#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 0.42 0.07 1.57 2.43 -1.94 0.35 114.38 117.29 3kg7 h ARG 940 Ca 0.00 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 3kg7 h ARG 940 Cb 0.00 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3kg7 h ARG 940 CO 0.00 0.28 -0.47 1.25 -1.51 0.00 0.00 179.97 179.52 3kg7 h LEU 941 N 0.44 0.24 0.00 3.80 5.85 -1.95 -3.40 115.31 120.28 3kg7 h LEU 941 Ca 0.22 -0.96 -0.13 0.00 0.84 0.00 0.00 57.88 57.85 3kg7 h LEU 941 Cb 0.32 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3kg7 h LEU 941 CO -0.06 1.22 -1.71 0.18 -0.34 0.00 0.00 178.44 177.73 3kg7 n LEU 942 N -4.35 0.44 0.00 2.25 4.77 -1.18 -5.07 117.00 113.86 3kg7 n LEU 942 Ca -0.13 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3kg7 n LEU 942 Cb 0.66 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 3kg7 n LEU 942 CO 0.41 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3kg7 n GLY 943 N 1.39 0.48 3.79 -0.72 0.00 0.12 -4.02 105.19 106.24 3kg7 n GLY 943 Ca -0.11 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 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 6.73 -0.22 1.61 -0.87 -0.39 -2.60 114.94 115.20 3kg7 s ASN 944 Ca 0.00 0.87 -0.14 0.00 -1.57 0.00 0.00 52.86 52.02 3kg7 s ASN 944 Cb 0.00 -2.25 -0.04 0.00 -0.02 0.00 0.00 41.25 38.93 3kg7 s ASN 944 CO 0.00 0.21 0.30 -0.75 -2.57 0.00 0.00 177.10 174.30 3kg7 s LYS 945 N -0.44 4.13 -0.09 -0.60 2.20 -1.26 -1.46 119.74 122.22 3kg7 s LYS 945 Ca 0.23 0.01 0.03 0.00 -0.36 0.00 0.00 55.97 55.89 3kg7 s LYS 945 Cb -0.16 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 3kg7 s LYS 945 CO 0.11 -0.01 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.74 3kg7 s LEU 946 N 1.25 1.88 -0.28 5.43 2.96 0.35 -5.00 118.68 125.27 3kg7 s LEU 946 Ca 0.14 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.50 3kg7 s LEU 946 Cb -0.14 -1.16 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 3kg7 s LEU 946 CO 0.07 0.09 0.17 -1.61 -1.32 0.00 0.00 176.35 173.75 3kg7 s GLU 947 N 0.55 3.84 -0.15 1.98 2.02 -1.26 -0.60 118.70 125.08 3kg7 s GLU 947 Ca -0.16 -0.39 -0.29 0.00 0.02 0.00 0.00 54.97 54.15 3kg7 s GLU 947 Cb -0.17 -3.60 -0.01 0.00 0.10 0.00 0.00 34.13 30.45 3kg7 s GLU 947 CO 0.05 -0.21 1.22 -0.51 0.02 0.00 0.00 175.26 175.84 3kg7 s LEU 948 N 1.72 4.19 0.30 1.80 1.43 0.37 -4.91 118.68 123.59 3kg7 s LEU 948 Ca 0.07 1.67 0.04 0.00 -1.03 0.00 0.00 54.13 54.88 3kg7 s LEU 948 Cb -0.16 -3.54 0.48 0.00 0.03 0.00 0.00 46.19 42.99 3kg7 s LEU 948 CO 0.09 -0.71 1.75 0.00 0.23 0.00 0.00 176.35 177.71 3kg7 h ALA 949 N 7.96 1.17 -0.19 4.21 0.00 -1.97 -2.24 119.26 128.20 3kg7 h ALA 949 Ca -0.27 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.15 3kg7 h ALA 949 Cb 1.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3kg7 h ALA 949 CO 0.95 0.53 -0.51 1.03 0.00 0.00 0.00 179.25 181.26 3kg7 h SER 950 N 0.36 0.77 0.00 0.00 0.87 -1.97 -3.38 113.55 110.20 3kg7 h SER 950 Ca 0.05 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 3kg7 h SER 950 Cb 0.64 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3kg7 h SER 950 CO 0.05 1.21 -0.91 0.35 -0.53 0.00 0.00 176.83 177.00 3kg7 n THR 951 N -4.15 0.00 -1.34 2.23 -2.24 -1.24 -5.00 114.28 102.54 3kg7 n THR 951 Ca -0.06 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 3kg7 n THR 951 Cb 0.60 0.57 -0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 2.00 0.43 3.94 3.38 0.00 -0.84 -4.74 105.19 109.36 3kg7 n GLY 952 Ca -0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.70 3.02 -0.07 1.61 -0.21 -1.25 -4.30 119.66 115.75 3kg7 s GLN 953 Ca 0.00 -0.34 0.02 0.00 0.02 0.00 0.00 55.36 55.06 3kg7 s GLN 953 Cb 0.00 -2.47 0.02 0.00 1.00 0.00 0.00 33.01 31.56 3kg7 s GLN 953 CO 0.00 -0.41 -0.11 0.99 -2.12 0.00 0.00 175.29 173.64 3kg7 s THR 954 N -2.69 1.07 -0.12 -0.19 2.01 -0.27 -0.48 115.64 114.97 3kg7 s THR 954 Ca 0.50 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 3kg7 s THR 954 Cb -0.10 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 3kg7 s THR 954 CO 0.40 0.35 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.94 3kg7 s ILE 955 N 0.82 3.31 -0.28 1.82 1.01 0.24 0.17 121.20 128.29 3kg7 s ILE 955 Ca -0.12 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 3kg7 s ILE 955 Cb -0.15 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.94 3kg7 s ILE 955 CO 0.02 0.53 0.03 -0.31 0.00 0.00 0.00 174.94 175.21 3kg7 s TYR 956 N 0.14 3.13 0.00 3.97 2.02 -0.35 -0.50 117.35 125.77 3kg7 s TYR 956 Ca -0.05 -1.23 0.08 0.00 -0.37 0.00 0.00 57.07 55.50 3kg7 s TYR 956 Cb -0.15 -2.19 -0.02 0.00 -0.40 0.00 0.00 41.96 39.21 3kg7 s TYR 956 CO 0.04 -0.64 -0.26 -3.38 -1.57 0.00 0.00 175.55 169.74 3kg7 s HIS 957 N 1.43 2.31 0.17 2.71 -3.43 -0.53 -1.00 115.29 116.94 3kg7 s HIS 957 Ca 0.01 -0.43 -0.14 0.00 -0.80 0.00 0.00 55.06 53.70 3kg7 s HIS 957 Cb -0.17 -1.46 0.02 0.00 -1.43 0.00 0.00 32.58 29.54 3kg7 s HIS 957 CO 0.00 0.01 0.42 1.14 -2.00 0.00 0.00 174.74 174.31 3kg7 s GLN 958 N -0.80 1.23 -0.39 -0.38 -2.07 -0.83 -1.27 119.66 115.15 3kg7 s GLN 958 Ca 0.10 -0.92 -0.20 0.00 -1.82 0.00 0.00 55.36 52.52 3kg7 s GLN 958 Cb -0.10 0.46 0.01 0.00 -1.09 0.00 0.00 33.01 32.29 3kg7 s GLN 958 CO -0.00 -0.49 0.63 -0.51 -1.32 0.00 0.00 175.29 173.60 3kg7 s ASP 959 N -2.88 6.38 -0.18 12.60 1.11 -1.26 -0.88 116.67 131.56 3kg7 s ASP 959 Ca 0.10 -0.06 -0.20 0.00 0.18 0.00 0.00 52.55 52.57 3kg7 s ASP 959 Cb 0.01 -2.32 -0.03 0.00 1.07 0.00 0.00 42.92 41.65 3kg7 s ASP 959 CO -0.05 -0.66 0.57 -0.63 1.18 0.00 0.00 175.17 175.59 3kg7 s ILE 960 N 2.74 5.08 0.27 0.77 1.01 -0.10 -4.80 121.20 126.16 3kg7 s ILE 960 Ca 0.23 1.09 -0.20 0.00 0.00 0.00 0.00 60.65 61.77 3kg7 s ILE 960 Cb -0.14 -3.90 0.06 0.00 0.01 0.00 0.00 42.46 38.49 3kg7 s ILE 960 CO 0.16 0.18 0.89 0.54 0.00 0.00 0.00 174.94 176.71 3kg7 s ASN 961 N 1.07 -0.06 0.50 3.58 2.20 -1.26 -1.44 114.94 119.52 3kg7 s ASN 961 Ca 0.27 -0.79 0.33 0.00 -0.94 0.00 0.00 52.86 51.74 3kg7 s ASN 961 Cb -0.16 0.66 1.64 0.00 -2.00 0.00 0.00 41.25 41.39 3kg7 s ASN 961 CO 0.11 -1.28 2.01 -0.07 -2.94 0.00 0.00 177.10 174.93 3kg7 h LEU 962 N 2.00 0.00 0.00 3.54 3.38 -1.79 0.14 115.31 122.58 3kg7 h LEU 962 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3kg7 h LEU 962 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3kg7 h LEU 962 CO 0.34 0.00 -0.00 -1.13 0.09 0.00 0.00 178.44 177.74 3kg7 h ASN 963 N 0.00 0.00 0.39 -0.43 -1.24 -1.95 -2.72 115.58 109.63 3kg7 h ASN 963 Ca 0.00 -0.86 -0.23 0.00 0.71 0.00 0.00 56.30 55.92 3kg7 h ASN 963 Cb 0.20 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.25 3kg7 h ASN 963 CO 0.00 0.86 -0.97 0.78 -1.29 0.00 0.00 177.43 176.81 3kg7 h ASN 964 N -0.85 0.50 -2.07 1.15 2.35 -1.80 -3.39 115.58 111.46 3kg7 h ASN 964 Ca -0.00 -0.41 -0.57 0.00 -0.55 0.00 0.00 56.30 54.76 3kg7 h ASN 964 Cb 0.86 -0.15 -0.40 0.00 0.05 0.00 0.00 38.32 38.68 3kg7 h ASN 964 CO 0.00 1.22 -0.91 1.41 -1.65 0.00 0.00 177.43 177.51 3kg7 n HIS 965 N -3.71 1.21 0.01 1.19 8.25 0.47 -4.96 115.22 117.68 3kg7 n HIS 965 Ca -0.07 -3.79 0.22 0.00 -0.26 0.00 0.00 57.72 53.82 3kg7 n HIS 965 Cb 0.86 -0.43 0.73 0.00 1.12 0.00 0.00 29.99 32.26 3kg7 n HIS 965 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3kg7 h PRO 966 N 4.05 0.00 0.00 -0.41 0.13 -1.67 -2.44 132.00 131.66 3kg7 h PRO 966 Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 3kg7 h PRO 966 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 3kg7 h PRO 966 CO 0.61 0.00 -0.13 0.11 -0.23 0.00 0.00 178.00 178.36 3kg7 h TRP 967 N 0.00 0.00 -0.79 1.56 5.08 -1.93 -2.40 115.95 117.47 3kg7 h TRP 967 Ca 0.26 0.00 0.04 0.00 1.08 0.00 0.00 58.89 60.27 3kg7 h TRP 967 Cb 1.21 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.32 3kg7 h TRP 967 CO 0.00 0.13 0.52 0.82 -1.28 0.00 0.00 178.44 178.63 3kg7 h ILE 968 N 0.00 1.11 0.00 0.12 2.04 -1.80 0.34 117.51 119.32 3kg7 h ILE 968 Ca -0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3kg7 h ILE 968 Cb 0.27 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3kg7 h ILE 968 CO 0.02 0.17 0.00 1.23 0.00 0.00 0.00 178.15 179.57 3kg7 h GLY 969 N 0.95 0.00 -2.35 5.37 0.00 -1.63 -0.89 103.07 104.53 3kg7 h GLY 969 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3kg7 h GLY 969 CO -0.10 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.66 3kg7 n ASP 970 N -2.40 3.53 -4.01 0.19 8.00 0.10 -4.59 116.55 117.36 3kg7 n ASP 970 Ca -0.00 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.18 3kg7 n ASP 970 Cb 0.12 -0.28 -0.11 0.00 -0.02 0.00 0.00 41.12 40.84 3kg7 n ASP 970 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3kg7 s HIS 971 N -1.42 3.41 -0.28 1.24 2.46 -0.34 0.75 115.29 121.11 3kg7 s HIS 971 Ca 0.40 -3.02 -0.09 0.00 0.47 0.00 0.00 55.06 52.81 3kg7 s HIS 971 Cb 0.23 -2.99 -0.03 0.00 -0.13 0.00 0.00 32.58 29.66 3kg7 s HIS 971 CO 0.32 -0.74 0.14 1.03 -2.47 0.00 0.00 174.74 173.01 3kg7 s ARG 972 N -0.54 3.68 -0.15 2.88 0.52 -0.82 -1.80 118.95 122.72 3kg7 s ARG 972 Ca 0.20 -0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 54.87 3kg7 s ARG 972 Cb -0.18 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 3kg7 s ARG 972 CO -0.05 -0.25 0.01 0.08 0.02 0.00 0.00 175.30 175.10 3kg7 s VAL 973 N 1.67 4.30 -1.56 3.52 1.01 -0.64 -1.46 120.40 127.24 3kg7 s VAL 973 Ca 0.06 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 3kg7 s VAL 973 Cb -0.16 -2.89 0.09 0.00 0.00 0.00 0.00 36.38 33.42 3kg7 s VAL 973 CO 0.07 0.51 0.71 -1.22 0.00 0.00 0.00 175.10 175.17 3kg7 n TYR 974 N 3.23 -1.84 -2.16 5.22 4.01 -0.38 -0.64 117.16 124.61 3kg7 n TYR 974 Ca -0.17 0.81 -0.17 0.00 -0.16 0.00 0.00 57.90 58.20 3kg7 n TYR 974 Cb 0.53 -3.48 -0.03 0.00 -0.31 0.00 0.00 39.34 36.05 3kg7 n TYR 974 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3kg7 n ASP 975 N -2.82 -4.88 -4.10 7.72 2.03 -1.26 -4.97 116.55 108.28 3kg7 n ASP 975 Ca -0.07 0.18 -0.28 0.00 0.52 0.00 0.00 54.79 55.13 3kg7 n ASP 975 Cb 0.57 -4.17 -0.17 0.00 -0.72 0.00 0.00 41.12 36.63 3kg7 n ASP 975 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3kg7 s THR 976 N -2.74 1.57 -0.11 5.18 2.01 0.19 -5.06 115.64 116.69 3kg7 s THR 976 Ca 0.00 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 60.99 3kg7 s THR 976 Cb 0.00 -1.40 -0.06 0.00 0.01 0.00 0.00 72.50 71.05 3kg7 s THR 976 CO 0.00 0.45 1.92 -2.84 -0.69 0.00 0.00 174.62 173.47 3kg7 s PRO 977 N 0.66 3.77 0.03 4.92 0.02 -1.26 -1.63 135.00 141.51 3kg7 s PRO 977 Ca -0.13 2.17 0.06 0.00 0.02 0.00 0.00 61.00 63.12 3kg7 s PRO 977 Cb -0.16 -4.18 -0.02 0.00 0.02 0.00 0.00 34.50 30.16 3kg7 s PRO 977 CO 0.04 -1.36 -0.18 0.54 -0.33 0.00 0.00 177.00 175.71 3kg7 s VAL 978 N 5.71 1.43 -0.30 3.83 0.11 -0.74 -0.97 120.40 129.47 3kg7 s VAL 978 Ca 0.86 -1.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.62 3kg7 s VAL 978 Cb -0.35 -1.24 0.01 0.00 -1.53 0.00 0.00 36.38 33.28 3kg7 s VAL 978 CO 0.36 0.21 1.04 -0.63 -3.33 0.00 0.00 175.10 172.74 3kg7 s ILE 979 N -0.70 4.57 0.44 7.04 1.01 -0.60 -4.75 121.20 128.21 3kg7 s ILE 979 Ca 0.06 1.75 -0.26 0.00 0.00 0.00 0.00 60.65 62.20 3kg7 s ILE 979 Cb -0.08 -4.37 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 3kg7 s ILE 979 CO 0.01 -0.39 1.43 -2.16 0.00 0.00 0.00 174.94 173.83 3kg7 s PRO 980 N 3.49 3.74 0.22 2.79 0.04 -1.26 -4.56 135.00 139.46 3kg7 s PRO 980 Ca 0.44 2.44 -0.09 0.00 0.04 0.00 0.00 61.00 63.82 3kg7 s PRO 980 Cb -0.13 -2.69 0.32 0.00 0.04 0.00 0.00 34.50 32.04 3kg7 s PRO 980 CO 0.13 -0.78 1.70 0.78 0.04 0.00 0.00 177.00 178.87 3kg7 h GLY 981 N 2.41 0.81 1.58 0.56 0.00 -1.96 -2.11 103.07 104.36 3kg7 h GLY 981 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3kg7 h GLY 981 CO 0.61 -0.12 0.18 -0.39 0.00 0.00 0.00 176.54 176.82 3kg7 h VAL 982 N 0.27 0.00 -0.74 4.60 -1.51 -1.93 -1.64 116.25 115.29 3kg7 h VAL 982 Ca 0.33 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.90 3kg7 h VAL 982 Cb 0.50 0.54 -0.05 0.00 -2.13 0.00 0.00 31.29 30.15 3kg7 h VAL 982 CO -0.42 0.00 0.49 0.28 -1.23 0.00 0.00 177.57 176.69 3kg7 h SER 983 N 0.00 0.58 1.54 4.19 0.02 -1.65 -1.28 113.55 116.95 3kg7 h SER 983 Ca 0.00 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3kg7 h SER 983 Cb 0.36 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3kg7 h SER 983 CO 0.00 0.35 -0.18 1.88 -1.14 0.00 0.00 176.83 177.74 3kg7 h TYR 984 N 0.65 0.00 0.04 3.45 0.05 -1.51 -2.82 116.97 116.83 3kg7 h TYR 984 Ca 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.12 3kg7 h TYR 984 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3kg7 h TYR 984 CO -0.00 0.18 -0.02 0.82 -1.05 0.00 0.00 178.16 178.08 3kg7 h ILE 985 N 0.00 1.29 0.00 -2.88 2.04 -1.42 -1.98 117.51 114.56 3kg7 h ILE 985 Ca -0.00 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.67 3kg7 h ILE 985 Cb 0.99 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 3kg7 h ILE 985 CO 0.02 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.47 3kg7 n ALA 986 N -2.40 0.33 0.00 1.87 0.00 -0.70 -0.46 120.51 119.14 3kg7 n ALA 986 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3kg7 n ALA 986 Cb 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 0.11 0.00 0.05 0.00 -1.04 -0.74 -1.66 114.28 110.98 3kg7 n THR 988 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 3kg7 n THR 988 Cb 0.00 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 68.96 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 0.38 -0.24 -4.42 3.38 -1.03 -1.27 115.31 112.10 3kg7 h LEU 989 Ca 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3kg7 h LEU 989 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3kg7 h LEU 989 CO 0.00 0.30 -0.29 0.00 0.09 0.00 0.00 178.44 178.54 3kg7 h ALA 990 N 1.77 0.84 0.19 1.53 0.00 -1.57 0.55 119.26 122.57 3kg7 h ALA 990 Ca 0.12 -0.27 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 3kg7 h ALA 990 Cb -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kg7 h ALA 990 CO -0.02 0.37 -1.37 0.00 0.00 0.00 0.00 179.25 178.23 3kg7 h ALA 991 N 1.71 -0.04 0.00 0.00 0.00 -1.55 -3.37 119.26 116.01 3kg7 h ALA 991 Ca -0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 54.91 53.97 3kg7 h ALA 991 Cb 1.13 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3kg7 h ALA 991 CO 0.04 0.82 -2.01 1.33 0.00 0.00 0.00 179.25 179.43 3kg7 n VAL 992 N -3.64 0.30 0.00 0.00 0.24 -0.71 -5.11 118.33 109.41 3kg7 n VAL 992 Ca -0.13 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 3kg7 n VAL 992 Cb 1.06 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 1.35 -1.11 3.83 7.63 0.00 0.18 -5.02 105.19 112.05 3kg7 n GLY 993 Ca -0.09 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.06 4.66 0.47 1.61 -7.23 -1.26 -4.27 120.40 111.32 3kg7 s VAL 994 Ca 0.00 -1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.93 3kg7 s VAL 994 Cb 0.00 -3.39 -0.07 0.00 0.56 0.00 0.00 36.38 33.48 3kg7 s VAL 994 CO 0.00 -0.12 1.20 -2.84 -0.31 0.00 0.00 175.10 173.04 3kg7 s PRO 995 N -3.17 3.70 -0.07 4.82 0.02 -1.23 -4.94 135.00 134.14 3kg7 s PRO 995 Ca 0.32 1.87 -0.30 0.00 0.02 0.00 0.00 61.00 62.91 3kg7 s PRO 995 Cb -0.10 -2.42 0.09 0.00 0.02 0.00 0.00 34.50 32.09 3kg7 s PRO 995 CO 0.25 -0.63 0.81 0.00 -0.33 0.00 0.00 177.00 177.10 3kg7 s ALA 996 N -1.48 -1.82 -0.04 -1.55 0.00 -0.74 -4.79 121.76 111.34 3kg7 s ALA 996 Ca 0.64 1.34 0.05 0.00 0.00 0.00 0.00 51.96 53.99 3kg7 s ALA 996 Cb -0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 3kg7 s ALA 996 CO 0.38 -0.40 -0.20 0.00 0.00 0.00 0.00 175.76 175.54 3kg7 s ALA 997 N -1.49 1.71 -0.08 0.00 0.00 -1.26 -1.79 121.76 118.84 3kg7 s ALA 997 Ca -0.05 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.14 3kg7 s ALA 997 Cb -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 3kg7 s ALA 997 CO 0.04 0.34 -0.24 0.08 0.00 0.00 0.00 175.76 175.98 3kg7 s VAL 998 N -0.14 2.06 0.14 0.00 1.01 -1.26 -0.42 120.40 121.79 3kg7 s VAL 998 Ca -0.01 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 60.99 3kg7 s VAL 998 Cb -0.11 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3kg7 s VAL 998 CO 0.02 0.56 -0.13 -1.61 0.00 0.00 0.00 175.10 173.94 3kg7 s GLU 999 N 0.16 1.08 -1.21 2.72 2.02 0.13 -4.27 118.70 119.33 3kg7 s GLU 999 Ca -0.13 -1.35 -0.14 0.00 0.02 0.00 0.00 54.97 53.37 3kg7 s GLU 999 Cb -0.16 -0.86 -0.01 0.00 0.10 0.00 0.00 34.13 33.20 3kg7 s GLU 999 CO 0.07 0.15 0.71 -0.25 0.02 0.00 0.00 175.26 175.96 3kg7 n ASP 1000N 0.19 -3.85 -4.71 -0.19 9.92 -0.51 -0.61 116.55 116.78 3kg7 n ASP 1000Ca -0.13 -0.98 -0.39 0.00 -0.53 0.00 0.00 54.79 52.76 3kg7 n ASP 1000Cb 0.58 -3.48 -0.05 0.00 -0.64 0.00 0.00 41.12 37.54 3kg7 n ASP 1000CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kg7 s ILE 1001N -3.59 5.08 0.00 0.53 1.01 -0.13 -4.20 121.20 119.90 3kg7 s ILE 1001Ca 0.32 1.26 0.04 0.00 0.00 0.00 0.00 60.65 62.28 3kg7 s ILE 1001Cb -0.11 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 3kg7 s ILE 1001CO 0.86 0.25 -0.14 0.20 0.00 0.00 0.00 174.94 176.10 3kg7 s ASN 1002N 0.81 1.62 -0.20 3.58 0.01 0.16 -1.30 114.94 119.63 3kg7 s ASN 1002Ca 0.33 -0.30 -0.03 0.00 -0.71 0.00 0.00 52.86 52.14 3kg7 s ASN 1002Cb -0.17 -0.16 -0.01 0.00 0.41 0.00 0.00 41.25 41.33 3kg7 s ASN 1002CO 0.14 0.13 -0.06 -0.36 -1.51 0.00 0.00 177.10 175.45 3kg7 s PHE 1003N -0.46 2.94 0.00 2.20 0.08 -0.62 -1.70 117.98 120.41 3kg7 s PHE 1003Ca 0.04 -0.89 0.00 0.00 0.12 0.00 0.00 56.93 56.21 3kg7 s PHE 1003Cb -0.06 -2.06 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 3kg7 s PHE 1003CO -0.00 -0.49 0.00 1.04 -0.10 0.00 0.00 175.22 175.67 3kg7 n GLN 1004N 4.56 0.00 -2.20 0.44 3.00 -0.54 -4.80 117.38 117.84 3kg7 n GLN 1004Ca -0.18 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.41 3kg7 n GLN 1004Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.73 3kg7 n GLN 1004CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 3kg7 s GLN 1005N 2.94 4.24 0.56 -1.09 -1.52 -1.17 -4.95 119.66 118.67 3kg7 s GLN 1005Ca 0.00 2.05 -0.16 0.00 -1.95 0.00 0.00 55.36 55.30 3kg7 s GLN 1005Cb 0.00 -2.92 -0.06 0.00 -0.22 0.00 0.00 33.01 29.81 3kg7 s GLN 1005CO 0.00 -0.23 1.02 -1.25 -0.25 0.00 0.00 175.29 174.58 3kg7 s PRO 1006N -1.96 3.67 -0.45 2.91 0.04 -1.26 -4.17 135.00 133.77 3kg7 s PRO 1006Ca 0.52 1.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.37 3kg7 s PRO 1006Cb -0.36 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.12 3kg7 s PRO 1006CO 0.47 -0.51 0.74 -1.17 0.04 0.00 0.00 177.00 176.57 3kg7 s LEU 1007N -4.33 4.33 0.12 -3.56 0.20 -1.26 -5.02 118.68 109.16 3kg7 s LEU 1007Ca 0.60 -0.18 0.09 0.00 0.69 0.00 0.00 54.13 55.33 3kg7 s LEU 1007Cb -0.12 -2.89 -0.04 0.00 -0.43 0.00 0.00 46.19 42.71 3kg7 s LEU 1007CO 0.35 -0.88 -0.22 0.72 -0.29 0.00 0.00 176.35 176.03 3kg7 s PHE 1008N 3.15 1.95 -0.51 5.38 -0.12 -1.26 -1.56 117.98 125.01 3kg7 s PHE 1008Ca 0.28 -0.41 -0.09 0.00 -0.05 0.00 0.00 56.93 56.66 3kg7 s PHE 1008Cb -0.13 -1.04 0.13 0.00 -0.63 0.00 0.00 43.02 41.35 3kg7 s PHE 1008CO 0.22 0.28 0.38 -0.51 -0.05 0.00 0.00 175.22 175.53 3kg7 s LEU 1009N -2.11 5.71 0.05 -1.99 1.43 -0.15 -4.98 118.68 116.65 3kg7 s LEU 1009Ca 0.11 -2.07 -0.34 0.00 -1.03 0.00 0.00 54.13 50.80 3kg7 s LEU 1009Cb -0.09 -2.00 -0.19 0.00 0.03 0.00 0.00 46.19 43.93 3kg7 s LEU 1009CO 0.05 -0.65 1.51 0.00 0.23 0.00 0.00 176.35 177.50 3kg7 h ALA 1010N 8.25 -1.13 -2.27 4.21 0.00 -1.94 -3.37 119.26 123.01 3kg7 h ALA 1010Ca -0.17 -0.25 -0.48 0.00 0.00 0.00 0.00 54.91 54.01 3kg7 h ALA 1010Cb 1.06 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3kg7 h ALA 1010CO 0.83 -1.11 -0.24 -1.21 0.00 0.00 0.00 179.25 177.52 3kg7 s GLU 1011N -5.78 3.49 0.60 0.00 0.41 -1.26 -4.94 118.70 111.21 3kg7 s GLU 1011Ca -0.18 -0.38 0.35 0.00 -0.41 0.00 0.00 54.97 54.34 3kg7 s GLU 1011Cb 0.02 -2.72 1.93 0.00 -1.78 0.00 0.00 34.13 31.59 3kg7 s GLU 1011CO 0.58 0.22 2.24 0.66 -0.49 0.00 0.00 175.26 178.47 3kg7 h SER 1012N 1.01 0.00 -0.13 -0.19 4.64 -2.05 -2.22 113.55 114.60 3kg7 h SER 1012Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3kg7 h SER 1012Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3kg7 h SER 1012CO 0.62 0.03 0.00 -0.46 -0.87 0.00 0.00 176.83 176.15 3kg7 n ASN 1013N -3.46 2.76 -4.69 4.97 6.94 -1.26 -4.61 115.26 115.91 3kg7 n ASN 1013Ca -0.02 -1.83 -0.44 0.00 -0.02 0.00 0.00 54.58 52.27 3kg7 n ASN 1013Cb 0.13 -0.07 -0.04 0.00 -2.36 0.00 0.00 39.78 37.44 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 1.09 0.08 -5.12 5.53 -1.04 -0.84 -5.01 114.28 108.97 3kg7 n THR 1014Ca 0.13 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.80 3kg7 n THR 1014Cb 0.49 -1.82 -0.16 0.00 -1.82 0.00 0.00 70.33 67.02 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 1.41 2.32 -0.19 12.58 2.01 -1.26 -4.50 115.64 128.01 3kg7 s THR 1015Ca 0.78 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 3kg7 s THR 1015Cb -0.58 -1.90 -0.00 0.00 0.01 0.00 0.00 72.50 70.03 3kg7 s THR 1015CO 0.36 0.56 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.61 3kg7 s ARG 1016N 0.14 3.27 -0.12 4.92 0.52 -0.52 -1.16 118.95 126.00 3kg7 s ARG 1016Ca -0.11 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.10 3kg7 s ARG 1016Cb -0.16 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 3kg7 s ARG 1016CO 0.06 -0.09 1.33 -1.83 0.02 0.00 0.00 175.30 174.80 3kg7 s GLU 1017N 1.13 4.24 0.03 3.54 -1.05 -0.29 -0.92 118.70 125.38 3kg7 s GLU 1017Ca 0.01 1.78 0.05 0.00 -0.15 0.00 0.00 54.97 56.66 3kg7 s GLU 1017Cb -0.14 -3.77 -0.03 0.00 -0.44 0.00 0.00 34.13 29.75 3kg7 s GLU 1017CO -0.03 -0.69 -0.12 0.99 0.95 0.00 0.00 175.26 176.35 3kg7 s THR 1018N 3.37 3.21 -0.04 1.83 2.01 -0.06 -1.92 115.64 124.05 3kg7 s THR 1018Ca 0.59 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.59 3kg7 s THR 1018Cb -0.25 -2.39 0.01 0.00 0.01 0.00 0.00 72.50 69.89 3kg7 s THR 1018CO 0.19 0.34 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.29 3kg7 s GLN 1019N -1.49 1.00 0.35 4.92 -0.21 0.54 -1.97 119.66 122.80 3kg7 s GLN 1019Ca 0.16 -0.23 0.03 0.00 0.02 0.00 0.00 55.36 55.35 3kg7 s GLN 1019Cb -0.11 -0.93 0.03 0.00 1.00 0.00 0.00 33.01 33.00 3kg7 s GLN 1019CO 0.07 0.01 0.24 -0.11 -2.12 0.00 0.00 175.29 173.38 3kg7 n LEU 1020N 3.70 0.00 -3.15 2.90 0.00 -0.17 -1.27 117.00 119.02 3kg7 n LEU 1020Ca -0.22 -1.84 0.05 0.00 0.00 0.00 0.00 56.01 54.00 3kg7 n LEU 1020Cb 0.52 -0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.93 3kg7 n LEU 1020CO 0.24 -0.45 0.53 -0.22 0.00 0.00 0.00 177.39 177.50 3kg7 s LEU 1022N 0.00 -0.55 0.62 -1.96 2.96 0.13 -1.21 118.68 118.66 3kg7 s LEU 1022Ca 0.18 0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 54.25 3kg7 s LEU 1022Cb -0.01 1.44 -0.03 0.00 0.50 0.00 0.00 46.19 48.09 3kg7 s LEU 1022CO 0.11 -0.10 1.04 -1.00 -1.32 0.00 0.00 176.35 175.08 3kg7 s HIS 1023N 2.94 3.17 0.38 5.38 3.76 0.41 -1.11 115.29 130.22 3kg7 s HIS 1023Ca 0.05 1.45 -0.26 0.00 -0.15 0.00 0.00 55.06 56.15 3kg7 s HIS 1023Cb -0.09 -2.90 -0.09 0.00 1.11 0.00 0.00 32.58 30.61 3kg7 s HIS 1023CO -0.14 -1.00 1.18 0.99 -0.85 0.00 0.00 174.74 174.92 3kg7 s THR 1024N -2.76 3.14 0.32 1.30 2.01 -1.26 -4.39 115.64 113.99 3kg7 s THR 1024Ca 0.60 0.99 -0.29 0.00 0.31 0.00 0.00 61.69 63.30 3kg7 s THR 1024Cb -0.14 -3.57 -0.12 0.00 0.01 0.00 0.00 72.50 68.68 3kg7 s THR 1024CO 0.44 0.12 1.41 0.00 -0.69 0.00 0.00 174.62 175.89 3kg7 n ALA 1025N 0.23 1.67 -1.77 7.40 0.00 -1.26 -4.72 120.51 122.07 3kg7 n ALA 1025Ca 0.03 0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.83 3kg7 n ALA 1025Cb 0.46 -2.33 0.01 0.00 0.00 0.00 0.00 19.45 17.59 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 1.29 0.06 -0.16 0.00 5.68 -0.63 -4.84 116.55 117.95 3kg7 n ASP 1026Ca 0.06 -1.07 -0.02 0.00 -0.50 0.00 0.00 54.79 53.26 3kg7 n ASP 1026Cb 0.36 -0.06 0.06 0.00 -1.14 0.00 0.00 41.12 40.34 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 -0.08 -0.04 0.67 -1.12 2.35 -1.95 0.86 115.58 116.27 3kg7 h ASN 1027Ca -0.03 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3kg7 h ASN 1027Cb 0.09 0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3kg7 h ASN 1027CO 0.03 0.01 0.00 0.58 -1.65 0.00 0.00 177.43 176.39 3kg7 h VAL 1028N 0.21 0.00 0.00 2.81 2.07 -2.03 -3.46 116.25 115.85 3kg7 h VAL 1028Ca 0.25 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kg7 h VAL 1028Cb 0.34 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3kg7 h VAL 1028CO -0.34 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.86 3kg7 n GLY 1029N -0.19 0.74 3.86 2.17 0.00 0.30 -4.78 105.19 107.28 3kg7 n GLY 1029Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3kg7 n GLY 1029CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kg7 s LYS 1030N -0.44 3.94 -0.20 1.61 -2.85 -1.26 -4.33 119.74 116.21 3kg7 s LYS 1030Ca 0.00 0.54 -0.03 0.00 -1.00 0.00 0.00 55.97 55.48 3kg7 s LYS 1030Cb 0.00 -2.51 -0.01 0.00 -2.06 0.00 0.00 37.83 33.25 3kg7 s LYS 1030CO 0.00 0.21 -0.05 -0.65 0.10 0.00 0.00 175.35 174.96 3kg7 s GLN 1031N -2.91 3.41 0.33 1.78 -0.21 -1.07 -1.61 119.66 119.38 3kg7 s GLN 1031Ca 0.52 -0.62 -0.27 0.00 0.02 0.00 0.00 55.36 55.00 3kg7 s GLN 1031Cb -0.11 -2.96 -0.09 0.00 1.00 0.00 0.00 33.01 30.85 3kg7 s GLN 1031CO 0.19 -0.11 1.08 0.12 -2.12 0.00 0.00 175.29 174.45 3kg7 s PHE 1032N 1.24 3.45 -0.01 0.91 5.36 -1.26 -0.95 117.98 126.72 3kg7 s PHE 1032Ca 0.03 1.68 0.04 0.00 -0.96 0.00 0.00 56.93 57.72 3kg7 s PHE 1032Cb -0.14 -3.22 -0.01 0.00 -0.34 0.00 0.00 43.02 39.30 3kg7 s PHE 1032CO -0.02 -0.59 -0.13 0.08 -1.46 0.00 0.00 175.22 173.11 3kg7 s VAL 1033N -1.36 1.04 -0.00 3.12 1.01 -1.26 -0.44 120.40 122.51 3kg7 s VAL 1033Ca 0.50 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3kg7 s VAL 1033Cb -0.28 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3kg7 s VAL 1033CO 0.36 0.30 -0.02 -1.61 0.00 0.00 0.00 175.10 174.13 3kg7 s GLU 1034N -0.24 0.19 -0.16 2.72 2.02 -1.26 -4.27 118.70 117.71 3kg7 s GLU 1034Ca 0.04 -0.06 0.01 0.00 0.02 0.00 0.00 54.97 54.98 3kg7 s GLU 1034Cb -0.06 -0.21 0.01 0.00 0.10 0.00 0.00 34.13 33.97 3kg7 s GLU 1034CO -0.00 0.03 -0.20 0.08 0.02 0.00 0.00 175.26 175.19 3kg7 s VAL 1035N 0.08 2.22 0.13 2.63 1.01 -0.46 -4.22 120.40 121.80 3kg7 s VAL 1035Ca -0.00 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.15 3kg7 s VAL 1035Cb -0.02 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3kg7 s VAL 1035CO -0.00 0.54 -0.20 -0.36 0.00 0.00 0.00 175.10 175.07 3kg7 s PHE 1036N 0.95 1.82 0.19 5.22 0.08 -0.39 -0.52 117.98 125.33 3kg7 s PHE 1036Ca -0.03 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.57 3kg7 s PHE 1036Cb -0.15 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.30 3kg7 s PHE 1036CO -0.04 0.27 0.10 -1.54 -0.10 0.00 0.00 175.22 173.90 3kg7 s SER 1037N -2.27 0.40 0.08 1.36 1.04 -0.33 -0.34 113.70 113.64 3kg7 s SER 1037Ca 0.11 -1.33 -0.15 0.00 0.48 0.00 0.00 55.95 55.06 3kg7 s SER 1037Cb -0.08 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.38 3kg7 s SER 1037CO 0.05 -0.78 0.35 0.00 0.98 0.00 0.00 173.24 173.85 3kg7 s ARG 1038N -4.10 0.94 -0.01 4.02 1.70 -0.81 -0.70 118.95 120.00 3kg7 s ARG 1038Ca 0.34 -0.61 -0.30 0.00 -0.47 0.00 0.00 55.73 54.69 3kg7 s ARG 1038Cb 0.07 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 34.81 3kg7 s ARG 1038CO 0.09 -0.34 1.49 0.34 -1.08 0.00 0.00 175.30 175.80 3kg7 s ASP 1039N -2.44 6.77 0.15 -2.89 -1.08 -1.26 -1.14 116.67 114.78 3kg7 s ASP 1039Ca -0.01 2.18 -0.22 0.00 -0.52 0.00 0.00 52.55 53.98 3kg7 s ASP 1039Cb 0.01 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.94 3kg7 s ASP 1039CO -0.07 -0.79 1.64 1.23 0.52 0.00 0.00 175.17 177.69 3kg7 h GLY 1040N 8.86 -0.14 0.00 2.66 0.00 -1.48 0.11 103.07 113.07 3kg7 h GLY 1040Ca -0.38 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kg7 h GLY 1040CO 0.92 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 177.27 3kg7 n ALA 1041N -2.77 -0.11 -0.01 3.60 0.00 -1.26 -3.75 120.51 116.21 3kg7 n ALA 1041Ca -0.01 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.64 3kg7 n ALA 1041Cb 0.28 0.01 0.70 0.00 0.00 0.00 0.00 19.45 20.44 3kg7 n ALA 1041CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kg7 h LYS 1042N 0.00 0.00 -2.34 0.00 1.63 -1.95 -3.45 116.57 110.45 3kg7 h LYS 1042Ca 0.00 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.42 3kg7 h LYS 1042Cb 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.56 3kg7 h LYS 1042CO 0.00 0.00 -0.43 1.04 -3.45 0.00 0.00 179.45 176.61 3kg7 n GLN 1043N -4.34 -1.65 -1.07 1.90 1.13 0.36 -4.97 117.38 108.74 3kg7 n GLN 1043Ca 0.10 1.00 -0.30 0.00 -1.94 0.00 0.00 57.00 55.86 3kg7 n GLN 1043Cb 0.63 -5.53 0.14 0.00 0.11 0.00 0.00 30.24 25.59 3kg7 n GLN 1043CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3kg7 s GLU 1044N -4.46 1.24 0.49 -1.09 2.12 -1.26 -4.90 118.70 110.85 3kg7 s GLU 1044Ca 0.00 1.02 -0.22 0.00 0.36 0.00 0.00 54.97 56.13 3kg7 s GLU 1044Cb 0.00 -1.79 -0.08 0.00 0.26 0.00 0.00 34.13 32.52 3kg7 s GLU 1044CO 0.00 -2.31 1.02 0.39 -0.54 0.00 0.00 175.26 173.82 3kg7 n GLU 1045N -3.95 1.25 -1.72 4.30 -0.58 -1.26 -4.43 120.64 114.25 3kg7 n GLU 1045Ca 0.08 0.46 -0.43 0.00 -0.42 0.00 0.00 57.16 56.85 3kg7 n GLU 1045Cb 0.54 -2.14 -0.03 0.00 -0.57 0.00 0.00 31.44 29.25 3kg7 n GLU 1045CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 3kg7 n TRP 1046N -0.95 2.70 -4.71 -0.32 7.02 -1.26 -4.81 117.44 115.11 3kg7 n TRP 1046Ca 0.11 0.11 -0.33 0.00 -1.02 0.00 0.00 57.50 56.36 3kg7 n TRP 1046Cb 0.43 -2.64 -0.12 0.00 -2.42 0.00 0.00 31.31 26.56 3kg7 n TRP 1046CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3kg7 s GLN 1047N 0.82 2.62 0.09 -0.99 -0.21 0.12 -4.97 119.66 117.15 3kg7 s GLN 1047Ca 0.74 -0.63 -0.19 0.00 0.02 0.00 0.00 55.36 55.30 3kg7 s GLN 1047Cb -0.53 -2.49 -0.07 0.00 1.00 0.00 0.00 33.01 30.92 3kg7 s GLN 1047CO 0.36 0.64 0.57 -1.14 -2.12 0.00 0.00 175.29 173.60 3kg7 s GLN 1048N -0.86 4.18 -0.05 2.91 0.74 -1.26 -1.18 119.66 124.13 3kg7 s GLN 1048Ca 0.13 0.71 0.05 0.00 0.05 0.00 0.00 55.36 56.30 3kg7 s GLN 1048Cb -0.11 -3.18 -0.07 0.00 1.10 0.00 0.00 33.01 30.75 3kg7 s GLN 1048CO 0.02 0.61 0.03 0.72 -0.55 0.00 0.00 175.29 176.12 3kg7 n HIS 1049N 1.55 0.00 -3.52 1.67 8.25 0.32 -3.04 115.22 120.44 3kg7 n HIS 1049Ca -0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.25 3kg7 n HIS 1049Cb 0.51 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.17 -1.33 0.12 -1.41 0.00 -1.17 -1.47 121.76 114.33 3kg7 s ALA 1050Ca -0.03 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 3kg7 s ALA 1050Cb 0.02 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.84 3kg7 s ALA 1050CO 0.24 -0.66 0.27 -1.54 0.00 0.00 0.00 175.76 174.06 3kg7 s SER 1051N -2.57 0.02 -0.04 0.00 1.04 -0.69 -1.35 113.70 110.11 3kg7 s SER 1051Ca 0.00 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.80 3kg7 s SER 1051Cb 0.00 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.54 3kg7 s SER 1051CO -0.10 -0.81 -0.08 -0.44 0.98 0.00 0.00 173.24 172.79 3kg7 s SER 1053N -2.88 1.18 -0.22 7.02 0.01 0.22 -0.66 113.70 118.36 3kg7 s SER 1053Ca 0.08 -0.18 -0.25 0.00 1.31 0.00 0.00 55.95 56.91 3kg7 s SER 1053Cb 0.04 -0.48 -0.01 0.00 0.21 0.00 0.00 66.02 65.78 3kg7 s SER 1053CO -0.08 0.01 0.86 -0.69 0.41 0.00 0.00 173.24 173.75 3kg7 s VAL 1054N 0.60 4.83 0.55 3.43 1.01 -0.12 0.23 120.40 130.92 3kg7 s VAL 1054Ca -0.09 1.65 -0.21 0.00 0.00 0.00 0.00 61.98 63.32 3kg7 s VAL 1054Cb -0.13 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 3kg7 s VAL 1054CO 0.01 -0.06 1.22 -0.24 0.00 0.00 0.00 175.10 176.04 3kg7 n SER 1055N 5.83 2.04 0.14 3.32 2.88 0.44 -2.58 113.62 125.70 3kg7 n SER 1055Ca 0.06 0.93 0.13 0.00 -1.33 0.00 0.00 58.87 58.66 3kg7 n SER 1055Cb 0.48 -1.51 0.37 0.00 -0.75 0.00 0.00 64.21 62.80 3kg7 n SER 1055CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3kg7 h GLU 1056N 1.16 0.00 -5.39 -1.46 9.09 -1.86 -3.44 114.58 112.67 3kg7 h GLU 1056Ca -0.50 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 58.25 3kg7 h GLU 1056Cb 1.32 0.00 -0.27 0.00 -1.65 0.00 0.00 28.75 28.16 3kg7 h GLU 1056CO 0.55 0.00 -0.77 -0.80 0.05 0.00 0.00 179.01 178.04 3kg7 s ASN 1057N -4.96 3.98 0.16 3.06 0.01 -1.26 -4.98 114.94 110.94 3kg7 s ASN 1057Ca 0.09 -0.33 -0.34 0.00 -0.71 0.00 0.00 52.86 51.57 3kg7 s ASN 1057Cb 0.10 -1.55 -0.16 0.00 0.41 0.00 0.00 41.25 40.06 3kg7 s ASN 1057CO 0.59 0.18 1.28 -2.65 -1.51 0.00 0.00 177.10 174.99 3kg7 n PRO 1058N 3.44 1.36 -1.86 -0.60 -0.02 -1.26 -4.62 135.00 131.43 3kg7 n PRO 1058Ca -0.18 0.49 -0.37 0.00 -2.02 0.00 0.00 63.50 61.42 3kg7 n PRO 1058Cb 0.53 -2.07 0.05 0.00 -0.02 0.00 0.00 33.50 31.98 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 -0.02 2.93 0.23 0.52 0.04 -1.26 -4.86 135.00 132.57 3kg7 s PRO 1059Ca 0.76 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.52 3kg7 s PRO 1059Cb -0.84 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 31.54 3kg7 s PRO 1059CO 0.49 -1.30 1.52 -2.30 0.04 0.00 0.00 177.00 175.46 3kg7 n PRO 1060N -1.46 2.27 -1.42 0.56 -0.02 -1.26 -4.90 135.00 128.77 3kg7 n PRO 1060Ca 0.13 0.81 -0.37 0.00 -2.02 0.00 0.00 63.50 62.05 3kg7 n PRO 1060Cb 0.48 -2.54 0.06 0.00 -0.02 0.00 0.00 33.50 31.47 3kg7 n PRO 1060CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kg7 n PRO 1061N 2.62 0.52 -0.66 0.52 -0.02 -1.26 -4.95 135.00 131.76 3kg7 n PRO 1061Ca 0.13 0.21 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 3kg7 n PRO 1061Cb 0.32 -1.90 0.17 0.00 -0.02 0.00 0.00 33.50 32.08 3kg7 n PRO 1061CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kg7 n PRO 1062N -0.68 -0.67 0.00 0.52 -0.04 -1.26 -5.01 135.00 127.86 3kg7 n PRO 1062Ca 0.12 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 3kg7 n PRO 1062Cb 0.49 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3kg7 n PRO 1062CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3kg7 n THR 1063N -4.27 0.00 -2.54 0.52 -1.04 -1.26 -5.06 114.28 100.63 3kg7 n THR 1063Ca 0.10 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.72 3kg7 n THR 1063Cb 0.53 -0.49 -0.05 0.00 -1.82 0.00 0.00 70.33 68.49 3kg7 n THR 1063CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3kg7 s LEU 1064N -4.63 4.52 -0.23 -4.42 2.96 -1.26 -4.97 118.68 110.65 3kg7 s LEU 1064Ca 0.00 2.18 -0.06 0.00 -0.22 0.00 0.00 54.13 56.03 3kg7 s LEU 1064Cb 0.00 -3.69 0.11 0.00 0.50 0.00 0.00 46.19 43.11 3kg7 s LEU 1064CO 0.00 -0.13 0.46 -0.94 -1.32 0.00 0.00 176.35 174.42 3kg7 s SER 1065N -1.02 -0.37 0.22 3.68 1.04 -1.26 -1.52 113.70 114.47 3kg7 s SER 1065Ca 0.45 0.92 0.11 0.00 0.48 0.00 0.00 55.95 57.91 3kg7 s SER 1065Cb -0.30 1.50 -0.05 0.00 0.10 0.00 0.00 66.02 67.28 3kg7 s SER 1065CO 0.38 -0.25 -0.22 -0.69 0.98 0.00 0.00 173.24 173.44 3kg7 s VAL 1066N 2.66 2.35 -0.40 5.02 1.01 -0.49 -4.97 120.40 125.59 3kg7 s VAL 1066Ca 0.02 -2.16 -0.26 0.00 0.00 0.00 0.00 61.98 59.58 3kg7 s VAL 1066Cb -0.13 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3kg7 s VAL 1066CO -0.15 -0.24 0.96 1.51 0.00 0.00 0.00 175.10 177.18 3kg7 s ASP 1067N -2.98 6.65 0.08 3.32 -4.77 -1.26 -4.20 116.67 113.51 3kg7 s ASP 1067Ca 0.24 0.50 -0.22 0.00 -3.30 0.00 0.00 52.55 49.77 3kg7 s ASP 1067Cb -0.07 -2.47 -0.12 0.00 -1.09 0.00 0.00 42.92 39.16 3kg7 s ASP 1067CO 0.11 -0.94 1.65 0.40 0.70 0.00 0.00 175.17 177.09 3kg7 h ILE 1068N 5.91 1.11 -0.91 2.11 2.04 -1.94 -2.81 117.51 123.04 3kg7 h ILE 1068Ca -0.23 -0.32 0.20 0.00 1.00 0.00 0.00 64.86 65.52 3kg7 h ILE 1068Cb 1.07 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 38.24 3kg7 h ILE 1068CO 1.01 0.10 0.60 -0.65 0.00 0.00 0.00 178.15 179.20 3kg7 h PRO 1069N 0.03 0.40 -0.08 2.37 0.11 -1.96 0.34 132.00 133.22 3kg7 h PRO 1069Ca 0.03 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 3kg7 h PRO 1069Cb 0.11 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3kg7 h PRO 1069CO -0.00 0.27 -0.42 0.00 -0.21 0.00 0.00 178.00 177.63 3kg7 h ALA 1070N 1.61 1.15 0.00 -0.75 0.00 -1.93 -3.02 119.26 116.32 3kg7 h ALA 1070Ca 0.47 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3kg7 h ALA 1070Cb 1.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3kg7 h ALA 1070CO -0.18 0.58 -0.76 -0.07 0.00 0.00 0.00 179.25 178.82 3kg7 h LEU 1071N 0.15 0.00 -0.38 0.00 3.38 -0.81 -3.10 115.31 114.54 3kg7 h LEU 1071Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kg7 h LEU 1071Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3kg7 h LEU 1071CO 0.06 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.35 3kg7 h GLU 1073N 0.00 0.09 0.00 0.00 4.57 -1.56 -3.37 114.58 114.31 3kg7 h GLU 1073Ca 0.00 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 3kg7 h GLU 1073Cb 0.57 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 3kg7 h GLU 1073CO 0.00 1.07 -0.02 1.96 -1.18 0.00 0.00 179.01 180.84 3kg7 h GLN 1074N -0.75 0.00 -6.35 1.92 1.08 -1.46 -3.43 115.11 106.12 3kg7 h GLN 1074Ca -0.25 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.29 3kg7 h GLN 1074Cb 1.39 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.68 3kg7 h GLN 1074CO -0.06 0.02 -0.69 -0.51 -0.95 0.00 0.00 178.83 176.64 3kg7 s LEU 1075N -7.12 3.29 -0.26 1.46 1.02 -0.98 -4.90 118.68 111.20 3kg7 s LEU 1075Ca -0.04 -0.19 -0.24 0.00 0.02 0.00 0.00 54.13 53.68 3kg7 s LEU 1075Cb 0.14 -1.98 -0.01 0.00 0.02 0.00 0.00 46.19 44.36 3kg7 s LEU 1075CO 0.51 0.22 0.79 -0.13 0.02 0.00 0.00 176.35 177.76 3kg7 s ARG 1076N -1.92 4.13 0.63 1.70 1.81 -0.54 -4.81 118.95 119.95 3kg7 s ARG 1076Ca 0.21 0.82 -0.17 0.00 -1.72 0.00 0.00 55.73 54.87 3kg7 s ARG 1076Cb -0.11 -3.66 -0.04 0.00 -0.45 0.00 0.00 34.95 30.68 3kg7 s ARG 1076CO 0.13 -0.53 0.82 -2.30 -0.68 0.00 0.00 175.30 172.75 3kg7 n PRO 1077N 5.99 0.67 -5.03 3.54 -0.02 -1.26 -1.92 135.00 136.97 3kg7 n PRO 1077Ca 0.04 0.27 -0.28 0.00 -2.02 0.00 0.00 63.50 61.51 3kg7 n PRO 1077Cb 0.48 -2.05 -0.16 0.00 -0.02 0.00 0.00 33.50 31.75 3kg7 n PRO 1077CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kg7 s LEU 1078N -1.48 2.02 -0.07 2.45 2.96 -0.11 -4.85 118.68 119.59 3kg7 s LEU 1078Ca 0.73 -0.39 -0.30 0.00 -0.22 0.00 0.00 54.13 53.95 3kg7 s LEU 1078Cb -0.40 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 3kg7 s LEU 1078CO 0.50 0.23 1.38 -1.81 -1.32 0.00 0.00 176.35 175.33 3kg7 s ASP 1079N -0.32 6.87 0.51 3.68 1.01 -1.26 -4.51 116.67 122.65 3kg7 s ASP 1079Ca 0.04 1.96 0.17 0.00 0.71 0.00 0.00 52.55 55.42 3kg7 s ASP 1079Cb -0.10 -2.55 1.26 0.00 1.01 0.00 0.00 42.92 42.55 3kg7 s ASP 1079CO 0.01 -0.75 2.12 0.71 0.21 0.00 0.00 175.17 177.47 3kg7 h THR 1080N 5.23 0.97 -0.90 -1.27 1.35 -1.97 -0.28 112.91 116.04 3kg7 h THR 1080Ca -0.34 -0.01 0.10 0.00 -0.55 0.00 0.00 66.41 65.61 3kg7 h THR 1080Cb 1.15 0.93 -0.08 0.00 -1.73 0.00 0.00 68.15 68.43 3kg7 h THR 1080CO 0.93 0.01 0.54 0.44 -0.25 0.00 0.00 175.52 177.19 3kg7 h ASP 1081N 0.04 0.79 -0.11 5.36 3.32 -1.99 -0.36 116.42 123.47 3kg7 h ASP 1081Ca 0.05 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3kg7 h ASP 1081Cb 0.14 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3kg7 h ASP 1081CO -0.00 0.44 -0.07 0.74 -1.72 0.00 0.00 179.24 178.63 3kg7 h THR 1082N 0.89 1.19 -0.07 0.35 2.02 -1.44 -1.80 112.91 114.05 3kg7 h THR 1082Ca 0.44 -0.79 -0.14 0.00 0.77 0.00 0.00 66.41 66.69 3kg7 h THR 1082Cb 0.39 1.08 0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3kg7 h THR 1082CO -0.25 0.26 -0.50 -0.07 0.37 0.00 0.00 175.52 175.33 3kg7 h LEU 1083N 0.37 0.56 -0.94 2.58 3.38 -1.35 -3.06 115.31 116.86 3kg7 h LEU 1083Ca 0.08 -0.68 0.14 0.00 0.09 0.00 0.00 57.88 57.51 3kg7 h LEU 1083Cb 0.36 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 3kg7 h LEU 1083CO 0.02 1.15 0.56 0.74 0.09 0.00 0.00 178.44 180.99 3kg7 h THR 1084N 0.01 0.82 -0.25 0.22 2.02 -0.74 -1.03 112.91 113.97 3kg7 h THR 1084Ca -0.04 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 3kg7 h THR 1084Cb 1.17 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3kg7 h THR 1084CO 0.10 0.15 -0.30 -0.08 0.37 0.00 0.00 175.52 175.76 3kg7 h GLU 1085N 0.82 0.51 -0.29 6.66 4.81 -1.37 -0.58 114.58 125.13 3kg7 h GLU 1085Ca 0.49 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3kg7 h GLU 1085Cb 0.60 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3kg7 h GLU 1085CO -0.31 0.75 0.02 0.82 -0.73 0.00 0.00 179.01 179.56 3kg7 h ILE 1086N 0.44 1.25 -0.43 2.32 1.08 -1.12 -1.85 117.51 119.19 3kg7 h ILE 1086Ca 0.06 -0.89 -0.01 0.00 -0.39 0.00 0.00 64.86 63.63 3kg7 h ILE 1086Cb 0.75 1.26 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 3kg7 h ILE 1086CO 0.06 0.29 0.23 1.88 -0.69 0.00 0.00 178.15 179.91 3kg7 h TYR 1087N 0.31 0.61 -0.34 1.37 0.05 -1.11 -2.32 116.97 115.54 3kg7 h TYR 1087Ca 0.09 -0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.89 3kg7 h TYR 1087Cb 0.40 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 3kg7 h TYR 1087CO 0.03 0.47 0.23 0.00 -1.05 0.00 0.00 178.16 177.84 3kg7 h ALA 1088N 1.08 2.00 0.00 3.88 0.00 -0.74 0.15 119.26 125.63 3kg7 h ALA 1088Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kg7 h ALA 1088Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kg7 h ALA 1088CO -0.02 -0.06 0.00 0.66 0.00 0.00 0.00 179.25 179.82 3kg7 h SER 1089N 0.25 0.00 -0.42 0.00 4.64 -0.77 -2.17 113.55 115.08 3kg7 h SER 1089Ca 0.15 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.31 3kg7 h SER 1089Cb 0.27 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.27 3kg7 h SER 1089CO -0.03 0.00 0.05 2.30 -0.87 0.00 0.00 176.83 178.28 3kg7 n ILE 1090N -2.56 2.57 -3.04 0.95 -5.35 -0.26 -3.74 119.36 107.92 3kg7 n ILE 1090Ca 0.03 -2.28 -0.22 0.00 -0.27 0.00 0.00 62.75 60.01 3kg7 n ILE 1090Cb 0.37 -0.32 0.04 0.00 -1.74 0.00 0.00 39.64 37.99 3kg7 n ILE 1090CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3kg7 n SER 1091N -0.84 -6.07 -4.34 7.28 7.64 -0.82 -3.60 113.62 112.88 3kg7 n SER 1091Ca 0.33 -0.30 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 3kg7 n SER 1091Cb 1.08 -4.87 -0.15 0.00 -1.01 0.00 0.00 64.21 59.27 3kg7 n SER 1091CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3kg7 s LEU 1092N -6.56 2.53 -0.04 -3.43 2.96 0.37 -1.25 118.68 113.26 3kg7 s LEU 1092Ca 0.32 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3kg7 s LEU 1092Cb -0.14 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 45.04 3kg7 s LEU 1092CO 0.39 0.19 0.00 -0.69 -1.32 0.00 0.00 176.35 174.92 3kg7 s VAL 1093N 0.19 0.22 -0.35 1.68 1.01 -0.54 -2.40 120.40 120.21 3kg7 s VAL 1093Ca -0.10 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 3kg7 s VAL 1093Cb -0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 3kg7 s VAL 1093CO 0.06 0.17 0.31 -0.31 0.00 0.00 0.00 175.10 175.33 3kg7 s TYR 1094N 1.27 3.22 0.82 5.22 1.51 -1.26 -1.95 117.35 126.18 3kg7 s TYR 1094Ca -0.06 -0.15 -0.11 0.00 -1.01 0.00 0.00 57.07 55.73 3kg7 s TYR 1094Cb -0.13 -2.60 0.11 0.00 -0.11 0.00 0.00 41.96 39.23 3kg7 s TYR 1094CO -0.02 -0.43 1.17 0.20 -1.11 0.00 0.00 175.55 175.36 3kg7 s GLY 1095N 1.73 1.68 0.00 0.71 0.00 0.23 -4.75 107.32 106.92 3kg7 s GLY 1095Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.88 3kg7 s GLY 1095CO 0.11 -0.37 0.00 -1.05 0.00 0.00 0.00 173.10 171.79 3kg7 n PRO 1096N -3.33 0.00 0.00 2.90 -0.02 -1.26 -2.16 135.00 131.13 3kg7 n PRO 1096Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3kg7 n PRO 1096Cb 0.60 -0.75 0.00 0.00 -0.02 0.00 0.00 33.50 33.33 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 0.69 0.00 -4.58 2.45 4.32 -1.26 -4.56 117.00 114.06 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 1.77 -1.10 -1.22 0.00 0.00 177.39 176.84 3kg7 s GLN 1099N 0.00 3.53 0.00 3.23 -0.21 -0.92 -4.62 119.66 120.67 3kg7 s GLN 1099Ca 0.00 -1.61 0.13 0.00 0.02 0.00 0.00 55.36 53.90 3kg7 s GLN 1099Cb 0.00 -5.43 -0.00 0.00 1.00 0.00 0.00 33.01 28.58 3kg7 s GLN 1099CO 0.00 -2.69 0.76 0.00 -2.12 0.00 0.00 175.29 171.24 3kg7 n ALA 1100N 10.06 3.02 -2.80 6.09 0.00 -1.26 -4.38 120.51 131.24 3kg7 n ALA 1100Ca 0.45 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 3kg7 n ALA 1100Cb 0.47 -0.47 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.66 4.22 -0.04 0.00 1.01 -1.26 -1.24 120.40 121.43 3kg7 s VAL 1101Ca 0.11 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 3kg7 s VAL 1101Cb 0.11 -4.73 -0.19 0.00 0.00 0.00 0.00 36.38 31.57 3kg7 s VAL 1101CO 0.34 -1.54 1.11 -0.09 0.00 0.00 0.00 175.10 174.92 3kg7 h ARG 1102N 9.64 -0.11 -3.41 2.72 9.65 -1.34 -3.48 114.38 128.06 3kg7 h ARG 1102Ca -0.27 0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 58.47 3kg7 h ARG 1102Cb 1.07 0.02 -0.21 0.00 -1.39 0.00 0.00 29.97 29.46 3kg7 h ARG 1102CO 1.20 0.38 -0.45 -0.65 2.80 0.00 0.00 179.97 183.25 3kg7 s GLN 1103N -3.89 0.50 -0.03 0.20 -0.21 -1.13 -5.00 119.66 110.10 3kg7 s GLN 1103Ca -0.15 -0.32 0.02 0.00 0.02 0.00 0.00 55.36 54.93 3kg7 s GLN 1103Cb 0.01 0.21 0.01 0.00 1.00 0.00 0.00 33.01 34.24 3kg7 s GLN 1103CO 0.60 -0.12 -0.07 0.00 -2.12 0.00 0.00 175.29 173.59 3kg7 s ALA 1104N -1.27 0.71 0.14 6.09 0.00 -1.26 -0.32 121.76 125.85 3kg7 s ALA 1104Ca -0.13 -0.20 0.10 0.00 0.00 0.00 0.00 51.96 51.73 3kg7 s ALA 1104Cb -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3kg7 s ALA 1104CO 0.02 0.08 -0.24 -1.58 0.00 0.00 0.00 175.76 174.03 3kg7 s TRP 1105N 0.40 2.15 -0.05 0.00 0.51 0.62 -0.93 118.94 121.64 3kg7 s TRP 1105Ca -0.06 -0.39 -0.04 0.00 -2.12 0.00 0.00 56.10 53.49 3kg7 s TRP 1105Cb -0.10 -1.14 0.02 0.00 -0.81 0.00 0.00 33.47 31.44 3kg7 s TRP 1105CO 0.00 0.34 0.13 -1.50 -0.51 0.00 0.00 176.95 175.42 3kg7 s ILE 1106N -1.27 -0.01 0.10 2.03 2.07 -0.81 -1.60 121.20 121.70 3kg7 s ILE 1106Ca 0.14 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.42 3kg7 s ILE 1106Cb -0.09 -0.20 -0.00 0.00 0.13 0.00 0.00 42.46 42.30 3kg7 s ILE 1106CO 0.06 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 3kg7 n GLY 1107N 3.27 4.07 0.14 1.50 0.00 0.32 -1.47 105.19 113.02 3kg7 n GLY 1107Ca -0.15 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.53 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 0.28 0.00 1.61 4.39 -1.94 -3.38 114.58 115.54 3kg7 h GLU 1108Ca -0.08 -0.31 -0.09 0.00 0.34 0.00 0.00 59.36 59.22 3kg7 h GLU 1108Cb 0.24 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3kg7 h GLU 1108CO 0.13 1.02 -1.50 -1.91 -1.16 0.00 0.00 179.01 175.59 3kg7 n GLU 1109N -3.69 1.81 -4.44 2.33 4.07 -1.26 -4.89 120.64 114.57 3kg7 n GLU 1109Ca -0.05 -0.03 -0.22 0.00 -0.06 0.00 0.00 57.16 56.80 3kg7 n GLU 1109Cb 0.82 -1.21 -0.10 0.00 -0.06 0.00 0.00 31.44 30.89 3kg7 n GLU 1109CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3kg7 s THR 1110N -2.34 2.05 0.03 6.31 -4.23 -1.26 -3.54 115.64 112.65 3kg7 s THR 1110Ca -0.04 -2.25 -0.02 0.00 -1.18 0.00 0.00 61.69 58.20 3kg7 s THR 1110Cb 0.04 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 3kg7 s THR 1110CO 0.34 -0.39 0.02 -0.94 -0.54 0.00 0.00 174.62 173.11 3kg7 s SER 1111N -3.46 0.24 -0.04 3.99 1.04 -0.49 -0.52 113.70 114.45 3kg7 s SER 1111Ca 0.28 -0.56 -0.02 0.00 0.48 0.00 0.00 55.95 56.14 3kg7 s SER 1111Cb -0.00 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.30 3kg7 s SER 1111CO 0.12 -0.41 0.10 -0.22 0.98 0.00 0.00 173.24 173.81 3kg7 s LEU 1112N -1.86 1.08 -0.12 2.42 2.96 -0.63 -1.37 118.68 121.16 3kg7 s LEU 1112Ca -0.09 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 3kg7 s LEU 1112Cb -0.05 0.22 0.01 0.00 0.50 0.00 0.00 46.19 46.87 3kg7 s LEU 1112CO -0.03 -0.11 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.91 3kg7 s LEU 1113N 0.84 2.07 -0.21 -0.68 1.43 0.21 -0.27 118.68 122.07 3kg7 s LEU 1113Ca -0.07 -0.57 -0.21 0.00 -1.03 0.00 0.00 54.13 52.25 3kg7 s LEU 1113Cb -0.09 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 3kg7 s LEU 1113CO -0.04 0.10 0.64 -0.70 0.23 0.00 0.00 176.35 176.59 3kg7 s GLU 1114N 0.67 4.19 -0.06 1.70 2.12 0.57 -0.66 118.70 127.23 3kg7 s GLU 1114Ca -0.11 0.62 0.05 0.00 0.36 0.00 0.00 54.97 55.90 3kg7 s GLU 1114Cb -0.16 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 3kg7 s GLU 1114CO 0.02 -0.29 -0.23 0.42 -0.54 0.00 0.00 175.26 174.64 3kg7 s ILE 1115N 2.07 2.27 0.22 -3.70 1.01 0.34 -0.85 121.20 122.56 3kg7 s ILE 1115Ca 0.29 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3kg7 s ILE 1115Cb -0.16 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 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 -0.18 1.29 -0.14 2.79 -1.05 -0.38 -1.60 118.70 119.43 3kg7 s GLU 1116Ca -0.03 -1.68 -0.29 0.00 -0.15 0.00 0.00 54.97 52.82 3kg7 s GLU 1116Cb -0.14 -0.13 -0.02 0.00 -0.44 0.00 0.00 34.13 33.40 3kg7 s GLU 1116CO 0.04 -0.28 1.33 0.08 0.95 0.00 0.00 175.26 177.37 3kg7 s VAL 1117N -3.83 4.16 0.25 1.83 1.01 -1.22 -4.54 120.40 118.05 3kg7 s VAL 1117Ca 0.35 1.40 -0.31 0.00 0.00 0.00 0.00 61.98 63.42 3kg7 s VAL 1117Cb 0.07 -3.90 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 3kg7 s VAL 1117CO 0.11 -0.12 1.59 -2.65 0.00 0.00 0.00 175.10 174.03 3kg7 n PRO 1118N 6.65 2.56 -0.17 2.72 -0.02 -1.26 -4.83 135.00 140.65 3kg7 n PRO 1118Ca 0.14 0.91 0.11 0.00 -2.02 0.00 0.00 63.50 62.65 3kg7 n PRO 1118Cb 0.44 -2.69 0.44 0.00 -0.02 0.00 0.00 33.50 31.67 3kg7 n PRO 1118CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kg7 h LYS 1119N 5.26 0.54 0.00 -0.52 1.57 -1.87 0.67 116.57 122.22 3kg7 h LYS 1119Ca -0.46 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 3kg7 h LYS 1119Cb 1.23 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3kg7 h LYS 1119CO 0.83 0.36 -0.38 0.00 -0.57 0.00 0.00 179.45 179.70 3kg7 h ALA 1120N 1.64 1.32 0.01 3.86 0.00 -1.90 -3.20 119.26 120.99 3kg7 h ALA 1120Ca 0.35 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 3kg7 h ALA 1120Cb 0.58 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3kg7 h ALA 1120CO -0.12 0.47 -1.42 1.25 0.00 0.00 0.00 179.25 179.43 3kg7 h LEU 1121N 0.00 0.03 -0.64 0.00 5.85 -1.19 -3.41 115.31 115.95 3kg7 h LEU 1121Ca -0.00 -0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.80 3kg7 h LEU 1121Cb 0.69 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.59 3kg7 h LEU 1121CO 0.05 1.04 -0.16 0.00 -0.34 0.00 0.00 178.44 179.03 3kg7 n ALA 1122N -2.49 0.16 0.28 1.25 0.00 -0.64 -0.39 120.51 118.69 3kg7 n ALA 1122Ca -0.10 0.70 0.14 0.00 0.00 0.00 0.00 53.44 54.18 3kg7 n ALA 1122Cb 1.01 -0.42 0.69 0.00 0.00 0.00 0.00 19.45 20.72 3kg7 n ALA 1122CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kg7 h PHE 1123N 0.00 0.00 0.00 0.00 -0.00 -1.81 -2.69 116.94 112.43 3kg7 h PHE 1123Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.28 3kg7 h PHE 1123Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.42 3kg7 h PHE 1123CO -0.49 0.00 -0.66 1.04 -0.00 0.00 0.00 178.31 178.21 3kg7 n GLN 1124N -2.53 0.07 -2.21 6.09 6.02 0.48 -4.92 117.38 120.38 3kg7 n GLN 1124Ca -0.00 0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 3kg7 n GLN 1124Cb 0.14 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 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 -3.25 4.31 -0.28 1.08 1.43 -1.02 -4.92 118.68 116.04 3kg7 s LEU 1125Ca 0.09 2.50 0.21 0.00 -1.03 0.00 0.00 54.13 55.90 3kg7 s LEU 1125Cb 0.16 -3.84 0.49 0.00 0.03 0.00 0.00 46.19 43.04 3kg7 s LEU 1125CO 0.74 -0.61 1.13 0.00 0.23 0.00 0.00 176.35 177.85 3kg7 n ALA 1126N 0.44 2.71 -0.99 4.21 0.00 -1.26 -5.00 120.51 120.63 3kg7 n ALA 1126Ca 0.02 -2.61 0.00 0.00 0.00 0.00 0.00 53.44 50.85 3kg7 n ALA 1126Cb 0.44 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.61 0.72 3.77 0.00 0.00 -1.26 -4.98 105.19 102.83 3kg7 n GLY 1127Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3kg7 n GLY 1127CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kg7 s GLU 1128N -0.07 4.07 0.29 1.61 8.01 -1.26 -4.93 118.70 126.43 3kg7 s GLU 1128Ca 0.00 2.13 0.04 0.00 0.01 0.00 0.00 54.97 57.15 3kg7 s GLU 1128Cb 0.00 -2.82 0.68 0.00 -4.31 0.00 0.00 34.13 27.67 3kg7 s GLU 1128CO 0.00 -0.40 1.78 -1.00 0.01 0.00 0.00 175.26 175.65 3kg7 h PRO 1129N 2.84 0.74 -2.61 0.39 0.13 -1.91 -3.42 132.00 128.16 3kg7 h PRO 1129Ca -0.49 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.48 3kg7 h PRO 1129Cb 1.24 -0.17 -0.27 0.00 0.13 0.00 0.00 31.00 31.93 3kg7 h PRO 1129CO 0.63 0.49 -0.32 -1.50 -0.23 0.00 0.00 178.00 177.08 3kg7 s ILE 1130N -5.89 -0.18 0.21 -3.56 2.07 -1.26 -1.70 121.20 110.88 3kg7 s ILE 1130Ca -0.11 0.11 -0.28 0.00 -1.41 0.00 0.00 60.65 58.96 3kg7 s ILE 1130Cb 0.24 -0.62 -0.09 0.00 0.13 0.00 0.00 42.46 42.12 3kg7 s ILE 1130CO 0.80 0.05 0.87 -2.28 -1.91 0.00 0.00 174.94 172.46 3kg7 s HIS 1131N 1.72 3.95 0.25 3.50 5.65 -1.26 -4.71 115.29 124.39 3kg7 s HIS 1131Ca -0.07 1.80 0.06 0.00 0.25 0.00 0.00 55.06 57.10 3kg7 s HIS 1131Cb -0.09 -2.89 0.74 0.00 -1.18 0.00 0.00 32.58 29.16 3kg7 s HIS 1131CO -0.13 0.48 1.20 -2.30 -0.65 0.00 0.00 174.74 173.35 3kg7 n PRO 1132N 1.54 -0.06 -0.09 2.88 -0.02 -1.26 -0.12 135.00 137.87 3kg7 n PRO 1132Ca -0.04 1.11 -0.09 0.00 -2.02 0.00 0.00 63.50 62.47 3kg7 n PRO 1132Cb 0.48 -1.85 -0.01 0.00 -0.02 0.00 0.00 33.50 32.10 3kg7 n PRO 1132CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kg7 h VAL 1133N 0.00 1.09 -0.46 -1.45 2.07 -1.97 0.10 116.25 115.64 3kg7 h VAL 1133Ca 0.53 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.73 3kg7 h VAL 1133Cb 1.22 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3kg7 h VAL 1133CO -0.67 0.09 -0.24 -0.07 0.02 0.00 0.00 177.57 176.70 3kg7 h LEU 1134N 0.42 0.97 -0.71 2.57 3.38 -0.90 -0.84 115.31 120.21 3kg7 h LEU 1134Ca 0.12 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 3kg7 h LEU 1134Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3kg7 h LEU 1134CO -0.02 1.16 -0.37 -0.29 0.09 0.00 0.00 178.44 179.00 3kg7 h ILE 1135N 0.81 1.29 -0.87 1.22 2.10 -1.29 -2.99 117.51 117.79 3kg7 h ILE 1135Ca 0.10 -1.51 -0.02 0.00 1.08 0.00 0.00 64.86 64.50 3kg7 h ILE 1135Cb 0.80 1.50 -0.04 0.00 -1.09 0.00 0.00 36.82 37.99 3kg7 h ILE 1135CO 0.07 0.48 0.45 -0.78 -1.08 0.00 0.00 178.15 177.29 3kg7 h ASP 1136N 0.48 1.11 0.20 2.19 3.58 -0.57 -2.91 116.42 120.50 3kg7 h ASP 1136Ca 0.05 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 3kg7 h ASP 1136Cb 0.86 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 3kg7 h ASP 1136CO 0.07 0.91 -0.14 0.00 -2.88 0.00 0.00 179.24 177.20 3kg7 h ALA 1137N 1.24 1.59 0.00 -0.78 0.00 -1.02 -1.92 119.26 118.37 3kg7 h ALA 1137Ca 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kg7 h ALA 1137Cb 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kg7 h ALA 1137CO -0.04 0.18 -0.06 0.00 0.00 0.00 0.00 179.25 179.32 3kg7 n THR 1139N -3.55 0.39 1.27 0.00 -2.24 -0.72 -4.49 114.28 104.95 3kg7 n THR 1139Ca -0.02 -0.61 0.13 0.00 -2.27 0.00 0.00 64.05 61.28 3kg7 n THR 1139Cb 0.17 0.80 0.43 0.00 -2.10 0.00 0.00 70.33 69.64 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 1.12 0.76 -3.80 -0.78 1.74 -1.14 -4.83 116.66 109.73 3kg7 n ARG 1140Ca 0.18 -0.40 -0.13 0.00 -0.77 0.00 0.00 57.85 56.73 3kg7 n ARG 1140Cb 0.52 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.33 3kg7 n ARG 1140CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kg7 s LEU 1141N -2.52 1.29 0.08 0.55 2.96 -1.26 -5.08 118.68 114.70 3kg7 s LEU 1141Ca 0.25 0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.40 3kg7 s LEU 1141Cb 0.19 0.22 -0.03 0.00 0.50 0.00 0.00 46.19 47.07 3kg7 s LEU 1141CO 0.52 -0.08 -0.19 0.42 -1.32 0.00 0.00 176.35 175.69 3kg7 s THR 1142N 0.59 1.57 0.64 3.68 -4.23 -1.26 -4.86 115.64 111.77 3kg7 s THR 1142Ca -0.05 -1.41 0.19 0.00 -1.18 0.00 0.00 61.69 59.25 3kg7 s THR 1142Cb -0.06 -1.42 0.22 0.00 1.34 0.00 0.00 72.50 72.58 3kg7 s THR 1142CO -0.02 -0.03 1.49 -0.65 -0.54 0.00 0.00 174.62 174.86 3kg7 h PRO 1143N 4.31 0.00 -0.74 3.99 0.11 -1.85 -1.26 132.00 136.56 3kg7 h PRO 1143Ca -0.44 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.17 3kg7 h PRO 1143Cb 1.18 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.86 3kg7 h PRO 1143CO 0.41 0.00 -0.87 -0.40 -0.21 0.00 0.00 178.00 176.93 3kg7 n ASP 1144N -2.94 4.35 0.18 -2.05 5.75 -1.26 -4.81 116.55 115.77 3kg7 n ASP 1144Ca 0.05 -3.46 0.03 0.00 -0.01 0.00 0.00 54.79 51.39 3kg7 n ASP 1144Cb 0.84 -0.37 0.33 0.00 -1.03 0.00 0.00 41.12 40.89 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 2.28 0.00 0.00 -2.12 5.85 -1.63 -3.12 115.31 116.57 3kg7 h LEU 1145Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3kg7 h LEU 1145Cb 1.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3kg7 h LEU 1145CO 0.67 0.42 0.00 0.49 -0.34 0.00 0.00 178.44 179.68 3kg7 n PHE 1146N -3.90 0.00 0.66 1.25 3.72 -1.26 -0.88 117.46 117.05 3kg7 n PHE 1146Ca -0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.45 3kg7 n PHE 1146Cb 0.46 -0.22 -0.05 0.00 -0.94 0.00 0.00 39.48 38.74 3kg7 n PHE 1146CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3kg7 n ASP 1147N -1.22 1.03 0.19 4.37 10.43 -1.18 -4.54 116.55 125.63 3kg7 n ASP 1147Ca 0.05 -1.02 0.03 0.00 2.57 0.00 0.00 54.79 56.41 3kg7 n ASP 1147Cb 0.06 0.77 0.36 0.00 1.84 0.00 0.00 41.12 44.15 3kg7 n ASP 1147CO 0.00 0.00 0.00 -0.26 -1.07 0.00 0.00 177.20 175.87 3kg7 h PHE 1148N 0.70 0.00 -4.16 1.24 0.04 -1.16 -3.46 116.94 110.15 3kg7 h PHE 1148Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 3kg7 h PHE 1148Cb 0.40 0.00 0.14 0.00 2.20 0.00 0.00 35.95 38.69 3kg7 h PHE 1148CO 0.00 0.38 0.42 -1.54 -0.60 0.00 0.00 178.31 176.97 3kg7 s SER 1149N -6.91 4.56 0.07 2.17 1.04 -1.26 -5.02 113.70 108.35 3kg7 s SER 1149Ca -0.03 2.34 0.06 0.00 0.48 0.00 0.00 55.95 58.80 3kg7 s SER 1149Cb 0.14 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 3kg7 s SER 1149CO 0.72 -2.02 -0.16 -0.94 0.98 0.00 0.00 173.24 171.83 3kg7 s SER 1150N -1.95 1.90 0.11 7.02 1.04 -1.26 -5.03 113.70 115.53 3kg7 s SER 1150Ca 0.75 -0.60 0.23 0.00 0.48 0.00 0.00 55.95 56.80 3kg7 s SER 1150Cb -0.29 -0.09 0.90 0.00 0.10 0.00 0.00 66.02 66.65 3kg7 s SER 1150CO 0.42 -0.02 1.71 0.47 0.98 0.00 0.00 173.24 176.79 3kg7 n ASP 1151N 1.36 0.34 -0.34 7.02 9.92 -1.26 -2.66 116.55 130.92 3kg7 n ASP 1151Ca -0.20 0.56 0.12 0.00 -0.53 0.00 0.00 54.79 54.74 3kg7 n ASP 1151Cb 0.54 -0.64 0.22 0.00 -0.64 0.00 0.00 41.12 40.60 3kg7 n ASP 1151CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3kg7 n SER 1152N -1.84 1.42 -1.23 -2.24 7.64 -1.26 -4.96 113.62 111.14 3kg7 n SER 1152Ca 0.04 -1.14 -0.15 0.00 1.01 0.00 0.00 58.87 58.64 3kg7 n SER 1152Cb 0.28 0.29 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 3kg7 n SER 1152CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kg7 n GLY 1153N 1.38 1.14 3.73 0.23 0.00 -1.09 -4.97 105.19 105.61 3kg7 n GLY 1153Ca 0.11 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.58 3.91 0.43 1.61 1.01 -1.26 -3.71 120.40 119.81 3kg7 s VAL 1154Ca 0.00 1.59 -0.21 0.00 0.00 0.00 0.00 61.98 63.35 3kg7 s VAL 1154Cb 0.00 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 3kg7 s VAL 1154CO 0.00 0.24 0.97 0.12 0.00 0.00 0.00 175.10 176.44 3kg7 s PHE 1155N 0.02 3.27 -0.55 5.22 5.36 -1.24 -4.68 117.98 125.39 3kg7 s PHE 1155Ca 0.51 1.62 -0.12 0.00 -0.96 0.00 0.00 56.93 57.98 3kg7 s PHE 1155Cb -0.29 -2.92 0.14 0.00 -0.34 0.00 0.00 43.02 39.60 3kg7 s PHE 1155CO 0.34 -0.27 0.46 -1.58 -1.46 0.00 0.00 175.22 172.71 3kg7 s TRP 1156N -2.05 3.38 -0.07 10.12 0.52 -1.26 -0.76 118.94 128.82 3kg7 s TRP 1156Ca 0.62 -1.66 -0.18 0.00 0.02 0.00 0.00 56.10 54.89 3kg7 s TRP 1156Cb -0.12 -3.66 -0.05 0.00 -1.15 0.00 0.00 33.47 28.49 3kg7 s TRP 1156CO 0.16 -1.00 0.50 0.00 0.02 0.00 0.00 176.95 176.63 3kg7 s ALA 1157N 1.28 3.52 0.08 0.98 0.00 -0.31 -4.73 121.76 122.58 3kg7 s ALA 1157Ca 0.06 -0.14 -0.37 0.00 0.00 0.00 0.00 51.96 51.52 3kg7 s ALA 1157Cb -0.26 -2.63 -0.17 0.00 0.00 0.00 0.00 23.12 20.07 3kg7 s ALA 1157CO -0.00 0.13 1.34 -2.30 0.00 0.00 0.00 175.76 174.93 3kg7 n PRO 1158N 3.10 1.14 -0.01 0.00 -0.02 -1.26 -0.18 135.00 137.76 3kg7 n PRO 1158Ca -0.08 0.41 -0.01 0.00 -2.02 0.00 0.00 63.50 61.79 3kg7 n PRO 1158Cb 0.52 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.54 0.00 -3.55 6.00 -0.00 0.92 -4.75 117.44 118.60 3kg7 n TRP 1159Ca 0.18 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.55 3kg7 n TRP 1159Cb 0.19 -0.06 -0.05 0.00 -0.00 0.00 0.00 31.31 31.39 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 -2.03 1.08 -0.05 5.87 1.70 -1.18 -1.59 118.95 122.75 3kg7 s ARG 1160Ca -0.02 -0.25 0.01 0.00 -0.47 0.00 0.00 55.73 55.00 3kg7 s ARG 1160Cb 0.01 0.49 0.02 0.00 -0.57 0.00 0.00 34.95 34.90 3kg7 s ARG 1160CO 0.03 -0.40 -0.07 0.08 -1.08 0.00 0.00 175.30 173.86 3kg7 s VAL 1161N -2.61 0.71 -0.04 4.99 1.01 -0.42 -0.69 120.40 123.35 3kg7 s VAL 1161Ca -0.04 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 3kg7 s VAL 1161Cb -0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 36.38 35.47 3kg7 s VAL 1161CO -0.03 0.26 1.12 0.11 0.00 0.00 0.00 175.10 176.57 3kg7 h LYS 1162N 7.09 0.13 0.00 2.72 1.57 -1.46 -0.33 116.57 126.29 3kg7 h LYS 1162Ca -0.36 -0.11 -0.18 0.00 -1.87 0.00 0.00 60.65 58.14 3kg7 h LYS 1162Cb 1.16 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 3kg7 h LYS 1162CO 0.48 0.77 -0.11 -1.91 -0.57 0.00 0.00 179.45 178.10 3kg7 n GLU 1163N -4.63 0.38 0.00 3.15 2.13 -0.99 -1.43 120.64 119.24 3kg7 n GLU 1163Ca -0.09 -1.63 0.00 0.00 0.66 0.00 0.00 57.16 56.10 3kg7 n GLU 1163Cb 0.40 1.54 0.00 0.00 0.27 0.00 0.00 31.44 33.64 3kg7 n GLU 1163CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3kg7 n THR 1165N -0.33 0.00 -3.74 6.31 -1.04 0.34 0.34 114.28 116.15 3kg7 n THR 1165Ca 0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.88 3kg7 n THR 1165Cb 0.33 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.70 3kg7 n THR 1165CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3kg7 s LEU 1166N 0.00 0.64 -0.15 -4.42 2.96 -0.74 -1.23 118.68 115.74 3kg7 s LEU 1166Ca 0.00 0.31 -0.13 0.00 -0.22 0.00 0.00 54.13 54.09 3kg7 s LEU 1166Cb 0.00 0.36 -0.24 0.00 0.50 0.00 0.00 46.19 46.81 3kg7 s LEU 1166CO 0.00 -0.16 0.34 -1.28 -1.32 0.00 0.00 176.35 173.94 3kg7 h SER 1167N 7.34 0.27 -5.18 3.68 0.87 -0.81 -1.96 113.55 117.76 3kg7 h SER 1167Ca -0.41 -0.78 -0.04 0.00 -1.23 0.00 0.00 61.79 59.33 3kg7 h SER 1167Cb 1.14 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.94 3kg7 h SER 1167CO 0.40 1.70 -0.00 -1.38 -0.53 0.00 0.00 176.83 177.02 3kg7 s HIS 1168N -2.48 0.26 0.38 2.24 0.00 -1.26 -3.48 115.29 110.95 3kg7 s HIS 1168Ca -0.24 -0.67 -0.26 0.00 -3.00 0.00 0.00 55.06 50.90 3kg7 s HIS 1168Cb 0.06 0.36 -0.12 0.00 -4.00 0.00 0.00 32.58 28.88 3kg7 s HIS 1168CO 0.71 -1.12 1.04 -2.30 -1.00 0.00 0.00 174.74 172.07 3kg7 n PRO 1169N -0.43 1.44 -1.83 -0.38 -0.02 -1.26 -4.93 135.00 127.59 3kg7 n PRO 1169Ca -0.03 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 3kg7 n PRO 1169Cb 0.61 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 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 -1.20 2.27 1.08 3.45 -4.23 -0.69 -5.02 115.64 111.30 3kg7 s THR 1170Ca 0.61 0.20 -0.16 0.00 -1.18 0.00 0.00 61.69 61.17 3kg7 s THR 1170Cb -0.59 -3.13 0.23 0.00 1.34 0.00 0.00 72.50 70.35 3kg7 s THR 1170CO 0.58 0.02 1.13 -2.84 -0.54 0.00 0.00 174.62 172.97 3kg7 s PRO 1171N 0.48 -0.25 0.39 3.99 0.02 -1.26 -4.93 135.00 133.44 3kg7 s PRO 1171Ca 0.68 0.12 0.08 0.00 0.02 0.00 0.00 61.00 61.90 3kg7 s PRO 1171Cb -0.47 -1.69 0.83 0.00 0.02 0.00 0.00 34.50 33.19 3kg7 s PRO 1171CO 0.38 -3.10 2.00 0.66 -0.33 0.00 0.00 177.00 176.60 3kg7 h SER 1172N -2.15 0.54 -3.61 2.53 4.64 -1.95 -3.40 113.55 110.15 3kg7 h SER 1172Ca -0.49 -0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.43 3kg7 h SER 1172Cb 1.31 -0.12 -0.32 0.00 -0.31 0.00 0.00 62.40 62.95 3kg7 h SER 1172CO 0.46 0.36 -0.77 -0.13 -0.87 0.00 0.00 176.83 175.88 3kg7 s ARG 1173N -5.56 0.82 0.21 4.77 0.52 -1.26 -3.40 118.95 115.05 3kg7 s ARG 1173Ca -0.09 -0.17 -0.04 0.00 -0.52 0.00 0.00 55.73 54.91 3kg7 s ARG 1173Cb 0.19 -0.80 0.02 0.00 0.52 0.00 0.00 34.95 34.88 3kg7 s ARG 1173CO 0.75 -0.00 0.35 1.97 0.02 0.00 0.00 175.30 178.39 3kg7 n PHE 1174N 3.69 -1.33 -4.22 -0.53 1.16 -0.63 -4.00 117.46 111.59 3kg7 n PHE 1174Ca -0.22 -1.23 -0.20 0.00 -1.87 0.00 0.00 57.45 53.92 3kg7 n PHE 1174Cb 0.53 0.40 -0.12 0.00 -1.61 0.00 0.00 39.48 38.68 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 -4.35 1.44 -0.19 2.97 2.02 0.11 -0.51 117.35 118.84 3kg7 s TYR 1175Ca 0.14 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.38 3kg7 s TYR 1175Cb -0.01 -0.80 0.01 0.00 -0.40 0.00 0.00 41.96 40.76 3kg7 s TYR 1175CO 0.10 0.12 -0.16 0.00 -1.57 0.00 0.00 175.55 174.04 3kg7 s ALA 1176N -1.29 2.46 -0.14 3.71 0.00 0.16 -1.19 121.76 125.48 3kg7 s ALA 1176Ca 0.02 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.79 3kg7 s ALA 1176Cb -0.10 -1.32 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 3kg7 s ALA 1176CO 0.03 -0.35 -0.17 -0.47 0.00 0.00 0.00 175.76 174.80 3kg7 s TYR 1177N 1.31 2.74 -0.18 0.00 5.04 0.34 -0.62 117.35 125.98 3kg7 s TYR 1177Ca 0.05 -1.04 -0.01 0.00 -2.44 0.00 0.00 57.07 53.63 3kg7 s TYR 1177Cb -0.13 -1.85 0.01 0.00 0.35 0.00 0.00 41.96 40.33 3kg7 s TYR 1177CO -0.10 -0.46 -0.14 0.08 -1.34 0.00 0.00 175.55 173.59 3kg7 s VAL 1178N 0.70 2.60 -0.15 3.14 1.01 -0.47 0.05 120.40 127.28 3kg7 s VAL 1178Ca -0.08 -0.77 0.19 0.00 0.00 0.00 0.00 61.98 61.32 3kg7 s VAL 1178Cb -0.16 -2.12 -0.13 0.00 0.00 0.00 0.00 36.38 33.97 3kg7 s VAL 1178CO 0.01 0.50 0.81 -1.84 0.00 0.00 0.00 175.10 174.58 3kg7 n GLU 1179N 4.50 0.62 -4.13 2.72 0.28 -1.26 -1.40 120.64 121.98 3kg7 n GLU 1179Ca -0.20 0.15 -0.15 0.00 -0.16 0.00 0.00 57.16 56.81 3kg7 n GLU 1179Cb 0.51 -1.77 -0.12 0.00 1.43 0.00 0.00 31.44 31.48 3kg7 n GLU 1179CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3kg7 s GLU 1180N -3.05 0.62 0.76 3.44 2.02 -1.23 -4.39 118.70 116.86 3kg7 s GLU 1180Ca -0.03 -0.72 -0.15 0.00 0.02 0.00 0.00 54.97 54.09 3kg7 s GLU 1180Cb 0.09 -0.49 0.05 0.00 0.10 0.00 0.00 34.13 33.89 3kg7 s GLU 1180CO 0.81 0.11 1.24 -2.30 0.02 0.00 0.00 175.26 175.14 3kg7 n PRO 1181N 1.67 0.50 -2.21 0.39 -0.02 -1.25 -4.73 135.00 129.36 3kg7 n PRO 1181Ca -0.21 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.10 3kg7 n PRO 1181Cb 0.55 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 3kg7 n PRO 1181CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kg7 s SER 1182N -1.87 6.89 0.09 2.55 1.04 -1.26 -4.98 113.70 116.16 3kg7 s SER 1182Ca 0.77 2.46 -0.30 0.00 0.48 0.00 0.00 55.95 59.35 3kg7 s SER 1182Cb -0.32 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.12 3kg7 s SER 1182CO 0.47 -0.51 1.10 -0.13 0.98 0.00 0.00 173.24 175.15 3kg7 s ARG 1183N -0.50 4.53 -0.19 4.02 0.52 0.38 -4.83 118.95 122.88 3kg7 s ARG 1183Ca 0.55 1.66 -0.03 0.00 -0.52 0.00 0.00 55.73 57.39 3kg7 s ARG 1183Cb -0.37 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 31.74 3kg7 s ARG 1183CO 0.41 -0.07 -0.07 0.08 0.02 0.00 0.00 175.30 175.67 3kg7 s VAL 1184N 0.53 3.22 -0.60 3.52 1.01 -1.26 -0.75 120.40 126.07 3kg7 s VAL 1184Ca 0.53 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 3kg7 s VAL 1184Cb -0.27 -2.43 0.15 0.00 0.00 0.00 0.00 36.38 33.83 3kg7 s VAL 1184CO 0.31 0.46 0.41 0.21 0.00 0.00 0.00 175.10 176.49 3kg7 s ASN 1185N 1.15 5.21 0.35 3.32 2.47 -0.31 -4.98 114.94 122.15 3kg7 s ASN 1185Ca 0.02 -2.77 0.03 0.00 0.42 0.00 0.00 52.86 50.55 3kg7 s ASN 1185Cb -0.14 -1.84 0.65 0.00 -1.45 0.00 0.00 41.25 38.46 3kg7 s ASN 1185CO -0.02 -0.38 2.00 -0.33 -3.72 0.00 0.00 177.10 174.64 3kg7 h GLU 1186N 7.12 0.83 0.57 0.43 5.08 -1.95 0.60 114.58 127.26 3kg7 h GLU 1186Ca -0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3kg7 h GLU 1186Cb 0.96 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.03 3kg7 h GLU 1186CO 0.71 0.55 -0.28 0.37 -1.00 0.00 0.00 179.01 179.36 3kg7 h GLN 1187N 0.85 -0.74 0.00 2.33 5.75 -1.95 -2.61 115.11 118.74 3kg7 h GLN 1187Ca 0.26 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 3kg7 h GLN 1187Cb -0.01 0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3kg7 h GLN 1187CO -0.07 -0.49 0.00 1.28 -2.65 0.00 0.00 178.83 176.90 3kg7 n LEU 1188N -5.09 0.34 -3.42 -2.39 4.77 -1.23 -4.86 117.00 105.12 3kg7 n LEU 1188Ca -0.10 0.65 -0.17 0.00 -0.03 0.00 0.00 56.01 56.36 3kg7 n LEU 1188Cb 0.30 -0.69 0.08 0.00 -2.33 0.00 0.00 43.42 40.78 3kg7 n LEU 1188CO 0.23 -0.74 0.07 0.00 -1.33 0.00 0.00 177.39 175.61 3kg7 n GLN 1189N -1.96 -5.32 -3.79 3.23 6.02 -0.70 -4.79 117.38 110.08 3kg7 n GLN 1189Ca -0.01 0.82 -0.26 0.00 -0.01 0.00 0.00 57.00 57.54 3kg7 n GLN 1189Cb 0.04 -5.75 -0.17 0.00 1.02 0.00 0.00 30.24 25.38 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 -3.40 0.64 -0.10 5.09 -4.23 0.12 -2.58 115.64 111.18 3kg7 s THR 1190Ca 0.12 -0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 60.12 3kg7 s THR 1190Cb -0.02 -0.96 -0.05 0.00 1.34 0.00 0.00 72.50 72.82 3kg7 s THR 1190CO 0.74 0.02 0.28 -0.13 -0.54 0.00 0.00 174.62 174.99 3kg7 s ARG 1191N 1.83 3.90 0.06 3.99 0.52 -0.82 -1.16 118.95 127.26 3kg7 s ARG 1191Ca 0.01 0.12 0.05 0.00 -0.52 0.00 0.00 55.73 55.40 3kg7 s ARG 1191Cb -0.15 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 3kg7 s ARG 1191CO -0.07 0.55 -0.15 -1.12 0.02 0.00 0.00 175.30 174.53 3kg7 s SER 1192N -0.50 1.78 0.33 0.23 0.01 0.07 -0.67 113.70 114.94 3kg7 s SER 1192Ca 0.18 -0.54 -0.18 0.00 1.31 0.00 0.00 55.95 56.72 3kg7 s SER 1192Cb -0.14 -0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.04 3kg7 s SER 1192CO 0.07 0.00 0.76 -0.72 0.41 0.00 0.00 173.24 173.76 3kg7 s TYR 1193N -1.03 -0.04 0.01 2.43 1.13 -0.57 -0.47 117.35 118.81 3kg7 s TYR 1193Ca 0.01 -0.53 0.07 0.00 -1.41 0.00 0.00 57.07 55.21 3kg7 s TYR 1193Cb -0.09 0.77 -0.02 0.00 -1.10 0.00 0.00 41.96 41.52 3kg7 s TYR 1193CO 0.02 -1.40 -0.21 -0.51 -2.51 0.00 0.00 175.55 170.94 3kg7 s ASP 1194N -2.99 2.52 -0.07 -0.18 1.01 -1.26 -0.54 116.67 115.15 3kg7 s ASP 1194Ca 0.13 -0.45 0.02 0.00 0.71 0.00 0.00 52.55 52.96 3kg7 s ASP 1194Cb -0.06 -0.25 0.01 0.00 1.01 0.00 0.00 42.92 43.64 3kg7 s ASP 1194CO 0.09 0.22 -0.12 -0.63 0.21 0.00 0.00 175.17 174.94 3kg7 s ILE 1195N -0.64 1.15 -0.18 0.77 1.09 0.13 -4.47 121.20 119.05 3kg7 s ILE 1195Ca 0.08 -0.48 -0.09 0.00 -1.10 0.00 0.00 60.65 59.05 3kg7 s ILE 1195Cb -0.09 -1.05 -0.05 0.00 -1.06 0.00 0.00 42.46 40.21 3kg7 s ILE 1195CO 0.00 0.36 0.14 -1.10 -0.10 0.00 0.00 174.94 174.24 3kg7 s GLN 1196N 0.70 4.03 -0.32 2.79 -1.52 0.11 -0.45 119.66 124.99 3kg7 s GLN 1196Ca -0.14 -0.19 -0.15 0.00 -1.95 0.00 0.00 55.36 52.94 3kg7 s GLN 1196Cb -0.16 -3.37 -0.02 0.00 -0.22 0.00 0.00 33.01 29.24 3kg7 s GLN 1196CO 0.03 0.40 0.34 -0.51 -0.25 0.00 0.00 175.29 175.30 3kg7 s LEU 1197N 0.05 4.34 -0.06 2.90 1.02 0.10 -0.50 118.68 126.53 3kg7 s LEU 1197Ca 0.10 -0.14 0.05 0.00 0.02 0.00 0.00 54.13 54.15 3kg7 s LEU 1197Cb -0.11 -2.32 -0.02 0.00 0.02 0.00 0.00 46.19 43.76 3kg7 s LEU 1197CO -0.00 -0.28 -0.20 -0.76 0.02 0.00 0.00 176.35 175.13 3kg7 s LEU 1198N 1.98 2.38 0.00 1.79 1.43 -0.33 -0.84 118.68 125.09 3kg7 s LEU 1198Ca 0.11 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3kg7 s LEU 1198Cb -0.16 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.60 3kg7 s LEU 1198CO 0.11 0.27 0.02 -0.90 0.23 0.00 0.00 176.35 176.09 3kg7 n ASP 1199N 2.79 -0.44 0.13 2.29 3.85 0.82 0.04 116.55 126.04 3kg7 n ASP 1199Ca -0.17 -0.80 0.04 0.00 -0.71 0.00 0.00 54.79 53.15 3kg7 n ASP 1199Cb 0.52 -0.02 0.46 0.00 -1.35 0.00 0.00 41.12 40.73 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 0.23 0.00 0.11 4.81 -1.89 -2.24 114.58 115.60 3kg7 h GLU 1200Ca -0.01 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 3kg7 h GLU 1200Cb 0.02 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3kg7 h GLU 1200CO 0.01 0.28 -0.54 1.15 -0.73 0.00 0.00 179.01 179.17 3kg7 h THR 1201N 0.23 1.03 0.00 0.32 2.02 -1.94 -3.48 112.91 111.09 3kg7 h THR 1201Ca 0.05 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.07 3kg7 h THR 1201Cb 0.20 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 3kg7 h THR 1201CO 0.01 0.53 0.00 0.61 0.37 0.00 0.00 175.52 177.04 3kg7 n GLY 1202N 0.85 1.06 3.75 2.16 0.00 -0.84 -4.51 105.19 107.66 3kg7 n GLY 1202Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.50 4.54 0.31 1.61 0.74 -1.26 -1.40 119.66 123.70 3kg7 s GLN 1203Ca 0.00 1.14 -0.29 0.00 0.05 0.00 0.00 55.36 56.27 3kg7 s GLN 1203Cb 0.00 -3.35 -0.10 0.00 1.10 0.00 0.00 33.01 30.67 3kg7 s GLN 1203CO 0.00 0.32 1.15 0.00 -0.55 0.00 0.00 175.29 176.21 3kg7 s ALA 1204N -0.24 3.39 0.00 1.58 0.00 -0.58 -0.12 121.76 125.78 3kg7 s ALA 1204Ca 0.39 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.32 3kg7 s ALA 1204Cb -0.21 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3kg7 s ALA 1204CO 0.25 -0.29 0.23 1.97 0.00 0.00 0.00 175.76 177.91 3kg7 n PHE 1205N 0.95 0.00 -3.56 0.00 1.16 -0.02 -4.74 117.46 111.25 3kg7 n PHE 1205Ca -0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 57.45 55.50 3kg7 n PHE 1205Cb 0.44 -0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.29 3kg7 n PHE 1205CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3kg7 s GLY 1206N -0.04 -0.36 0.00 4.97 0.00 -1.18 -0.12 107.32 110.60 3kg7 s GLY 1206Ca 0.00 1.37 -0.04 0.00 0.00 0.00 0.00 44.72 46.06 3kg7 s GLY 1206CO 0.00 0.46 0.06 0.50 0.00 0.00 0.00 173.10 174.12 3kg7 s ARG 1207N -2.69 0.34 -0.23 2.90 0.52 -0.37 0.02 118.95 119.45 3kg7 s ARG 1207Ca 0.08 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.91 3kg7 s ARG 1207Cb -0.01 0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.65 3kg7 s ARG 1207CO -0.06 -0.07 -0.11 0.42 0.02 0.00 0.00 175.30 175.50 3kg7 s ILE 1208N -1.16 1.89 -0.15 1.52 1.01 0.41 -0.51 121.20 124.21 3kg7 s ILE 1208Ca -0.13 -1.32 -0.06 0.00 0.00 0.00 0.00 60.65 59.15 3kg7 s ILE 1208Cb -0.07 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3kg7 s ILE 1208CO 0.00 0.07 0.04 0.20 0.00 0.00 0.00 174.94 175.25 3kg7 s ASN 1209N 1.26 5.51 -0.80 3.58 0.01 0.15 -0.69 114.94 123.97 3kg7 s ASN 1209Ca -0.05 0.11 -0.04 0.00 -0.71 0.00 0.00 52.86 52.17 3kg7 s ASN 1209Cb -0.18 -1.85 0.00 0.00 0.41 0.00 0.00 41.25 39.64 3kg7 s ASN 1209CO -0.07 0.24 0.52 0.61 -1.51 0.00 0.00 177.10 176.89 3kg7 n GLY 1210N 3.08 0.08 3.58 0.66 0.00 -1.12 -2.04 105.19 109.43 3kg7 n GLY 1210Ca -0.17 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.05 1.72 -0.20 1.61 2.19 0.30 -3.57 117.98 116.98 3kg7 s PHE 1211Ca 0.26 0.71 -0.05 0.00 0.33 0.00 0.00 56.93 58.18 3kg7 s PHE 1211Cb -0.11 -4.08 -0.03 0.00 -1.31 0.00 0.00 43.02 37.49 3kg7 s PHE 1211CO 0.32 -2.79 0.00 0.99 1.83 0.00 0.00 175.22 175.57 3kg7 s THR 1212N 7.73 3.98 0.16 0.12 2.01 0.13 -1.51 115.64 128.26 3kg7 s THR 1212Ca 0.78 -0.31 0.06 0.00 0.31 0.00 0.00 61.69 62.53 3kg7 s THR 1212Cb -0.20 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 3kg7 s THR 1212CO 0.30 0.43 0.09 0.68 -0.69 0.00 0.00 174.62 175.43 3kg7 s VAL 1213N 0.93 4.25 -0.00 3.82 -7.23 0.15 -0.06 120.40 122.27 3kg7 s VAL 1213Ca 0.01 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 3kg7 s VAL 1213Cb -0.14 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.65 3kg7 s VAL 1213CO 0.02 -0.08 -0.01 -0.75 -0.31 0.00 0.00 175.10 173.97 3kg7 s LYS 1214N -2.98 0.06 0.22 4.82 2.20 0.74 -1.94 119.74 122.87 3kg7 s LYS 1214Ca 0.30 -0.02 -0.32 0.00 -0.36 0.00 0.00 55.97 55.56 3kg7 s LYS 1214Cb -0.10 -0.07 -0.13 0.00 -1.51 0.00 0.00 37.83 36.03 3kg7 s LYS 1214CO 0.22 0.01 1.63 0.54 -0.36 0.00 0.00 175.35 177.38 3kg7 n ARG 1215N 3.09 2.52 -3.51 4.03 1.74 -1.07 -1.17 116.66 122.30 3kg7 n ARG 1215Ca -0.13 0.91 -0.29 0.00 -0.77 0.00 0.00 57.85 57.57 3kg7 n ARG 1215Cb 0.59 -2.70 -0.14 0.00 -1.02 0.00 0.00 32.46 29.20 3kg7 n ARG 1215CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kg7 s ALA 1216N 0.71 0.77 0.65 7.54 0.00 0.06 -4.88 121.76 126.62 3kg7 s ALA 1216Ca 0.73 -1.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.08 3kg7 s ALA 1216Cb -0.56 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 3kg7 s ALA 1216CO 0.39 -1.85 1.27 -2.14 0.00 0.00 0.00 175.76 173.43 3kg7 s PRO 1217N 1.64 2.54 0.26 0.00 0.02 -1.26 -3.72 135.00 134.48 3kg7 s PRO 1217Ca 0.13 1.98 -0.02 0.00 0.02 0.00 0.00 61.00 63.11 3kg7 s PRO 1217Cb -0.19 -1.85 0.48 0.00 0.02 0.00 0.00 34.50 32.96 3kg7 s PRO 1217CO -0.20 -1.59 1.80 0.66 -0.33 0.00 0.00 177.00 177.34 3kg7 h SER 1218N 0.45 0.69 -0.93 2.53 4.64 -1.96 0.18 113.55 119.14 3kg7 h SER 1218Ca -0.50 0.06 0.06 0.00 -0.47 0.00 0.00 61.79 60.94 3kg7 h SER 1218Cb 1.32 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.29 3kg7 h SER 1218CO 0.53 0.35 0.59 0.06 -0.87 0.00 0.00 176.83 177.49 3kg7 h GLN 1219N 0.78 1.05 0.16 4.77 3.07 -1.95 -1.26 115.11 121.74 3kg7 h GLN 1219Ca 0.44 -0.06 -0.23 0.00 0.09 0.00 0.00 58.65 58.89 3kg7 h GLN 1219Cb 0.49 -0.24 0.02 0.00 0.08 0.00 0.00 27.48 27.84 3kg7 h GLN 1219CO -0.29 0.69 -1.06 -0.07 0.09 0.00 0.00 178.83 178.19 3kg7 h LEU 1220N 1.08 0.54 -0.24 0.06 4.07 -1.69 -3.37 115.31 115.77 3kg7 h LEU 1220Ca 0.40 -0.93 -0.06 0.00 0.08 0.00 0.00 57.88 57.37 3kg7 h LEU 1220Cb 0.16 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3kg7 h LEU 1220CO -0.17 1.50 -0.07 0.15 -1.08 0.00 0.00 178.44 178.78 3kg7 h PHE 1221N -0.24 0.54 -0.97 1.13 3.57 -0.48 -3.22 116.94 117.27 3kg7 h PHE 1221Ca -0.20 -0.12 -0.58 0.00 3.53 0.00 0.00 57.97 60.61 3kg7 h PHE 1221Cb 1.78 -0.13 -0.30 0.00 2.79 0.00 0.00 35.95 40.10 3kg7 h PHE 1221CO 0.17 0.71 0.69 1.28 -2.23 0.00 0.00 178.31 178.93 3kg7 n LEU 1222N -4.55 7.04 0.00 0.59 4.77 -0.49 -4.56 117.00 119.80 3kg7 n LEU 1222Ca -0.04 -3.96 0.00 0.00 -0.03 0.00 0.00 56.01 51.98 3kg7 n LEU 1222Cb 0.30 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 3kg7 n LEU 1222CO 0.39 1.28 0.00 0.29 -1.33 0.00 0.00 177.39 178.02