 3kg7 h PRO 1069CO -0.39 0.52 -0.70 0.00 -0.21 0.00 0.00 178.00 177.23 3kg7 h ALA 1070N 1.58 0.40 -0.53 -0.75 0.00 -1.74 -2.25 119.26 115.96 3kg7 h ALA 1070Ca 0.46 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3kg7 h ALA 1070Cb 0.61 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3kg7 h ALA 1070CO -0.22 0.69 0.18 1.25 0.00 0.00 0.00 179.25 181.15 3kg7 h LEU 1071N 0.55 0.76 -1.34 0.00 5.85 -0.15 -3.03 115.31 117.95 3kg7 h LEU 1071Ca -0.03 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 3kg7 h LEU 1071Cb 1.31 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3kg7 h LEU 1071CO 0.14 0.75 -0.16 0.00 -0.34 0.00 0.00 178.44 178.83 3kg7 h GLU 1073N 0.22 0.02 -0.00 0.00 5.08 -1.29 -2.66 114.58 115.96 3kg7 h GLU 1073Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3kg7 h GLU 1073Cb 0.43 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3kg7 h GLU 1073CO 0.03 0.33 -0.28 1.04 -1.00 0.00 0.00 179.01 179.13 3kg7 n GLN 1074N -4.16 0.17 -4.22 2.33 6.02 -0.88 -4.90 117.38 111.72 3kg7 n GLN 1074Ca -0.02 -0.07 -0.23 0.00 -0.01 0.00 0.00 57.00 56.67 3kg7 n GLN 1074Cb 0.36 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.06 3kg7 n GLN 1074CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kg7 s LEU 1075N -2.88 3.34 -0.24 1.08 1.02 -1.00 -4.91 118.68 115.08 3kg7 s LEU 1075Ca 0.16 -0.58 -0.12 0.00 0.02 0.00 0.00 54.13 53.60 3kg7 s LEU 1075Cb 0.18 -1.85 -0.05 0.00 0.02 0.00 0.00 46.19 44.49 3kg7 s LEU 1075CO 0.60 -0.05 0.23 -0.60 0.02 0.00 0.00 176.35 176.55 3kg7 s ARG 1076N -3.74 4.08 0.40 1.70 3.52 -0.31 -4.88 118.95 119.71 3kg7 s ARG 1076Ca 0.33 -0.15 -0.25 0.00 -0.13 0.00 0.00 55.73 55.53 3kg7 s ARG 1076Cb -0.06 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.68 3kg7 s ARG 1076CO 0.21 -0.01 1.12 -2.14 -0.81 0.00 0.00 175.30 173.67 3kg7 s PRO 1077N 1.27 4.11 0.11 5.12 0.02 -1.26 -0.87 135.00 143.49 3kg7 s PRO 1077Ca 0.11 1.72 0.08 0.00 0.02 0.00 0.00 61.00 62.92 3kg7 s PRO 1077Cb -0.14 -2.64 -0.04 0.00 0.02 0.00 0.00 34.50 31.70 3kg7 s PRO 1077CO 0.06 -0.24 -0.19 -0.48 -0.33 0.00 0.00 177.00 175.83 3kg7 s LEU 1078N -2.51 2.33 0.33 -5.54 0.05 -0.96 -4.93 118.68 107.44 3kg7 s LEU 1078Ca 0.57 -0.72 -0.29 0.00 0.05 0.00 0.00 54.13 53.74 3kg7 s LEU 1078Cb -0.28 -0.80 -0.11 0.00 -2.05 0.00 0.00 46.19 42.96 3kg7 s LEU 1078CO 0.35 0.01 1.50 -1.81 -0.55 0.00 0.00 176.35 175.84 3kg7 s ASP 1079N -2.06 6.43 0.35 1.48 1.11 -1.26 -4.58 116.67 118.14 3kg7 s ASP 1079Ca 0.07 2.94 0.08 0.00 0.18 0.00 0.00 52.55 55.81 3kg7 s ASP 1079Cb -0.09 -2.65 0.65 0.00 1.07 0.00 0.00 42.92 41.90 3kg7 s ASP 1079CO 0.04 -0.83 1.84 0.71 1.18 0.00 0.00 175.17 178.11 3kg7 h THR 1080N 3.19 1.22 -0.79 -1.27 1.35 -1.97 -2.84 112.91 111.79 3kg7 h THR 1080Ca -0.49 -1.00 0.15 0.00 -0.55 0.00 0.00 66.41 64.52 3kg7 h THR 1080Cb 1.23 1.30 -0.10 0.00 -1.73 0.00 0.00 68.15 68.85 3kg7 h THR 1080CO 0.71 0.31 0.35 0.44 -0.25 0.00 0.00 175.52 177.08 3kg7 h ASP 1081N 0.27 0.37 -0.96 5.36 3.32 -1.99 0.18 116.42 122.97 3kg7 h ASP 1081Ca 0.05 0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.26 3kg7 h ASP 1081Cb 0.50 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.05 3kg7 h ASP 1081CO 0.03 0.14 0.62 0.74 -1.72 0.00 0.00 179.24 179.05 3kg7 h THR 1082N 0.50 1.10 -0.12 0.35 2.02 -1.89 -1.67 112.91 113.20 3kg7 h THR 1082Ca 0.44 -0.39 -0.16 0.00 0.77 0.00 0.00 66.41 67.07 3kg7 h THR 1082Cb 0.66 -0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3kg7 h THR 1082CO -0.40 0.21 -0.54 -0.07 0.37 0.00 0.00 175.52 175.09 3kg7 h LEU 1083N 1.14 0.68 -1.01 2.58 3.38 -1.29 -2.96 115.31 117.84 3kg7 h LEU 1083Ca 0.41 -0.63 0.17 0.00 0.09 0.00 0.00 57.88 57.91 3kg7 h LEU 1083Cb 0.12 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.57 3kg7 h LEU 1083CO -0.16 1.20 0.62 0.74 0.09 0.00 0.00 178.44 180.93 3kg7 h THR 1084N 0.21 0.78 -0.57 0.22 2.02 -0.69 -1.28 112.91 113.60 3kg7 h THR 1084Ca -0.03 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 3kg7 h THR 1084Cb 1.18 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3kg7 h THR 1084CO 0.11 0.15 -0.06 -0.08 0.37 0.00 0.00 175.52 176.01 3kg7 h GLU 1085N 0.84 1.06 0.11 6.66 4.81 -1.31 -0.79 114.58 125.96 3kg7 h GLU 1085Ca 0.55 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3kg7 h GLU 1085Cb 0.76 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 3kg7 h GLU 1085CO -0.34 1.07 -0.21 0.82 -0.73 0.00 0.00 179.01 179.61 3kg7 h ILE 1086N 0.94 0.52 -0.49 2.32 1.08 -1.10 -1.35 117.51 119.44 3kg7 h ILE 1086Ca 0.15 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.63 3kg7 h ILE 1086Cb 0.63 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 3kg7 h ILE 1086CO 0.04 0.00 0.32 1.88 -0.69 0.00 0.00 178.15 179.70 3kg7 h TYR 1087N -0.40 0.60 -0.55 1.37 0.05 -1.20 -1.33 116.97 115.51 3kg7 h TYR 1087Ca 0.03 0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.92 3kg7 h TYR 1087Cb 0.42 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 3kg7 h TYR 1087CO -0.21 0.37 0.37 0.00 -1.05 0.00 0.00 178.16 177.65 3kg7 h ALA 1088N 1.18 2.05 0.00 3.88 0.00 -0.64 0.23 119.26 125.96 3kg7 h ALA 1088Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kg7 h ALA 1088Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kg7 h ALA 1088CO -0.05 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 177.90 3kg7 n SER 1089N -4.47 0.79 -1.24 0.00 3.41 -0.52 -1.74 113.62 109.86 3kg7 n SER 1089Ca 0.09 0.60 0.01 0.00 -0.26 0.00 0.00 58.87 59.31 3kg7 n SER 1089Cb 0.36 -0.80 0.25 0.00 -0.26 0.00 0.00 64.21 63.76 3kg7 n SER 1089CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3kg7 n ILE 1090N -2.27 2.53 -3.79 -1.33 -5.35 -0.63 -3.55 119.36 104.96 3kg7 n ILE 1090Ca 0.05 -2.07 -0.25 0.00 -0.27 0.00 0.00 62.75 60.20 3kg7 n ILE 1090Cb 0.38 -0.30 0.03 0.00 -1.74 0.00 0.00 39.64 38.01 3kg7 n ILE 1090CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3kg7 n SER 1091N -0.62 -2.93 -4.17 7.28 3.41 -0.71 -3.53 113.62 112.35 3kg7 n SER 1091Ca 0.30 -0.79 -0.30 0.00 -0.26 0.00 0.00 58.87 57.81 3kg7 n SER 1091Cb 1.06 -4.00 -0.17 0.00 -0.26 0.00 0.00 64.21 60.84 3kg7 n SER 1091CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3kg7 s LEU 1092N -6.97 1.98 -0.05 1.04 2.96 0.71 -1.44 118.68 116.92 3kg7 s LEU 1092Ca 0.31 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 3kg7 s LEU 1092Cb -0.16 -1.27 0.03 0.00 0.50 0.00 0.00 46.19 45.29 3kg7 s LEU 1092CO 0.82 0.13 -0.01 -0.69 -1.32 0.00 0.00 176.35 175.27 3kg7 s VAL 1093N 0.44 0.35 -0.32 1.68 1.01 -0.44 -2.19 120.40 120.92 3kg7 s VAL 1093Ca -0.17 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 3kg7 s VAL 1093Cb -0.17 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 3kg7 s VAL 1093CO 0.07 0.21 0.31 -0.31 0.00 0.00 0.00 175.10 175.38 3kg7 s TYR 1094N 1.30 3.22 0.90 5.22 1.51 -1.26 -1.91 117.35 126.33 3kg7 s TYR 1094Ca -0.06 0.03 -0.14 0.00 -1.01 0.00 0.00 57.07 55.89 3kg7 s TYR 1094Cb -0.13 -2.56 0.16 0.00 -0.11 0.00 0.00 41.96 39.32 3kg7 s TYR 1094CO -0.02 -0.34 1.26 0.20 -1.11 0.00 0.00 175.55 175.54 3kg7 s GLY 1095N 1.72 1.74 0.00 0.71 0.00 0.28 -4.73 107.32 107.04 3kg7 s GLY 1095Ca 0.10 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.71 3kg7 s GLY 1095CO 0.11 -0.43 0.00 -1.05 0.00 0.00 0.00 173.10 171.73 3kg7 n PRO 1096N -3.57 0.00 0.00 2.90 -0.02 -1.26 -2.15 135.00 130.90 3kg7 n PRO 1096Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3kg7 n PRO 1096Cb 0.60 -0.76 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 3kg7 n PRO 1096CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kg7 n LEU 1098N 0.61 0.00 -4.58 2.45 4.32 -1.26 -4.55 117.00 113.99 3kg7 n LEU 1098Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.60 3kg7 n LEU 1098Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 3kg7 n LEU 1098CO 0.00 0.00 1.82 -1.10 -1.22 0.00 0.00 177.39 176.89 3kg7 s GLN 1099N 0.00 3.60 0.00 3.23 -0.21 -0.91 -4.62 119.66 120.74 3kg7 s GLN 1099Ca 0.00 -1.71 0.15 0.00 0.02 0.00 0.00 55.36 53.82 3kg7 s GLN 1099Cb 0.00 -5.45 -0.11 0.00 1.00 0.00 0.00 33.01 28.45 3kg7 s GLN 1099CO 0.00 -2.66 0.72 0.00 -2.12 0.00 0.00 175.29 171.23 3kg7 n ALA 1100N 9.88 3.68 -2.81 6.09 0.00 -1.26 -4.42 120.51 131.67 3kg7 n ALA 1100Ca 0.47 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 3kg7 n ALA 1100Cb 0.47 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 3kg7 n ALA 1100CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kg7 s VAL 1101N -2.23 4.56 0.05 0.00 1.01 -1.26 -0.87 120.40 121.66 3kg7 s VAL 1101Ca 0.08 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 3kg7 s VAL 1101Cb 0.12 -4.51 -0.21 0.00 0.00 0.00 0.00 36.38 31.78 3kg7 s VAL 1101CO 0.54 -1.13 1.19 -0.09 0.00 0.00 0.00 175.10 175.61 3kg7 h ARG 1102N 9.28 0.60 -2.67 2.72 2.43 -0.90 -3.47 114.38 122.36 3kg7 h ARG 1102Ca -0.28 -0.58 -0.09 0.00 -0.81 0.00 0.00 59.98 58.23 3kg7 h ARG 1102Cb 1.08 0.15 -0.19 0.00 -0.42 0.00 0.00 29.97 30.59 3kg7 h ARG 1102CO 1.08 1.19 -0.07 -1.14 -1.51 0.00 0.00 179.97 179.53 3kg7 s GLN 1103N -3.43 0.87 -0.01 0.20 0.74 -1.16 -5.01 119.66 111.86 3kg7 s GLN 1103Ca -0.12 -0.08 0.04 0.00 0.05 0.00 0.00 55.36 55.25 3kg7 s GLN 1103Cb 0.06 0.40 -0.01 0.00 1.10 0.00 0.00 33.01 34.56 3kg7 s GLN 1103CO 0.87 -0.27 -0.13 0.00 -0.55 0.00 0.00 175.29 175.21 3kg7 s ALA 1104N -1.59 1.05 0.15 1.58 0.00 -1.26 -0.21 121.76 121.49 3kg7 s ALA 1104Ca -0.11 -0.56 0.08 0.00 0.00 0.00 0.00 51.96 51.37 3kg7 s ALA 1104Cb -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3kg7 s ALA 1104CO 0.04 0.25 -0.18 -1.58 0.00 0.00 0.00 175.76 174.30 3kg7 s TRP 1105N -0.34 1.77 -0.04 0.00 0.51 0.26 -2.26 118.94 118.85 3kg7 s TRP 1105Ca 0.05 -0.47 -0.04 0.00 -2.12 0.00 0.00 56.10 53.52 3kg7 s TRP 1105Cb -0.05 -0.90 0.01 0.00 -0.81 0.00 0.00 33.47 31.72 3kg7 s TRP 1105CO -0.00 0.30 0.10 -1.50 -0.51 0.00 0.00 176.95 175.34 3kg7 s ILE 1106N -1.96 0.00 0.02 2.03 2.07 -0.05 -1.69 121.20 121.62 3kg7 s ILE 1106Ca 0.14 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 3kg7 s ILE 1106Cb -0.06 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.37 3kg7 s ILE 1106CO 0.06 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 3kg7 n GLY 1107N 2.99 3.99 0.21 1.50 0.00 0.23 -1.16 105.19 112.96 3kg7 n GLY 1107Ca -0.13 -2.21 -0.13 0.00 0.00 0.00 0.00 46.02 43.55 3kg7 n GLY 1107CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kg7 h GLU 1108N 0.00 0.70 0.00 1.61 4.39 -1.94 -3.38 114.58 115.95 3kg7 h GLU 1108Ca -0.02 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3kg7 h GLU 1108Cb 0.06 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3kg7 h GLU 1108CO 0.03 0.99 0.00 -0.85 -1.16 0.00 0.00 179.01 178.02 3kg7 n GLU 1109N -4.26 3.80 -4.40 2.33 0.28 -1.26 -4.83 120.64 112.30 3kg7 n GLU 1109Ca -0.04 -0.16 -0.21 0.00 -0.16 0.00 0.00 57.16 56.60 3kg7 n GLU 1109Cb 0.48 -0.63 -0.10 0.00 1.43 0.00 0.00 31.44 32.62 3kg7 n GLU 1109CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3kg7 s THR 1110N -0.59 1.88 0.02 3.84 -4.23 -1.26 -3.44 115.64 111.86 3kg7 s THR 1110Ca 0.00 -2.23 -0.03 0.00 -1.18 0.00 0.00 61.69 58.26 3kg7 s THR 1110Cb 0.00 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 3kg7 s THR 1110CO 0.00 -0.46 0.03 -0.94 -0.54 0.00 0.00 174.62 172.72 3kg7 s SER 1111N -3.40 0.18 -0.02 3.99 1.04 -0.43 -0.60 113.70 114.46 3kg7 s SER 1111Ca 0.26 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.26 3kg7 s SER 1111Cb -0.00 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.28 3kg7 s SER 1111CO 0.10 -0.36 -0.00 -0.22 0.98 0.00 0.00 173.24 173.75 3kg7 s LEU 1112N -1.58 1.47 -0.10 2.42 2.96 -0.68 -1.19 118.68 121.99 3kg7 s LEU 1112Ca -0.13 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3kg7 s LEU 1112Cb -0.08 -0.14 -0.00 0.00 0.50 0.00 0.00 46.19 46.47 3kg7 s LEU 1112CO -0.01 -0.06 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.96 3kg7 s LEU 1113N 0.62 2.11 -0.29 -0.68 1.43 -0.44 -0.57 118.68 120.87 3kg7 s LEU 1113Ca -0.06 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.32 3kg7 s LEU 1113Cb -0.09 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 3kg7 s LEU 1113CO -0.01 0.17 0.49 -0.70 0.23 0.00 0.00 176.35 176.53 3kg7 s GLU 1114N 0.28 3.94 -0.06 1.70 2.12 0.71 -0.90 118.70 126.49 3kg7 s GLU 1114Ca -0.17 0.15 0.05 0.00 0.36 0.00 0.00 54.97 55.36 3kg7 s GLU 1114Cb -0.17 -3.69 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 3kg7 s GLU 1114CO 0.08 -0.42 -0.21 0.42 -0.54 0.00 0.00 175.26 174.60 3kg7 s ILE 1115N 2.30 2.45 0.20 -3.70 1.01 0.37 -0.17 121.20 123.65 3kg7 s ILE 1115Ca 0.20 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3kg7 s ILE 1115Cb -0.16 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3kg7 s ILE 1115CO 0.10 0.57 0.08 -1.83 0.00 0.00 0.00 174.94 173.86 3kg7 s GLU 1116N -0.26 1.18 -0.14 2.79 -1.05 -0.05 -1.44 118.70 119.73 3kg7 s GLU 1116Ca 0.00 -1.61 -0.29 0.00 -0.15 0.00 0.00 54.97 52.92 3kg7 s GLU 1116Cb -0.13 0.01 -0.02 0.00 -0.44 0.00 0.00 34.13 33.55 3kg7 s GLU 1116CO 0.03 -0.29 1.31 0.08 0.95 0.00 0.00 175.26 177.34 3kg7 s VAL 1117N -3.93 4.18 0.24 1.83 1.01 -1.20 -4.55 120.40 117.99 3kg7 s VAL 1117Ca 0.33 1.43 -0.31 0.00 0.00 0.00 0.00 61.98 63.43 3kg7 s VAL 1117Cb 0.07 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 3kg7 s VAL 1117CO 0.09 -0.11 1.65 -2.84 0.00 0.00 0.00 175.10 173.88 3kg7 s PRO 1118N 3.45 4.13 0.45 2.72 0.02 -1.26 -4.84 135.00 139.68 3kg7 s PRO 1118Ca 0.57 2.57 0.14 0.00 0.02 0.00 0.00 61.00 64.31 3kg7 s PRO 1118Cb -0.24 -3.06 1.07 0.00 0.02 0.00 0.00 34.50 32.30 3kg7 s PRO 1118CO 0.17 -0.68 2.02 0.87 -0.33 0.00 0.00 177.00 179.05 3kg7 h LYS 1119N 5.89 0.32 0.00 5.54 1.57 -1.87 0.28 116.57 128.29 3kg7 h LYS 1119Ca -0.45 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.24 3kg7 h LYS 1119Cb 1.21 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3kg7 h LYS 1119CO 0.88 0.21 -0.36 0.00 -0.57 0.00 0.00 179.45 179.61 3kg7 h ALA 1120N 1.76 1.13 0.00 3.86 0.00 -1.90 -3.27 119.26 120.83 3kg7 h ALA 1120Ca 0.20 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 3kg7 h ALA 1120Cb 0.38 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3kg7 h ALA 1120CO -0.05 0.45 -1.51 1.25 0.00 0.00 0.00 179.25 179.40 3kg7 h LEU 1121N 0.00 0.00 -0.39 0.00 5.85 -0.77 -3.41 115.31 116.59 3kg7 h LEU 1121Ca -0.00 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3kg7 h LEU 1121Cb 0.78 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 3kg7 h LEU 1121CO 0.05 0.86 -0.14 0.00 -0.34 0.00 0.00 178.44 178.87 3kg7 n ALA 1122N -2.47 -0.01 0.46 1.25 0.00 -0.61 -0.56 120.51 118.56 3kg7 n ALA 1122Ca -0.12 0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.79 3kg7 n ALA 1122Cb 0.97 -0.19 0.36 0.00 0.00 0.00 0.00 19.45 20.59 3kg7 n ALA 1122CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3kg7 n PHE 1123N -4.58 0.25 0.41 0.00 -0.00 -1.26 -2.75 117.46 109.52 3kg7 n PHE 1123Ca 0.04 0.10 0.11 0.00 -0.00 0.00 0.00 57.45 57.71 3kg7 n PHE 1123Cb 0.16 -0.66 -0.00 0.00 -0.00 0.00 0.00 39.48 38.99 3kg7 n PHE 1123CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3kg7 n GLN 1124N -1.73 0.39 -1.95 3.97 6.02 0.27 -4.94 117.38 119.42 3kg7 n GLN 1124Ca 0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.63 3kg7 n GLN 1124Cb 0.19 -1.63 0.02 0.00 1.02 0.00 0.00 30.24 29.83 3kg7 n GLN 1124CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kg7 s LEU 1125N -4.28 4.02 -0.35 1.08 1.43 -1.11 -4.94 118.68 114.53 3kg7 s LEU 1125Ca 0.02 2.68 0.14 0.00 -1.03 0.00 0.00 54.13 55.94 3kg7 s LEU 1125Cb 0.13 -4.11 0.43 0.00 0.03 0.00 0.00 46.19 42.68 3kg7 s LEU 1125CO 0.81 -1.19 1.20 0.00 0.23 0.00 0.00 176.35 177.41 3kg7 n ALA 1126N -0.47 2.39 -0.94 4.21 0.00 -1.26 -5.00 120.51 119.44 3kg7 n ALA 1126Ca 0.07 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.42 3kg7 n ALA 1126Cb 0.45 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3kg7 n ALA 1126CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kg7 n GLY 1127N -0.52 0.38 3.77 0.00 0.00 -1.26 -4.95 105.19 102.61 3kg7 n GLY 1127Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3kg7 n GLY 1127CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kg7 s GLU 1128N -0.69 3.88 0.27 1.61 1.03 -1.26 -4.92 118.70 118.61 3kg7 s GLU 1128Ca 0.00 2.32 -0.00 0.00 0.03 0.00 0.00 54.97 57.32 3kg7 s GLU 1128Cb 0.00 -2.75 0.59 0.00 -0.80 0.00 0.00 34.13 31.17 3kg7 s GLU 1128CO 0.00 -0.62 1.72 -1.35 -1.33 0.00 0.00 175.26 173.67 3kg7 h PRO 1129N 2.60 0.43 -2.48 -4.83 0.11 -1.90 -3.42 132.00 122.50 3kg7 h PRO 1129Ca -0.50 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 3kg7 h PRO 1129Cb 1.25 -0.10 -0.26 0.00 0.11 0.00 0.00 31.00 32.01 3kg7 h PRO 1129CO 0.62 0.28 -0.27 -1.50 -0.21 0.00 0.00 178.00 176.93 3kg7 s ILE 1130N -5.96 -0.26 0.37 4.15 2.07 -1.26 -1.44 121.20 118.87 3kg7 s ILE 1130Ca -0.12 0.10 -0.24 0.00 -1.41 0.00 0.00 60.65 58.98 3kg7 s ILE 1130Cb 0.23 -0.70 -0.10 0.00 0.13 0.00 0.00 42.46 42.02 3kg7 s ILE 1130CO 0.77 0.04 0.96 -2.28 -1.91 0.00 0.00 174.94 172.53 3kg7 s HIS 1131N 1.88 3.49 0.28 3.50 5.65 -1.26 -4.72 115.29 124.11 3kg7 s HIS 1131Ca -0.07 1.70 -0.04 0.00 0.25 0.00 0.00 55.06 56.90 3kg7 s HIS 1131Cb -0.09 -2.93 0.57 0.00 -1.18 0.00 0.00 32.58 28.95 3kg7 s HIS 1131CO -0.14 -0.03 1.59 -1.35 -0.65 0.00 0.00 174.74 174.15 3kg7 h PRO 1132N 2.63 0.03 -0.79 2.88 0.11 -1.90 -0.06 132.00 134.90 3kg7 h PRO 1132Ca -0.48 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 3kg7 h PRO 1132Cb 1.19 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 3kg7 h PRO 1132CO 0.63 0.02 0.46 0.28 -0.21 0.00 0.00 178.00 179.18 3kg7 h VAL 1133N 0.03 0.97 -0.05 3.15 2.07 -1.97 0.11 116.25 120.56 3kg7 h VAL 1133Ca 0.50 -0.28 -0.20 0.00 0.82 0.00 0.00 66.70 67.54 3kg7 h VAL 1133Cb 0.93 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3kg7 h VAL 1133CO -0.87 0.15 -0.81 -0.07 0.02 0.00 0.00 177.57 175.99 3kg7 h LEU 1134N 0.82 0.51 -0.73 2.57 3.38 -1.41 0.27 115.31 120.71 3kg7 h LEU 1134Ca 0.36 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3kg7 h LEU 1134Cb 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kg7 h LEU 1134CO -0.21 1.12 -0.49 -0.29 0.09 0.00 0.00 178.44 178.67 3kg7 h ILE 1135N 0.26 1.33 -0.58 1.22 2.10 -1.13 -3.11 117.51 117.61 3kg7 h ILE 1135Ca -0.05 -1.72 -0.08 0.00 1.08 0.00 0.00 64.86 64.09 3kg7 h ILE 1135Cb 1.41 1.77 -0.02 0.00 -1.09 0.00 0.00 36.82 38.89 3kg7 h ILE 1135CO 0.14 0.52 0.05 -0.78 -1.08 0.00 0.00 178.15 177.00 3kg7 h ASP 1136N 0.29 0.96 -0.41 2.19 3.58 -0.43 -2.98 116.42 119.62 3kg7 h ASP 1136Ca 0.01 -0.28 0.09 0.00 0.42 0.00 0.00 57.03 57.27 3kg7 h ASP 1136Cb 0.97 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 3kg7 h ASP 1136CO 0.08 1.01 0.28 0.00 -2.88 0.00 0.00 179.24 177.73 3kg7 h ALA 1137N 0.99 2.16 0.00 -0.78 0.00 -0.88 -1.55 119.26 119.20 3kg7 h ALA 1137Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kg7 h ALA 1137Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kg7 h ALA 1137CO 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.01 3kg7 n THR 1139N -3.08 0.64 1.26 0.00 -2.24 -0.58 -4.56 114.28 105.72 3kg7 n THR 1139Ca -0.01 -0.77 0.13 0.00 -2.27 0.00 0.00 64.05 61.13 3kg7 n THR 1139Cb 0.18 0.70 0.46 0.00 -2.10 0.00 0.00 70.33 69.57 3kg7 n THR 1139CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kg7 n ARG 1140N 1.37 0.63 -3.81 -0.78 3.00 -1.10 -4.85 116.66 111.12 3kg7 n ARG 1140Ca 0.20 -0.30 -0.12 0.00 -0.01 0.00 0.00 57.85 57.62 3kg7 n ARG 1140Cb 0.56 -1.49 -0.12 0.00 0.00 0.00 0.00 32.46 31.41 3kg7 n ARG 1140CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3kg7 s LEU 1141N -2.58 1.24 0.19 0.55 2.96 -1.26 -5.11 118.68 114.67 3kg7 s LEU 1141Ca 0.24 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 3kg7 s LEU 1141Cb 0.19 0.70 -0.05 0.00 0.50 0.00 0.00 46.19 47.54 3kg7 s LEU 1141CO 0.53 -0.10 -0.02 0.42 -1.32 0.00 0.00 176.35 175.86 3kg7 s THR 1142N -0.04 0.91 -1.26 3.68 -4.23 -1.26 -4.87 115.64 108.56 3kg7 s THR 1142Ca -0.01 -2.02 0.21 0.00 -1.18 0.00 0.00 61.69 58.69 3kg7 s THR 1142Cb -0.02 -2.17 0.30 0.00 1.34 0.00 0.00 72.50 71.95 3kg7 s THR 1142CO 0.00 -0.46 1.69 -2.65 -0.54 0.00 0.00 174.62 172.67 3kg7 n PRO 1143N -0.31 0.19 -0.09 3.99 -0.02 -1.26 -2.74 135.00 134.75 3kg7 n PRO 1143Ca -0.06 0.10 0.05 0.00 -2.02 0.00 0.00 63.50 61.57 3kg7 n PRO 1143Cb 0.63 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.68 3kg7 n PRO 1143CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kg7 n ASP 1144N -1.37 1.80 0.29 2.55 5.75 -1.26 -4.74 116.55 119.57 3kg7 n ASP 1144Ca 0.08 -2.48 0.14 0.00 -0.01 0.00 0.00 54.79 52.53 3kg7 n ASP 1144Cb 0.20 -0.24 0.67 0.00 -1.03 0.00 0.00 41.12 40.72 3kg7 n ASP 1144CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3kg7 h LEU 1145N 0.00 0.00 0.01 -2.12 5.85 -1.89 -2.05 115.31 115.11 3kg7 h LEU 1145Ca 0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 3kg7 h LEU 1145Cb 0.89 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 3kg7 h LEU 1145CO 0.00 0.00 -1.46 -0.26 -0.34 0.00 0.00 178.44 176.38 3kg7 h PHE 1146N 0.00 0.05 -0.14 1.25 -1.00 -1.85 -3.30 116.94 111.95 3kg7 h PHE 1146Ca 0.04 -0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 3kg7 h PHE 1146Cb 1.00 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.52 3kg7 h PHE 1146CO 0.00 1.05 0.09 -0.40 -1.61 0.00 0.00 178.31 177.44 3kg7 n ASP 1147N -3.19 3.31 -3.77 2.17 5.75 -0.77 -4.72 116.55 115.33 3kg7 n ASP 1147Ca -0.11 -2.26 -0.13 0.00 -0.01 0.00 0.00 54.79 52.28 3kg7 n ASP 1147Cb 1.01 -0.59 -0.10 0.00 -1.03 0.00 0.00 41.12 40.41 3kg7 n ASP 1147CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3kg7 s PHE 1148N -0.47 -0.25 0.00 2.11 0.40 -1.24 -5.07 117.98 113.46 3kg7 s PHE 1148Ca 0.08 0.54 0.00 0.00 -0.60 0.00 0.00 56.93 56.95 3kg7 s PHE 1148Cb 0.07 0.10 0.00 0.00 0.51 0.00 0.00 43.02 43.70 3kg7 s PHE 1148CO 0.01 -0.27 0.00 -1.13 0.70 0.00 0.00 175.22 174.54 3kg7 n SER 1149N 2.13 0.00 -4.35 1.36 3.41 -1.26 -4.97 113.62 109.94 3kg7 n SER 1149Ca -0.17 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.13 3kg7 n SER 1149Cb 0.57 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.37 3kg7 n SER 1149CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kg7 s SER 1150N 1.00 3.24 -1.04 4.04 0.01 -1.26 -5.01 113.70 114.67 3kg7 s SER 1150Ca 0.00 -0.49 -0.06 0.00 1.31 0.00 0.00 55.95 56.71 3kg7 s SER 1150Cb 0.00 -0.39 -0.01 0.00 0.21 0.00 0.00 66.02 65.84 3kg7 s SER 1150CO 0.00 0.29 2.80 0.47 0.41 0.00 0.00 173.24 177.22 3kg7 n ASP 1151N 2.11 7.53 -0.00 2.44 8.00 -1.26 -3.60 116.55 131.77 3kg7 n ASP 1151Ca -0.16 -2.90 0.06 0.00 0.71 0.00 0.00 54.79 52.50 3kg7 n ASP 1151Cb 0.52 -1.40 -0.08 0.00 -0.02 0.00 0.00 41.12 40.14 3kg7 n ASP 1151CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3kg7 n SER 1152N 2.17 0.80 0.00 -2.24 3.41 -1.26 -5.02 113.62 111.49 3kg7 n SER 1152Ca 0.61 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3kg7 n SER 1152Cb 0.40 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 3kg7 n SER 1152CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kg7 n GLY 1153N 1.37 0.76 3.72 5.00 0.00 -1.23 -5.02 105.19 109.79 3kg7 n GLY 1153Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3kg7 n GLY 1153CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kg7 s VAL 1154N -2.78 3.95 0.38 1.61 1.01 -1.26 -3.57 120.40 119.73 3kg7 s VAL 1154Ca 0.00 1.47 -0.25 0.00 0.00 0.00 0.00 61.98 63.21 3kg7 s VAL 1154Cb 0.00 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 3kg7 s VAL 1154CO 0.00 0.16 1.01 0.12 0.00 0.00 0.00 175.10 176.39 3kg7 s PHE 1155N 0.68 3.40 -0.48 5.22 5.36 -1.23 -4.71 117.98 126.22 3kg7 s PHE 1155Ca 0.56 1.68 -0.16 0.00 -0.96 0.00 0.00 56.93 58.06 3kg7 s PHE 1155Cb -0.30 -3.05 0.08 0.00 -0.34 0.00 0.00 43.02 39.41 3kg7 s PHE 1155CO 0.31 -0.35 0.43 -1.58 -1.46 0.00 0.00 175.22 172.57 3kg7 s TRP 1156N -1.67 3.23 -0.07 10.12 0.52 -1.26 -0.65 118.94 129.15 3kg7 s TRP 1156Ca 0.55 -0.94 -0.18 0.00 0.02 0.00 0.00 56.10 55.55 3kg7 s TRP 1156Cb -0.20 -3.28 -0.05 0.00 -1.15 0.00 0.00 33.47 28.79 3kg7 s TRP 1156CO 0.26 -0.84 0.50 0.00 0.02 0.00 0.00 176.95 176.89 3kg7 s ALA 1157N 1.71 3.50 0.24 0.98 0.00 0.12 -4.73 121.76 123.58 3kg7 s ALA 1157Ca 0.05 -0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 3kg7 s ALA 1157Cb -0.25 -2.64 -0.13 0.00 0.00 0.00 0.00 23.12 20.10 3kg7 s ALA 1157CO 0.07 0.10 1.48 -2.30 0.00 0.00 0.00 175.76 175.10 3kg7 n PRO 1158N 3.22 2.21 -0.01 0.00 -0.02 -1.26 0.05 135.00 139.19 3kg7 n PRO 1158Ca -0.08 0.79 -0.02 0.00 -2.02 0.00 0.00 63.50 62.17 3kg7 n PRO 1158Cb 0.52 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 3kg7 n PRO 1158CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 3kg7 n TRP 1159N 2.22 0.00 -3.47 6.00 -0.00 0.12 -4.77 117.44 117.53 3kg7 n TRP 1159Ca 0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.50 3kg7 n TRP 1159Cb 0.32 -0.07 -0.03 0.00 -0.00 0.00 0.00 31.31 31.53 3kg7 n TRP 1159CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 177.69 176.71 3kg7 s ARG 1160N -2.04 1.22 -0.04 5.87 1.70 -1.17 -1.26 118.95 123.23 3kg7 s ARG 1160Ca -0.03 -0.46 -0.00 0.00 -0.47 0.00 0.00 55.73 54.78 3kg7 s ARG 1160Cb 0.01 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.97 3kg7 s ARG 1160CO 0.04 -0.51 -0.00 0.08 -1.08 0.00 0.00 175.30 173.82 3kg7 s VAL 1161N -3.54 0.24 -0.03 4.99 1.01 -0.32 -0.67 120.40 122.08 3kg7 s VAL 1161Ca 0.00 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.83 3kg7 s VAL 1161Cb -0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 36.38 35.85 3kg7 s VAL 1161CO -0.11 0.18 1.13 0.50 0.00 0.00 0.00 175.10 176.80 3kg7 h LYS 1162N 7.53 -0.14 0.00 2.72 1.63 -1.15 -0.48 116.57 126.68 3kg7 h LYS 1162Ca -0.35 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.38 3kg7 h LYS 1162Cb 1.13 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.78 3kg7 h LYS 1162CO 0.41 0.32 -0.04 -1.91 -3.45 0.00 0.00 179.45 174.77 3kg7 n GLU 1163N -4.92 0.21 -3.64 1.90 2.13 -0.96 -1.22 120.64 114.14 3kg7 n GLU 1163Ca -0.08 -0.83 -0.03 0.00 0.66 0.00 0.00 57.16 56.88 3kg7 n GLU 1163Cb 0.26 0.80 -0.06 0.00 0.27 0.00 0.00 31.44 32.72 3kg7 n GLU 1163CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3kg7 s THR 1165N -2.55 0.00 -0.04 6.31 -4.23 0.30 0.66 115.64 116.09 3kg7 s THR 1165Ca 0.09 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 3kg7 s THR 1165Cb -0.00 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.87 3kg7 s THR 1165CO 0.06 0.00 0.04 -0.22 -0.54 0.00 0.00 174.62 173.96 3kg7 s LEU 1166N -0.53 0.59 -0.00 4.79 2.96 -0.55 -0.74 118.68 125.19 3kg7 s LEU 1166Ca 0.07 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3kg7 s LEU 1166Cb -0.03 -0.16 -0.27 0.00 0.50 0.00 0.00 46.19 46.23 3kg7 s LEU 1166CO -0.11 -0.19 0.82 0.28 -1.32 0.00 0.00 176.35 175.84 3kg7 h SER 1167N 7.94 0.33 -5.16 3.68 0.02 -0.86 -1.41 113.55 118.09 3kg7 h SER 1167Ca -0.27 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.17 3kg7 h SER 1167Cb 1.12 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 63.46 3kg7 h SER 1167CO 0.30 1.41 -0.05 -1.38 -1.14 0.00 0.00 176.83 175.97 3kg7 s HIS 1168N -2.62 0.15 0.64 3.45 -3.43 -1.26 -3.40 115.29 108.82 3kg7 s HIS 1168Ca -0.09 -0.52 -0.18 0.00 -0.80 0.00 0.00 55.06 53.48 3kg7 s HIS 1168Cb 0.07 0.30 -0.03 0.00 -1.43 0.00 0.00 32.58 31.49 3kg7 s HIS 1168CO 0.84 -0.98 0.97 -2.30 -2.00 0.00 0.00 174.74 171.27 3kg7 n PRO 1169N -0.36 0.80 -2.19 -0.38 -0.02 -1.26 -4.94 135.00 126.65 3kg7 n PRO 1169Ca -0.05 0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 61.35 3kg7 n PRO 1169Cb 0.62 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 3kg7 n PRO 1169CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kg7 s THR 1170N -1.58 2.89 0.94 3.45 -4.23 -0.52 -5.03 115.64 111.55 3kg7 s THR 1170Ca 0.76 0.84 -0.14 0.00 -1.18 0.00 0.00 61.69 61.97 3kg7 s THR 1170Cb -0.40 -3.51 0.16 0.00 1.34 0.00 0.00 72.50 70.09 3kg7 s THR 1170CO 0.47 0.16 1.19 -2.84 -0.54 0.00 0.00 174.62 173.06 3kg7 s PRO 1171N -1.96 0.91 0.40 3.99 0.02 -1.26 -4.96 135.00 132.14 3kg7 s PRO 1171Ca 0.52 0.04 0.09 0.00 0.02 0.00 0.00 61.00 61.67 3kg7 s PRO 1171Cb -0.36 -1.84 0.84 0.00 0.02 0.00 0.00 34.50 33.16 3kg7 s PRO 1171CO 0.47 -2.30 1.97 0.66 -0.33 0.00 0.00 177.00 177.47 3kg7 h SER 1172N -1.57 0.27 -3.57 2.53 4.64 -1.95 -3.40 113.55 110.49 3kg7 h SER 1172Ca -0.47 -0.04 -0.52 0.00 -0.47 0.00 0.00 61.79 60.29 3kg7 h SER 1172Cb 1.30 -0.07 -0.33 0.00 -0.31 0.00 0.00 62.40 63.00 3kg7 h SER 1172CO 0.54 0.35 -0.82 -0.13 -0.87 0.00 0.00 176.83 175.89 3kg7 s ARG 1173N -4.94 1.65 0.34 4.77 0.52 -1.26 -3.23 118.95 116.81 3kg7 s ARG 1173Ca -0.06 -0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 54.68 3kg7 s ARG 1173Cb 0.16 -1.39 0.01 0.00 0.52 0.00 0.00 34.95 34.24 3kg7 s ARG 1173CO 0.73 0.09 0.47 1.97 0.02 0.00 0.00 175.30 178.58 3kg7 n PHE 1174N 3.59 -1.41 -4.29 -0.53 1.16 -0.52 -3.90 117.46 111.56 3kg7 n PHE 1174Ca -0.21 -2.33 -0.22 0.00 -1.87 0.00 0.00 57.45 52.82 3kg7 n PHE 1174Cb 0.52 0.53 -0.12 0.00 -1.61 0.00 0.00 39.48 38.81 3kg7 n PHE 1174CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 3kg7 s TYR 1175N -2.96 1.70 -0.16 2.97 2.02 0.11 -0.48 117.35 120.54 3kg7 s TYR 1175Ca 0.29 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.53 3kg7 s TYR 1175Cb -0.01 -0.89 0.02 0.00 -0.40 0.00 0.00 41.96 40.68 3kg7 s TYR 1175CO 0.21 0.24 -0.18 0.00 -1.57 0.00 0.00 175.55 174.25 3kg7 s ALA 1176N -1.72 2.13 -0.16 3.71 0.00 -0.08 -1.24 121.76 124.40 3kg7 s ALA 1176Ca 0.10 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3kg7 s ALA 1176Cb -0.07 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.93 3kg7 s ALA 1176CO 0.05 -0.35 -0.15 -0.47 0.00 0.00 0.00 175.76 174.84 3kg7 s TYR 1177N 1.35 2.79 -0.21 0.00 5.04 0.72 -1.32 117.35 125.72 3kg7 s TYR 1177Ca 0.04 -1.10 -0.03 0.00 -2.44 0.00 0.00 57.07 53.55 3kg7 s TYR 1177Cb -0.13 -1.91 -0.00 0.00 0.35 0.00 0.00 41.96 40.27 3kg7 s TYR 1177CO -0.12 -0.52 -0.08 0.08 -1.34 0.00 0.00 175.55 173.58 3kg7 s VAL 1178N 0.91 3.08 -0.08 3.14 1.01 -0.33 -0.13 120.40 128.00 3kg7 s VAL 1178Ca -0.03 -0.59 0.15 0.00 0.00 0.00 0.00 61.98 61.50 3kg7 s VAL 1178Cb -0.15 -2.38 -0.17 0.00 0.00 0.00 0.00 36.38 33.68 3kg7 s VAL 1178CO -0.02 0.45 0.79 -0.33 0.00 0.00 0.00 175.10 176.00 3kg7 h GLU 1179N 7.99 0.00 -5.07 2.72 5.08 -1.82 -1.14 114.58 122.34 3kg7 h GLU 1179Ca -0.42 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.59 3kg7 h GLU 1179Cb 1.16 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.21 3kg7 h GLU 1179CO 0.61 0.40 -0.75 -1.21 -1.00 0.00 0.00 179.01 177.06 3kg7 s GLU 1180N -2.78 0.79 0.71 2.33 2.02 -1.22 -4.39 118.70 116.15 3kg7 s GLU 1180Ca -0.03 -1.01 -0.16 0.00 0.02 0.00 0.00 54.97 53.79 3kg7 s GLU 1180Cb 0.08 -0.63 0.03 0.00 0.10 0.00 0.00 34.13 33.71 3kg7 s GLU 1180CO 0.82 0.12 1.23 -2.14 0.02 0.00 0.00 175.26 175.31 3kg7 s PRO 1181N -2.13 2.26 0.22 0.39 0.02 -1.25 -4.72 135.00 129.79 3kg7 s PRO 1181Ca -0.00 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 62.55 3kg7 s PRO 1181Cb -0.07 -1.84 -0.11 0.00 0.02 0.00 0.00 34.50 32.50 3kg7 s PRO 1181CO 0.01 -1.77 1.56 -1.54 -0.33 0.00 0.00 177.00 174.94 3kg7 s SER 1182N -1.85 6.52 0.11 2.53 1.04 -1.26 -4.96 113.70 115.83 3kg7 s SER 1182Ca 0.77 2.74 -0.30 0.00 0.48 0.00 0.00 55.95 59.64 3kg7 s SER 1182Cb -0.31 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.14 3kg7 s SER 1182CO 0.43 -0.84 1.08 0.00 0.98 0.00 0.00 173.24 174.89 3kg7 s ARG 1183N 0.37 4.57 -0.17 4.02 1.70 0.37 -4.82 118.95 124.99 3kg7 s ARG 1183Ca 0.66 1.63 -0.01 0.00 -0.47 0.00 0.00 55.73 57.54 3kg7 s ARG 1183Cb -0.45 -3.34 -0.01 0.00 -0.57 0.00 0.00 34.95 30.58 3kg7 s ARG 1183CO 0.38 0.01 -0.12 0.08 -1.08 0.00 0.00 175.30 174.57 3kg7 s VAL 1184N 0.32 2.95 -0.40 4.99 1.01 -1.26 -0.85 120.40 127.15 3kg7 s VAL 1184Ca 0.51 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 3kg7 s VAL 1184Cb -0.27 -2.28 0.11 0.00 0.00 0.00 0.00 36.38 33.95 3kg7 s VAL 1184CO 0.31 0.49 0.19 0.21 0.00 0.00 0.00 175.10 176.31 3kg7 s ASN 1185N 0.90 5.20 0.01 3.32 2.47 -1.19 -5.01 114.94 120.64 3kg7 s ASN 1185Ca -0.03 -2.05 -0.25 0.00 0.42 0.00 0.00 52.86 50.95 3kg7 s ASN 1185Cb -0.15 -1.81 -0.17 0.00 -1.45 0.00 0.00 41.25 37.67 3kg7 s ASN 1185CO -0.00 -0.53 1.32 -0.33 -3.72 0.00 0.00 177.10 173.84 3kg7 h GLU 1186N 7.99 -0.25 0.00 0.43 5.08 -1.96 0.46 114.58 126.33 3kg7 h GLU 1186Ca -0.12 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3kg7 h GLU 1186Cb 1.04 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3kg7 h GLU 1186CO 0.68 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.76 3kg7 n GLN 1187N -5.06 0.70 0.00 2.33 10.64 -1.26 -1.82 117.38 122.91 3kg7 n GLN 1187Ca -0.09 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 3kg7 n GLN 1187Cb 0.23 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.12 3kg7 n GLN 1187CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3kg7 n LEU 1188N -0.99 0.00 -3.34 2.61 7.94 -1.16 -5.07 117.00 117.00 3kg7 n LEU 1188Ca 0.16 -0.32 -0.16 0.00 -1.11 0.00 0.00 56.01 54.58 3kg7 n LEU 1188Cb 0.08 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.10 3kg7 n LEU 1188CO 0.12 0.00 0.06 0.00 -1.11 0.00 0.00 177.39 176.46 3kg7 n GLN 1189N -1.02 -3.94 -3.53 1.96 6.02 0.16 -4.99 117.38 112.04 3kg7 n GLN 1189Ca 0.00 0.85 -0.29 0.00 -0.01 0.00 0.00 57.00 57.55 3kg7 n GLN 1189Cb 0.00 -5.80 -0.14 0.00 1.02 0.00 0.00 30.24 25.32 3kg7 n GLN 1189CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3kg7 s THR 1190N -3.39 0.03 0.08 5.09 -4.23 -0.91 -3.89 115.64 108.42 3kg7 s THR 1190Ca 0.28 -1.02 -0.31 0.00 -1.18 0.00 0.00 61.69 59.46 3kg7 s THR 1190Cb -0.04 -1.05 -0.06 0.00 1.34 0.00 0.00 72.50 72.70 3kg7 s THR 1190CO 0.74 -0.79 1.20 -0.13 -0.54 0.00 0.00 174.62 175.10 3kg7 s ARG 1191N 1.83 4.44 -0.02 3.99 0.52 -0.93 -3.16 118.95 125.62 3kg7 s ARG 1191Ca 0.11 1.78 0.03 0.00 -0.52 0.00 0.00 55.73 57.13 3kg7 s ARG 1191Cb -0.18 -3.33 -0.00 0.00 0.52 0.00 0.00 34.95 31.95 3kg7 s ARG 1191CO -0.27 -0.23 -0.10 0.45 0.02 0.00 0.00 175.30 175.16 3kg7 s SER 1192N 0.94 1.24 0.29 0.23 0.15 -0.03 -0.76 113.70 115.76 3kg7 s SER 1192Ca 0.58 -0.19 -0.08 0.00 0.70 0.00 0.00 55.95 56.95 3kg7 s SER 1192Cb -0.30 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 3kg7 s SER 1192CO 0.30 0.11 0.49 -0.72 1.20 0.00 0.00 173.24 174.61 3kg7 s TYR 1193N -0.08 0.66 -0.01 3.44 1.13 -0.38 -0.48 117.35 121.63 3kg7 s TYR 1193Ca 0.01 -0.99 0.08 0.00 -1.41 0.00 0.00 57.07 54.76 3kg7 s TYR 1193Cb -0.06 0.10 -0.02 0.00 -1.10 0.00 0.00 41.96 40.88 3kg7 s TYR 1193CO -0.00 -1.08 -0.24 -0.51 -2.51 0.00 0.00 175.55 171.20 3kg7 s ASP 1194N -3.12 2.88 -0.06 -0.18 1.01 -1.26 -0.70 116.67 115.24 3kg7 s ASP 1194Ca 0.26 -0.47 0.02 0.00 0.71 0.00 0.00 52.55 53.07 3kg7 s ASP 1194Cb -0.01 -0.31 0.01 0.00 1.01 0.00 0.00 42.92 43.63 3kg7 s ASP 1194CO 0.14 0.29 -0.11 -0.63 0.21 0.00 0.00 175.17 175.06 3kg7 s ILE 1195N -0.62 1.08 -0.14 0.77 1.09 -0.43 -4.41 121.20 118.53 3kg7 s ILE 1195Ca 0.10 -0.44 -0.12 0.00 -1.10 0.00 0.00 60.65 59.08 3kg7 s ILE 1195Cb -0.09 -1.00 -0.05 0.00 -1.06 0.00 0.00 42.46 40.26 3kg7 s ILE 1195CO -0.00 0.34 0.24 -1.10 -0.10 0.00 0.00 174.94 174.32 3kg7 s GLN 1196N 0.71 4.05 -0.28 2.79 -1.52 0.82 -0.87 119.66 125.36 3kg7 s GLN 1196Ca -0.14 0.02 -0.14 0.00 -1.95 0.00 0.00 55.36 53.15 3kg7 s GLN 1196Cb -0.16 -3.36 -0.04 0.00 -0.22 0.00 0.00 33.01 29.24 3kg7 s GLN 1196CO 0.03 0.41 0.33 -0.51 -0.25 0.00 0.00 175.29 175.30 3kg7 s LEU 1197N -0.02 4.07 -0.01 2.90 1.02 -0.02 -0.20 118.68 126.42 3kg7 s LEU 1197Ca 0.15 0.17 0.07 0.00 0.02 0.00 0.00 54.13 54.54 3kg7 s LEU 1197Cb -0.13 -2.34 -0.02 0.00 0.02 0.00 0.00 46.19 43.71 3kg7 s LEU 1197CO 0.04 -0.17 -0.23 -0.76 0.02 0.00 0.00 176.35 175.26 3kg7 s LEU 1198N 1.99 2.28 0.00 1.79 1.43 -0.37 -1.09 118.68 124.71 3kg7 s LEU 1198Ca 0.13 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3kg7 s LEU 1198Cb -0.16 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.67 3kg7 s LEU 1198CO 0.10 0.31 0.02 -0.90 0.23 0.00 0.00 176.35 176.11 3kg7 n ASP 1199N 2.19 -0.21 0.18 2.29 3.85 0.78 0.07 116.55 125.70 3kg7 n ASP 1199Ca -0.16 -0.90 0.05 0.00 -0.71 0.00 0.00 54.79 53.07 3kg7 n ASP 1199Cb 0.52 -0.01 0.51 0.00 -1.35 0.00 0.00 41.12 40.78 3kg7 n ASP 1199CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3kg7 h GLU 1200N 0.00 0.13 0.00 0.11 4.81 -1.89 -2.08 114.58 115.65 3kg7 h GLU 1200Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kg7 h GLU 1200Cb 0.01 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3kg7 h GLU 1200CO 0.00 0.19 0.00 1.79 -0.73 0.00 0.00 179.01 180.27 3kg7 h THR 1201N 0.13 0.00 0.00 0.32 1.35 -1.94 -3.47 112.91 109.30 3kg7 h THR 1201Ca 0.03 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3kg7 h THR 1201Cb 0.18 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3kg7 h THR 1201CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3kg7 n GLY 1202N 0.93 0.93 3.71 5.82 0.00 -0.78 -4.69 105.19 111.10 3kg7 n GLY 1202Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3kg7 n GLY 1202CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kg7 s GLN 1203N -0.82 4.56 0.23 1.61 2.00 -1.26 -0.80 119.66 125.17 3kg7 s GLN 1203Ca 0.00 1.34 -0.30 0.00 -2.00 0.00 0.00 55.36 54.40 3kg7 s GLN 1203Cb 0.00 -3.45 -0.09 0.00 0.80 0.00 0.00 33.01 30.27 3kg7 s GLN 1203CO 0.00 0.00 1.24 0.00 -0.50 0.00 0.00 175.29 176.03 3kg7 s ALA 1204N 0.84 3.47 0.00 1.58 0.00 -1.02 -0.16 121.76 126.48 3kg7 s ALA 1204Ca 0.49 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.50 3kg7 s ALA 1204Cb -0.21 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3kg7 s ALA 1204CO 0.27 -0.44 0.15 1.97 0.00 0.00 0.00 175.76 177.71 3kg7 n PHE 1205N 2.08 0.00 -3.61 0.00 -1.74 -0.25 -4.68 117.46 109.26 3kg7 n PHE 1205Ca 0.03 -0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.88 3kg7 n PHE 1205Cb 0.44 -0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.42 3kg7 n PHE 1205CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3kg7 s GLY 1206N -0.01 -0.36 -0.05 4.97 0.00 -1.18 -0.19 107.32 110.50 3kg7 s GLY 1206Ca 0.00 0.79 -0.17 0.00 0.00 0.00 0.00 44.72 45.35 3kg7 s GLY 1206CO 0.00 0.23 0.38 -1.60 0.00 0.00 0.00 173.10 172.11 3kg7 s ARG 1207N -2.94 0.67 -0.24 2.90 3.52 0.08 -0.84 118.95 122.10 3kg7 s ARG 1207Ca 0.09 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.75 3kg7 s ARG 1207Cb -0.00 0.31 0.05 0.00 -1.56 0.00 0.00 34.95 33.74 3kg7 s ARG 1207CO -0.04 -0.17 -0.13 0.42 -0.81 0.00 0.00 175.30 174.56 3kg7 s ILE 1208N -0.97 2.12 -0.14 4.11 1.01 -0.05 -0.54 121.20 126.74 3kg7 s ILE 1208Ca -0.10 -1.43 -0.05 0.00 0.00 0.00 0.00 60.65 59.07 3kg7 s ILE 1208Cb -0.04 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3kg7 s ILE 1208CO 0.04 0.12 0.03 0.20 0.00 0.00 0.00 174.94 175.34 3kg7 s ASN 1209N 1.16 5.44 -1.06 3.58 -0.87 0.21 -1.32 114.94 122.09 3kg7 s ASN 1209Ca -0.05 0.11 -0.07 0.00 -1.57 0.00 0.00 52.86 51.28 3kg7 s ASN 1209Cb -0.18 -1.79 0.01 0.00 -0.02 0.00 0.00 41.25 39.27 3kg7 s ASN 1209CO -0.07 0.27 0.93 0.61 -2.57 0.00 0.00 177.10 176.26 3kg7 n GLY 1210N 2.91 -0.22 3.59 0.66 0.00 -1.14 -1.14 105.19 109.84 3kg7 n GLY 1210Ca -0.18 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3kg7 n GLY 1210CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kg7 s PHE 1211N -3.25 1.76 -0.17 1.61 2.19 0.13 -3.40 117.98 116.83 3kg7 s PHE 1211Ca 0.45 0.69 -0.04 0.00 0.33 0.00 0.00 56.93 58.35 3kg7 s PHE 1211Cb -0.20 -4.10 -0.03 0.00 -1.31 0.00 0.00 43.02 37.38 3kg7 s PHE 1211CO 0.57 -2.81 -0.02 0.99 1.83 0.00 0.00 175.22 175.78 3kg7 s THR 1212N 7.48 3.92 0.11 0.12 2.01 0.16 -1.25 115.64 128.18 3kg7 s THR 1212Ca 0.78 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.48 3kg7 s THR 1212Cb -0.20 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 3kg7 s THR 1212CO 0.31 0.47 0.10 0.68 -0.69 0.00 0.00 174.62 175.49 3kg7 s VAL 1213N 0.63 4.52 0.03 3.82 -7.23 0.06 0.10 120.40 122.34 3kg7 s VAL 1213Ca -0.02 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 3kg7 s VAL 1213Cb -0.14 -3.23 -0.02 0.00 0.56 0.00 0.00 36.38 33.55 3kg7 s VAL 1213CO 0.02 0.04 -0.07 -0.75 -0.31 0.00 0.00 175.10 174.04 3kg7 s LYS 1214N -2.64 0.49 0.20 4.82 2.20 0.11 -2.20 119.74 122.72 3kg7 s LYS 1214Ca 0.30 -0.64 -0.32 0.00 -0.36 0.00 0.00 55.97 54.95 3kg7 s LYS 1214Cb -0.11 -0.29 -0.11 0.00 -1.51 0.00 0.00 37.83 35.81 3kg7 s LYS 1214CO 0.23 0.05 1.64 1.03 -0.36 0.00 0.00 175.35 177.94 3kg7 s ARG 1215N -1.30 4.16 -0.29 4.03 0.52 -1.25 0.11 118.95 124.94 3kg7 s ARG 1215Ca -0.08 2.50 -0.03 0.00 -0.52 0.00 0.00 55.73 57.60 3kg7 s ARG 1215Cb -0.09 -3.10 0.10 0.00 0.52 0.00 0.00 34.95 32.38 3kg7 s ARG 1215CO 0.00 -0.67 0.12 0.00 0.02 0.00 0.00 175.30 174.77 3kg7 s ALA 1216N 0.99 0.87 0.57 2.13 0.00 0.18 -4.85 121.76 121.65 3kg7 s ALA 1216Ca 0.71 -1.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.28 3kg7 s ALA 1216Cb -0.47 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 3kg7 s ALA 1216CO 0.34 -1.61 1.21 -2.14 0.00 0.00 0.00 175.76 173.55 3kg7 s PRO 1217N 1.96 3.10 0.29 0.00 0.02 -1.26 -3.70 135.00 135.42 3kg7 s PRO 1217Ca 0.09 1.84 0.04 0.00 0.02 0.00 0.00 61.00 62.98 3kg7 s PRO 1217Cb -0.16 -2.01 0.67 0.00 0.02 0.00 0.00 34.50 33.02 3kg7 s PRO 1217CO -0.31 -1.11 1.78 1.03 -0.33 0.00 0.00 177.00 178.06 3kg7 h SER 1218N 1.08 0.76 -0.57 2.53 0.87 -1.96 0.16 113.55 116.42 3kg7 h SER 1218Ca -0.50 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.10 3kg7 h SER 1218Cb 1.29 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.17 3kg7 h SER 1218CO 0.56 0.30 0.21 1.56 -0.53 0.00 0.00 176.83 178.93 3kg7 h GLN 1219N 0.78 0.92 0.23 2.24 4.20 -1.95 -1.34 115.11 120.18 3kg7 h GLN 1219Ca 0.55 -0.17 -0.33 0.00 0.06 0.00 0.00 58.65 58.76 3kg7 h GLN 1219Cb 0.79 -0.15 0.03 0.00 0.30 0.00 0.00 27.48 28.45 3kg7 h GLN 1219CO -0.36 0.78 -1.52 1.25 -0.67 0.00 0.00 178.83 178.30 3kg7 h LEU 1220N 0.89 0.76 0.07 1.46 5.85 -1.63 -3.36 115.31 119.35 3kg7 h LEU 1220Ca 0.20 -0.93 -0.00 0.00 0.84 0.00 0.00 57.88 57.99 3kg7 h LEU 1220Cb 0.23 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3kg7 h LEU 1220CO -0.01 1.72 -0.03 0.15 -0.34 0.00 0.00 178.44 179.93 3kg7 h PHE 1221N 0.10 -0.08 -0.77 1.25 3.57 -0.57 -3.25 116.94 117.18 3kg7 h PHE 1221Ca -0.28 -0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.75 3kg7 h PHE 1221Cb 2.12 0.03 -0.23 0.00 2.79 0.00 0.00 35.95 40.66 3kg7 h PHE 1221CO 0.13 0.41 0.60 1.28 -2.23 0.00 0.00 178.31 178.49 3kg7 n LEU 1222N -4.88 6.57 0.00 0.59 4.77 -0.52 -4.60 117.00 118.93 3kg7 n LEU 1222Ca -0.09 -3.52 0.00 0.00 -0.03 0.00 0.00 56.01 52.38 3kg7 n LEU 1222Cb 0.27 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 3kg7 n LEU 1222CO 0.32 1.16 0.00 1.17 -1.33 0.00 0.00 177.39 178.70