#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr7 s THR 953 N 0.00 5.29 0.12 2.61 2.01 -1.26 -4.42 115.64 119.99 3kr7 s THR 953 Ca 0.00 0.54 0.10 0.00 0.31 0.00 0.00 61.69 62.63 3kr7 s THR 953 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 3kr7 s THR 953 CO 0.00 0.46 -0.24 0.27 -0.69 0.00 0.00 174.62 174.42 3kr7 s ILE 954 N -0.02 2.02 -0.19 1.82 -4.36 -0.32 -4.98 121.20 115.16 3kr7 s ILE 954 Ca 0.17 -1.67 -0.02 0.00 -0.26 0.00 0.00 60.65 58.87 3kr7 s ILE 954 Cb -0.13 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.77 3kr7 s ILE 954 CO 0.05 0.02 -0.11 -0.76 0.24 0.00 0.00 174.94 174.38 3kr7 s LEU 955 N -2.01 2.61 -0.27 0.37 1.43 -1.26 -0.82 118.68 118.72 3kr7 s LEU 955 Ca 0.11 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3kr7 s LEU 955 Cb -0.10 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 3kr7 s LEU 955 CO 0.05 0.01 0.08 -0.63 0.23 0.00 0.00 176.35 176.09 3kr7 s ILE 956 N 1.27 4.16 0.17 -0.59 -1.09 0.14 -4.92 121.20 120.33 3kr7 s ILE 956 Ca 0.03 -0.43 -0.32 0.00 -2.23 0.00 0.00 60.65 57.70 3kr7 s ILE 956 Cb -0.14 -3.04 -0.10 0.00 -1.58 0.00 0.00 42.46 37.59 3kr7 s ILE 956 CO -0.05 0.20 1.56 -0.62 -1.23 0.00 0.00 174.94 174.80 3kr7 s ASP 957 N 1.56 6.59 -0.07 3.58 3.68 -1.26 -0.49 116.67 130.26 3kr7 s ASP 957 Ca 0.05 2.62 -0.09 0.00 2.13 0.00 0.00 52.55 57.25 3kr7 s ASP 957 Cb -0.16 -2.59 -0.05 0.00 -1.45 0.00 0.00 42.92 38.67 3kr7 s ASP 957 CO 0.03 -0.82 0.23 -0.76 0.13 0.00 0.00 175.17 173.98 3kr7 s LEU 958 N 1.09 4.41 0.24 -1.34 1.43 -0.23 -4.92 118.68 119.36 3kr7 s LEU 958 Ca 0.70 0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 54.12 3kr7 s LEU 958 Cb -0.44 -2.27 -0.09 0.00 0.03 0.00 0.00 46.19 43.42 3kr7 s LEU 958 CO 0.32 0.37 1.03 -0.55 0.23 0.00 0.00 176.35 177.75 3kr7 s SER 959 N -1.11 7.42 0.65 2.29 0.15 -1.26 -4.64 113.70 117.21 3kr7 s SER 959 Ca 0.19 2.10 0.32 0.00 0.70 0.00 0.00 55.95 59.26 3kr7 s SER 959 Cb -0.13 -2.62 1.75 0.00 -1.71 0.00 0.00 66.02 63.31 3kr7 s SER 959 CO 0.08 -0.03 1.98 -0.65 1.20 0.00 0.00 173.24 175.81 3kr7 h PRO 960 N 4.20 0.00 0.00 5.44 0.11 -1.97 0.18 132.00 139.96 3kr7 h PRO 960 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kr7 h PRO 960 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kr7 h PRO 960 CO 0.68 0.00 -0.26 -0.25 -0.21 0.00 0.00 178.00 177.96 3kr7 n ASP 961 N -2.89 0.41 -4.72 -2.05 8.00 -1.26 -4.59 116.55 109.44 3kr7 n ASP 961 Ca -0.02 0.23 -0.42 0.00 0.71 0.00 0.00 54.79 55.29 3kr7 n ASP 961 Cb 0.32 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 3kr7 n ASP 961 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kr7 s ASP 962 N -3.48 7.28 0.55 -2.24 -1.08 0.64 -4.92 116.67 113.42 3kr7 s ASP 962 Ca 0.11 1.91 0.24 0.00 -0.52 0.00 0.00 52.55 54.30 3kr7 s ASP 962 Cb 0.16 -2.59 1.45 0.00 -1.46 0.00 0.00 42.92 40.49 3kr7 s ASP 962 CO 0.62 -0.27 2.07 0.07 0.52 0.00 0.00 175.17 178.18 3kr7 h LYS 963 N 6.04 0.00 -0.27 4.34 2.10 -1.88 -1.92 116.57 124.98 3kr7 h LYS 963 Ca -0.43 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.06 3kr7 h LYS 963 Cb 1.21 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3kr7 h LYS 963 CO 0.75 0.00 -0.46 1.49 -2.00 0.00 0.00 179.45 179.23 3kr7 h GLU 964 N 0.00 0.79 -0.21 0.07 4.81 -1.91 0.01 114.58 118.14 3kr7 h GLU 964 Ca 0.14 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3kr7 h GLU 964 Cb 0.59 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3kr7 h GLU 964 CO -0.00 1.12 0.13 0.35 -0.73 0.00 0.00 179.01 179.88 3kr7 h PHE 965 N 0.55 0.26 -0.35 0.92 3.04 -1.61 -2.39 116.94 117.36 3kr7 h PHE 965 Ca 0.02 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 3kr7 h PHE 965 Cb 1.06 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 3kr7 h PHE 965 CO 0.08 0.18 -0.09 1.96 -2.02 0.00 0.00 178.31 178.43 3kr7 h GLN 966 N 0.27 0.59 -0.17 1.11 4.20 -1.18 0.07 115.11 119.99 3kr7 h GLN 966 Ca 0.07 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.46 3kr7 h GLN 966 Cb -0.01 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3kr7 h GLN 966 CO -0.02 0.68 -0.56 0.66 -0.67 0.00 0.00 178.83 178.92 3kr7 h SER 967 N 0.55 0.57 -0.23 1.46 4.64 -0.88 -1.64 113.55 118.02 3kr7 h SER 967 Ca 0.10 -0.31 -0.08 0.00 -0.47 0.00 0.00 61.79 61.04 3kr7 h SER 967 Cb 0.48 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3kr7 h SER 967 CO 0.03 1.01 -0.18 0.58 -0.87 0.00 0.00 176.83 177.39 3kr7 h VAL 968 N 0.39 1.32 -0.84 0.95 2.07 -1.13 -2.51 116.25 116.50 3kr7 h VAL 968 Ca 0.01 -1.32 0.03 0.00 0.82 0.00 0.00 66.70 66.24 3kr7 h VAL 968 Cb 1.09 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.49 3kr7 h VAL 968 CO 0.10 0.41 0.54 -0.08 0.02 0.00 0.00 177.57 178.56 3kr7 h GLU 969 N 0.22 1.04 -0.65 1.57 4.81 -0.96 -1.43 114.58 119.18 3kr7 h GLU 969 Ca 0.04 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 3kr7 h GLU 969 Cb 0.72 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 3kr7 h GLU 969 CO 0.05 0.69 0.17 1.49 -0.73 0.00 0.00 179.01 180.67 3kr7 h GLU 970 N 1.07 1.02 -0.57 1.92 4.57 -1.12 -0.92 114.58 120.54 3kr7 h GLU 970 Ca 0.33 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 58.19 3kr7 h GLU 970 Cb -0.02 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 3kr7 h GLU 970 CO -0.10 0.89 0.00 1.49 -1.18 0.00 0.00 179.01 180.11 3kr7 h GLU 971 N 0.97 0.99 0.37 1.92 4.57 -1.01 0.34 114.58 122.73 3kr7 h GLU 971 Ca 0.21 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3kr7 h GLU 971 Cb 0.33 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 3kr7 h GLU 971 CO -0.00 0.97 -0.34 0.52 -1.18 0.00 0.00 179.01 178.98 3kr7 h MET 972 N 0.91 -0.70 -0.38 1.92 2.86 -0.68 -3.12 114.93 115.74 3kr7 h MET 972 Ca 0.17 0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.75 3kr7 h MET 972 Cb 0.52 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 3kr7 h MET 972 CO 0.03 -0.47 -0.18 1.96 1.06 0.00 0.00 176.91 179.30 3kr7 h GLN 973 N -0.73 0.80 0.00 1.72 1.08 -1.13 -3.21 115.11 113.64 3kr7 h GLN 973 Ca -0.03 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 3kr7 h GLN 973 Cb 0.65 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 3kr7 h GLN 973 CO -0.04 0.97 0.00 -1.13 -0.95 0.00 0.00 178.83 177.68 3kr7 n SER 974 N -4.27 0.59 -0.96 1.46 3.41 0.10 -3.05 113.62 110.91 3kr7 n SER 974 Ca -0.02 0.60 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 3kr7 n SER 974 Cb 0.42 -0.74 0.25 0.00 -0.26 0.00 0.00 64.21 63.87 3kr7 n SER 974 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kr7 n THR 975 N -2.10 1.81 -2.12 6.66 -2.24 -1.18 -4.95 114.28 110.16 3kr7 n THR 975 Ca 0.04 -1.46 -0.41 0.00 -2.27 0.00 0.00 64.05 59.95 3kr7 n THR 975 Cb 0.31 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 3kr7 n THR 975 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kr7 s VAL 976 N -2.06 2.94 0.30 2.28 1.01 -1.17 -2.80 120.40 120.90 3kr7 s VAL 976 Ca 0.38 0.79 0.03 0.00 0.00 0.00 0.00 61.98 63.17 3kr7 s VAL 976 Cb 0.27 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 3kr7 s VAL 976 CO 0.14 0.12 0.09 0.00 0.00 0.00 0.00 175.10 175.45 3kr7 s ARG 977 N -0.26 1.56 0.41 2.72 1.70 -1.26 -4.99 118.95 118.83 3kr7 s ARG 977 Ca 0.58 -1.87 -0.24 0.00 -0.47 0.00 0.00 55.73 53.73 3kr7 s ARG 977 Cb -0.39 -0.52 -0.09 0.00 -0.57 0.00 0.00 34.95 33.38 3kr7 s ARG 977 CO 0.41 -0.28 1.05 -1.21 -1.08 0.00 0.00 175.30 174.19 3kr7 s GLU 978 N -3.94 4.14 0.07 3.89 2.02 -1.26 -4.94 118.70 118.68 3kr7 s GLU 978 Ca 0.36 1.50 0.07 0.00 0.02 0.00 0.00 54.97 56.92 3kr7 s GLU 978 Cb 0.08 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 3kr7 s GLU 978 CO 0.15 -0.16 -0.15 -1.01 0.02 0.00 0.00 175.26 174.11 3kr7 s HIS 979 N -1.68 2.63 -0.51 1.61 3.76 -1.26 -5.02 115.29 114.82 3kr7 s HIS 979 Ca 0.58 -0.21 0.23 0.00 -0.15 0.00 0.00 55.06 55.51 3kr7 s HIS 979 Cb -0.22 -1.44 0.96 0.00 1.11 0.00 0.00 32.58 32.99 3kr7 s HIS 979 CO 0.27 0.34 1.69 0.54 -0.85 0.00 0.00 174.74 176.73 3kr7 n ARG 980 N 1.17 0.18 -0.06 1.40 1.74 -1.26 -1.78 116.66 118.05 3kr7 n ARG 980 Ca -0.15 0.42 0.06 0.00 -0.77 0.00 0.00 57.85 57.40 3kr7 n ARG 980 Cb 0.52 -1.84 0.24 0.00 -1.02 0.00 0.00 32.46 30.36 3kr7 n ARG 980 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3kr7 n ASP 981 N -2.18 0.79 -0.84 0.55 5.75 -1.26 -4.90 116.55 114.46 3kr7 n ASP 981 Ca 0.02 -1.80 -0.11 0.00 -0.01 0.00 0.00 54.79 52.89 3kr7 n ASP 981 Cb 0.22 -0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 40.18 3kr7 n ASP 981 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kr7 n GLY 982 N 0.83 1.15 0.00 6.12 0.00 -0.73 -1.90 105.19 110.66 3kr7 n GLY 982 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3kr7 n GLY 982 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr7 n GLY 983 N -0.72 0.69 0.22 -0.02 0.00 -1.26 -4.80 105.19 99.30 3kr7 n GLY 983 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 3kr7 n GLY 983 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kr7 h HIS 984 N 0.00 -0.43 -0.01 1.61 -0.00 -1.67 0.28 115.15 114.93 3kr7 h HIS 984 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 3kr7 h HIS 984 Cb 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.63 3kr7 h HIS 984 CO 0.00 -0.24 -0.06 0.00 -0.00 0.00 0.00 177.93 177.63 3kr7 h ALA 985 N 0.93 0.02 0.00 5.26 0.00 -1.85 -3.40 119.26 120.22 3kr7 h ALA 985 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3kr7 h ALA 985 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kr7 h ALA 985 CO -0.31 -0.10 -0.85 0.41 0.00 0.00 0.00 179.25 178.40 3kr7 n GLY 986 N 0.75 -0.45 0.00 0.00 0.00 -1.19 -4.01 105.19 100.29 3kr7 n GLY 986 Ca -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3kr7 n GLY 986 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr7 n GLY 987 N 1.39 1.16 3.54 -0.02 0.00 0.97 -4.66 105.19 107.58 3kr7 n GLY 987 Ca 0.02 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 3kr7 n GLY 987 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kr7 s ILE 988 N -2.09 5.29 -0.13 -0.61 1.01 -1.26 -4.41 121.20 119.00 3kr7 s ILE 988 Ca 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 3kr7 s ILE 988 Cb 0.00 -3.68 0.12 0.00 0.01 0.00 0.00 42.46 38.92 3kr7 s ILE 988 CO 0.00 0.05 1.00 0.72 0.00 0.00 0.00 174.94 176.71 3kr7 s PHE 989 N 1.75 -0.33 -0.39 3.97 -0.12 -1.26 -4.50 117.98 117.09 3kr7 s PHE 989 Ca 0.07 0.45 0.10 0.00 -0.05 0.00 0.00 56.93 57.50 3kr7 s PHE 989 Cb -0.17 0.48 -0.12 0.00 -0.63 0.00 0.00 43.02 42.58 3kr7 s PHE 989 CO 0.11 -0.37 0.39 0.09 -0.05 0.00 0.00 175.22 175.38 3kr7 n ASN 990 N 0.39 0.84 -3.67 1.98 3.02 -1.26 -4.94 115.26 111.63 3kr7 n ASN 990 Ca -0.08 -0.61 -0.07 0.00 -0.03 0.00 0.00 54.58 53.79 3kr7 n ASN 990 Cb 0.59 1.08 -0.02 0.00 -0.61 0.00 0.00 39.78 40.82 3kr7 n ASN 990 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kr7 s ARG 991 N -2.07 1.29 0.18 3.52 1.70 -1.26 -4.89 118.95 117.41 3kr7 s ARG 991 Ca 0.02 -0.63 0.06 0.00 -0.47 0.00 0.00 55.73 54.71 3kr7 s ARG 991 Cb 0.07 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 3kr7 s ARG 991 CO 0.41 -0.58 0.08 0.71 -1.08 0.00 0.00 175.30 174.84 3kr7 s TYR 992 N -3.51 3.00 -0.49 5.89 2.02 -1.26 -1.81 117.35 121.20 3kr7 s TYR 992 Ca 0.08 -0.08 -0.18 0.00 -0.37 0.00 0.00 57.07 56.53 3kr7 s TYR 992 Cb -0.02 -1.44 0.06 0.00 -0.40 0.00 0.00 41.96 40.16 3kr7 s TYR 992 CO -0.02 0.52 0.53 1.21 -1.57 0.00 0.00 175.55 176.22 3kr7 s ASN 993 N -3.08 6.20 -0.13 2.29 2.47 -0.15 -4.89 114.94 117.64 3kr7 s ASN 993 Ca 0.30 -1.03 -0.28 0.00 0.42 0.00 0.00 52.86 52.27 3kr7 s ASN 993 Cb -0.09 -2.25 -0.01 0.00 -1.45 0.00 0.00 41.25 37.45 3kr7 s ASN 993 CO 0.21 -0.78 0.97 -0.63 -3.72 0.00 0.00 177.10 173.15 3kr7 s ILE 994 N 2.24 4.80 -0.18 -5.21 -1.09 -1.26 -1.13 121.20 119.37 3kr7 s ILE 994 Ca 0.11 1.94 0.16 0.00 -2.23 0.00 0.00 60.65 60.63 3kr7 s ILE 994 Cb -0.21 -4.27 -0.22 0.00 -1.58 0.00 0.00 42.46 36.18 3kr7 s ILE 994 CO 0.10 -0.01 0.06 0.18 -1.23 0.00 0.00 174.94 174.05 3kr7 n LEU 995 N 5.19 0.00 -3.62 2.97 4.77 0.12 -4.97 117.00 121.46 3kr7 n LEU 995 Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 3kr7 n LEU 995 Cb 0.48 0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.95 3kr7 n LEU 995 CO 0.51 0.45 0.61 -0.75 -1.33 0.00 0.00 177.39 176.87 3kr7 s LYS 996 N -2.44 0.67 -0.12 3.23 2.20 -0.85 -4.99 119.74 117.44 3kr7 s LYS 996 Ca -0.09 0.68 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 3kr7 s LYS 996 Cb 0.05 0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.72 3kr7 s LYS 996 CO 0.74 -0.10 -0.10 0.42 -0.36 0.00 0.00 175.35 175.95 3kr7 s ILE 997 N 0.06 1.22 -0.09 5.43 1.01 -1.26 -0.66 121.20 126.92 3kr7 s ILE 997 Ca 0.01 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3kr7 s ILE 997 Cb -0.04 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 3kr7 s ILE 997 CO -0.02 0.40 -0.19 -1.10 0.00 0.00 0.00 174.94 174.04 3kr7 s GLN 998 N 1.55 2.93 -0.03 2.79 -0.21 -0.19 -1.06 119.66 125.44 3kr7 s GLN 998 Ca 0.03 -0.78 -0.30 0.00 0.02 0.00 0.00 55.36 54.33 3kr7 s GLN 998 Cb -0.13 -2.39 -0.03 0.00 1.00 0.00 0.00 33.01 31.45 3kr7 s GLN 998 CO -0.08 0.33 1.13 0.21 -2.12 0.00 0.00 175.29 174.76 3kr7 s LYS 999 N 0.01 4.41 -0.23 2.91 2.20 0.36 -0.16 119.74 129.24 3kr7 s LYS 999 Ca -0.06 1.61 -0.18 0.00 -0.36 0.00 0.00 55.97 56.97 3kr7 s LYS 999 Cb -0.15 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 3kr7 s LYS 999 CO 0.05 -0.32 0.53 0.08 -0.36 0.00 0.00 175.35 175.33 3kr7 s VAL 1000N 1.72 5.08 -0.15 4.02 1.01 -0.28 -0.69 120.40 131.12 3kr7 s VAL 1000Ca 0.55 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.47 3kr7 s VAL 1000Cb -0.24 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.32 3kr7 s VAL 1000CO 0.24 0.12 -0.12 0.00 0.00 0.00 0.00 175.10 175.35 3kr7 s ASN 1002N 1.54 -0.54 0.19 0.00 3.84 -1.26 -1.17 114.94 117.54 3kr7 s ASN 1002Ca 0.04 0.23 -0.12 0.00 0.21 0.00 0.00 52.86 53.22 3kr7 s ASN 1002Cb -0.13 1.58 0.11 0.00 -0.55 0.00 0.00 41.25 42.26 3kr7 s ASN 1002CO -0.10 -0.30 1.85 0.50 -2.79 0.00 0.00 177.10 176.26 3kr7 h LYS 1003N 8.09 0.81 -0.23 0.43 3.64 -1.98 -0.33 116.57 127.00 3kr7 h LYS 1003Ca -0.14 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3kr7 h LYS 1003Cb 1.15 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3kr7 h LYS 1003CO 0.24 0.54 0.07 -0.22 -2.27 0.00 0.00 179.45 177.81 3kr7 h LYS 1004N 0.84 0.36 -0.55 1.90 3.64 -1.97 -0.95 116.57 119.83 3kr7 h LYS 1004Ca 0.23 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3kr7 h LYS 1004Cb -0.08 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3kr7 h LYS 1004CO -0.06 0.45 0.16 -0.07 -2.27 0.00 0.00 179.45 177.66 3kr7 h LEU 1005N 0.20 0.76 -0.30 5.20 3.38 -1.92 -1.87 115.31 120.76 3kr7 h LEU 1005Ca 0.07 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3kr7 h LEU 1005Cb 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kr7 h LEU 1005CO -0.00 0.73 0.03 -0.25 0.09 0.00 0.00 178.44 179.04 3kr7 h TRP 1006N 0.80 0.53 -0.07 1.13 2.91 -0.82 -1.91 115.95 118.52 3kr7 h TRP 1006Ca 0.18 -0.08 -0.06 0.00 1.13 0.00 0.00 58.89 60.06 3kr7 h TRP 1006Cb 0.25 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 3kr7 h TRP 1006CO 0.01 0.60 -0.24 0.93 -1.03 0.00 0.00 178.44 178.71 3kr7 h GLU 1007N 0.31 0.13 -0.49 2.65 5.08 -0.98 0.91 114.58 122.19 3kr7 h GLU 1007Ca 0.09 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3kr7 h GLU 1007Cb 0.37 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3kr7 h GLU 1007CO 0.01 0.37 0.17 -0.09 -1.00 0.00 0.00 179.01 178.47 3kr7 h ARG 1008N 0.12 0.75 0.26 2.33 2.43 -1.23 -1.72 114.38 117.31 3kr7 h ARG 1008Ca 0.02 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3kr7 h ARG 1008Cb 0.50 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3kr7 h ARG 1008CO 0.03 0.69 -0.12 -0.92 -1.51 0.00 0.00 179.97 178.14 3kr7 h TYR 1009N 0.65 -0.32 0.00 2.20 5.03 -0.51 -2.61 116.97 121.41 3kr7 h TYR 1009Ca 0.16 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.41 3kr7 h TYR 1009Cb 0.24 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 3kr7 h TYR 1009CO 0.01 -0.07 -0.27 1.79 -1.32 0.00 0.00 178.16 178.30 3kr7 h THR 1010N -0.52 0.86 -0.13 1.81 1.35 -0.85 -1.22 112.91 114.21 3kr7 h THR 1010Ca -0.04 -1.07 -0.03 0.00 -0.55 0.00 0.00 66.41 64.72 3kr7 h THR 1010Cb 0.39 1.64 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3kr7 h THR 1010CO 0.06 0.27 -0.06 -0.74 -0.25 0.00 0.00 175.52 174.80 3kr7 h HIS 1011N 0.00 0.30 -0.17 4.73 -0.00 -1.29 -2.44 115.15 116.29 3kr7 h HIS 1011Ca -0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 60.37 60.22 3kr7 h HIS 1011Cb 0.62 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 3kr7 h HIS 1011CO 0.00 0.59 -0.24 -0.09 -0.00 0.00 0.00 177.93 178.19 3kr7 h ARG 1012N -0.07 0.30 -0.55 5.26 9.65 -1.23 -2.80 114.38 124.94 3kr7 h ARG 1012Ca 0.03 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 3kr7 h ARG 1012Cb 0.51 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 3kr7 h ARG 1012CO 0.02 0.53 0.18 -0.09 2.80 0.00 0.00 179.97 183.41 3kr7 h ARG 1013N 0.27 0.84 -0.70 0.20 2.43 -1.10 -1.43 114.38 114.90 3kr7 h ARG 1013Ca 0.04 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 3kr7 h ARG 1013Cb 0.58 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3kr7 h ARG 1013CO 0.04 0.76 0.20 -0.22 -1.51 0.00 0.00 179.97 179.24 3kr7 h LYS 1014N 0.76 1.11 -0.22 0.20 3.64 -1.32 0.07 116.57 120.81 3kr7 h LYS 1014Ca 0.18 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3kr7 h LYS 1014Cb 0.26 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3kr7 h LYS 1014CO -0.01 0.96 0.10 0.93 -2.27 0.00 0.00 179.45 179.17 3kr7 h GLU 1015N 1.04 0.21 -0.46 1.90 5.08 -1.20 -1.75 114.58 119.40 3kr7 h GLU 1015Ca 0.22 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3kr7 h GLU 1015Cb 0.34 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3kr7 h GLU 1015CO -0.00 0.14 0.09 0.28 -1.00 0.00 0.00 179.01 178.52 3kr7 h VAL 1016N 0.22 1.24 -0.54 3.13 2.07 -1.04 -2.67 116.25 118.65 3kr7 h VAL 1016Ca 0.09 -0.87 0.05 0.00 0.82 0.00 0.00 66.70 66.79 3kr7 h VAL 1016Cb 0.04 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3kr7 h VAL 1016CO -0.07 0.31 0.27 -1.28 0.02 0.00 0.00 177.57 176.82 3kr7 h SER 1017N 0.62 0.38 0.33 0.57 0.87 -0.84 -1.39 113.55 114.09 3kr7 h SER 1017Ca 0.14 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3kr7 h SER 1017Cb 0.36 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3kr7 h SER 1017CO 0.01 0.26 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.14 3kr7 h GLU 1018N 0.52 0.00 -0.09 2.24 5.08 -1.12 -0.51 114.58 120.71 3kr7 h GLU 1018Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3kr7 h GLU 1018Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3kr7 h GLU 1018CO -0.18 0.09 0.00 0.39 -1.00 0.00 0.00 179.01 178.32 3kr7 n GLU 1019N -3.62 1.77 -3.11 2.33 1.02 -0.55 -4.49 120.64 113.98 3kr7 n GLU 1019Ca -0.02 -1.14 -0.18 0.00 -0.02 0.00 0.00 57.16 55.81 3kr7 n GLU 1019Cb 0.21 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 3kr7 n GLU 1019CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kr7 n ASN 1020N 0.36 0.14 -4.20 1.62 5.15 -0.66 -4.96 115.26 112.71 3kr7 n ASN 1020Ca 0.18 -3.06 -0.30 0.00 -0.60 0.00 0.00 54.58 50.80 3kr7 n ASN 1020Cb 0.37 -0.19 -0.09 0.00 -0.53 0.00 0.00 39.78 39.34 3kr7 n ASN 1020CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kr7 n HIS 1021N 0.55 -1.19 -3.77 1.20 1.44 -1.24 -1.40 115.22 110.81 3kr7 n HIS 1021Ca 0.21 0.55 -0.26 0.00 -2.01 0.00 0.00 57.72 56.21 3kr7 n HIS 1021Cb 0.64 -2.63 0.04 0.00 0.12 0.00 0.00 29.99 28.17 3kr7 n HIS 1021CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3kr7 n ASN 1022N -2.66 -4.30 -3.56 4.39 3.02 -0.29 -4.98 115.26 106.88 3kr7 n ASN 1022Ca -0.30 -0.72 -0.29 0.00 -0.03 0.00 0.00 54.58 53.24 3kr7 n ASN 1022Cb 0.65 -4.28 -0.15 0.00 -0.61 0.00 0.00 39.78 35.39 3kr7 n ASN 1022CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3kr7 s HIS 1023N -3.38 0.44 0.45 3.10 2.46 -0.49 -4.98 115.29 112.88 3kr7 s HIS 1023Ca 0.47 -0.91 0.21 0.00 0.47 0.00 0.00 55.06 55.30 3kr7 s HIS 1023Cb -0.23 -0.96 1.28 0.00 -0.13 0.00 0.00 32.58 32.54 3kr7 s HIS 1023CO 0.80 -0.81 2.05 0.00 -2.47 0.00 0.00 174.74 174.31 3kr7 h ALA 1024N 8.38 1.51 -5.85 1.58 0.00 -1.84 -3.41 119.26 119.63 3kr7 h ALA 1024Ca -0.19 -0.12 -0.36 0.00 0.00 0.00 0.00 54.91 54.24 3kr7 h ALA 1024Cb 1.02 -0.02 0.12 0.00 0.00 0.00 0.00 17.79 18.91 3kr7 h ALA 1024CO 0.43 0.17 -0.85 -1.71 0.00 0.00 0.00 179.25 177.29 3kr7 n ASN 1025N -3.99 -3.88 -4.72 0.00 5.15 -1.26 -1.16 115.26 105.41 3kr7 n ASN 1025Ca -0.02 -0.80 -0.41 0.00 -0.60 0.00 0.00 54.58 52.75 3kr7 n ASN 1025Cb 0.22 -4.44 -0.04 0.00 -0.53 0.00 0.00 39.78 35.00 3kr7 n ASN 1025CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3kr7 s GLU 1026N -5.39 4.51 0.29 1.20 2.12 -1.26 -1.86 118.70 118.30 3kr7 s GLU 1026Ca 0.24 1.17 0.07 0.00 0.36 0.00 0.00 54.97 56.82 3kr7 s GLU 1026Cb -0.05 -3.45 -0.06 0.00 0.26 0.00 0.00 34.13 30.83 3kr7 s GLU 1026CO 0.79 0.02 -0.08 1.03 -0.54 0.00 0.00 175.26 176.49 3kr7 s ARG 1027N 0.84 1.60 -0.23 4.30 1.81 0.29 -4.95 118.95 122.61 3kr7 s ARG 1027Ca 0.45 -1.81 -0.05 0.00 -1.72 0.00 0.00 55.73 52.60 3kr7 s ARG 1027Cb -0.20 -1.29 -0.02 0.00 -0.45 0.00 0.00 34.95 32.99 3kr7 s ARG 1027CO 0.24 0.08 0.01 -1.64 -0.68 0.00 0.00 175.30 173.30 3kr7 s MET 1028N -3.69 3.54 0.03 3.54 -1.94 -1.26 -0.57 119.30 118.95 3kr7 s MET 1028Ca 0.30 -0.54 -0.03 0.00 -1.71 0.00 0.00 55.69 53.70 3kr7 s MET 1028Cb 0.03 -3.15 -0.02 0.00 2.01 0.00 0.00 34.83 33.70 3kr7 s MET 1028CO 0.13 -0.14 0.05 -0.51 -0.01 0.00 0.00 175.02 174.53 3kr7 s LEU 1029N 1.42 2.00 0.41 -0.03 1.43 -0.24 -4.92 118.68 118.75 3kr7 s LEU 1029Ca 0.05 -0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 52.40 3kr7 s LEU 1029Cb -0.15 0.41 -0.10 0.00 0.03 0.00 0.00 46.19 46.38 3kr7 s LEU 1029CO 0.01 -0.45 0.91 -0.36 0.23 0.00 0.00 176.35 176.69 3kr7 s PHE 1030N -2.33 3.33 -0.05 0.29 0.08 -0.33 -0.04 117.98 118.93 3kr7 s PHE 1030Ca -0.08 1.52 -0.02 0.00 0.12 0.00 0.00 56.93 58.48 3kr7 s PHE 1030Cb -0.03 -2.78 0.04 0.00 -0.57 0.00 0.00 43.02 39.67 3kr7 s PHE 1030CO -0.04 -0.08 0.10 -1.58 -0.10 0.00 0.00 175.22 173.52 3kr7 s HIS 1031N -2.16 -0.09 -0.03 0.36 5.65 0.27 -0.92 115.29 118.37 3kr7 s HIS 1031Ca 0.60 0.35 0.07 0.00 0.25 0.00 0.00 55.06 56.34 3kr7 s HIS 1031Cb -0.09 -0.16 -0.02 0.00 -1.18 0.00 0.00 32.58 31.13 3kr7 s HIS 1031CO 0.15 -0.15 -0.25 0.20 -0.65 0.00 0.00 174.74 174.04 3kr7 s GLY 1032N 1.24 1.26 -0.25 1.59 0.00 -1.26 -1.31 107.32 108.59 3kr7 s GLY 1032Ca -0.08 -1.08 -0.27 0.00 0.00 0.00 0.00 44.72 43.29 3kr7 s GLY 1032CO -0.05 -0.83 1.17 -0.45 0.00 0.00 0.00 173.10 172.94 3kr7 s SER 1033N -0.46 -0.27 0.00 1.64 0.15 -1.24 -4.50 113.70 109.02 3kr7 s SER 1033Ca 0.06 0.44 0.09 0.00 0.70 0.00 0.00 55.95 57.23 3kr7 s SER 1033Cb -0.11 0.42 0.40 0.00 -1.71 0.00 0.00 66.02 65.02 3kr7 s SER 1033CO 0.00 -0.15 1.22 -2.65 1.20 0.00 0.00 173.24 172.86 3kr7 n PRO 1034N 1.42 0.06 -0.94 5.44 -0.02 -0.87 -3.45 135.00 136.63 3kr7 n PRO 1034Ca -0.10 0.28 -0.07 0.00 -2.02 0.00 0.00 63.50 61.59 3kr7 n PRO 1034Cb 0.57 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.80 3kr7 n PRO 1034CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kr7 n PHE 1035N -1.40 2.10 -0.28 6.00 3.72 -1.26 -4.66 117.46 121.68 3kr7 n PHE 1035Ca 0.03 -1.38 0.08 0.00 -0.05 0.00 0.00 57.45 56.13 3kr7 n PHE 1035Cb 0.09 -0.65 0.22 0.00 -0.94 0.00 0.00 39.48 38.20 3kr7 n PHE 1035CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3kr7 h VAL 1036N 1.86 0.64 0.00 -4.37 2.07 -1.95 -1.28 116.25 113.22 3kr7 h VAL 1036Ca 0.30 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.53 3kr7 h VAL 1036Cb 2.19 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3kr7 h VAL 1036CO 0.67 0.09 -0.56 0.78 0.02 0.00 0.00 177.57 178.58 3kr7 h ASN 1037N 0.50 0.00 0.07 0.57 2.35 -1.91 -1.49 115.58 115.67 3kr7 h ASN 1037Ca 0.46 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.04 3kr7 h ASN 1037Cb 0.73 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 3kr7 h ASN 1037CO -0.42 0.56 -0.60 0.00 -1.65 0.00 0.00 177.43 175.32 3kr7 h ALA 1038N 1.44 0.66 -0.31 -0.83 0.00 -1.78 -3.23 119.26 115.21 3kr7 h ALA 1038Ca -0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 3kr7 h ALA 1038Cb 1.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3kr7 h ALA 1038CO 0.07 0.70 0.19 0.82 0.00 0.00 0.00 179.25 181.04 3kr7 h ILE 1039N 0.39 1.10 0.00 0.00 2.04 -0.67 -0.93 117.51 119.44 3kr7 h ILE 1039Ca -0.00 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3kr7 h ILE 1039Cb 1.15 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3kr7 h ILE 1039CO 0.11 0.10 -0.21 0.16 0.00 0.00 0.00 178.15 178.31 3kr7 h ILE 1040N 0.41 0.65 0.12 -0.67 3.07 -1.36 0.15 117.51 119.87 3kr7 h ILE 1040Ca 0.11 -0.92 -0.36 0.00 1.55 0.00 0.00 64.86 65.24 3kr7 h ILE 1040Cb 0.00 1.60 -0.02 0.00 -0.27 0.00 0.00 36.82 38.13 3kr7 h ILE 1040CO -0.02 0.20 -1.99 1.41 -1.05 0.00 0.00 178.15 176.70 3kr7 n HIS 1041N -3.57 1.22 0.17 0.16 8.25 -1.15 -4.62 115.22 115.67 3kr7 n HIS 1041Ca -0.01 0.27 0.02 0.00 -0.26 0.00 0.00 57.72 57.74 3kr7 n HIS 1041Cb 0.35 -1.16 -0.00 0.00 1.12 0.00 0.00 29.99 30.30 3kr7 n HIS 1041CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kr7 n LYS 1042N -3.45 3.14 0.00 -0.41 5.02 -0.37 -4.74 118.16 117.35 3kr7 n LYS 1042Ca -0.31 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 3kr7 n LYS 1042Cb 1.05 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 3kr7 n LYS 1042CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kr7 n GLY 1043N 0.72 -0.28 3.74 0.72 0.00 0.52 -4.91 105.19 105.70 3kr7 n GLY 1043Ca 0.01 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3kr7 n GLY 1043CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kr7 s PHE 1044N -1.64 3.63 0.16 1.61 0.08 -1.26 -4.41 117.98 116.15 3kr7 s PHE 1044Ca 0.00 1.66 -0.01 0.00 0.12 0.00 0.00 56.93 58.70 3kr7 s PHE 1044Cb 0.00 -3.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 3kr7 s PHE 1044CO 0.00 -0.48 0.23 -0.40 -0.10 0.00 0.00 175.22 174.47 3kr7 n ASP 1045N 1.97 -0.64 0.18 1.36 5.68 -1.26 -4.33 116.55 119.51 3kr7 n ASP 1045Ca 0.01 -1.87 0.15 0.00 -0.50 0.00 0.00 54.79 52.58 3kr7 n ASP 1045Cb 0.46 1.20 0.75 0.00 -1.14 0.00 0.00 41.12 42.38 3kr7 n ASP 1045CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3kr7 h GLU 1046N 0.00 0.00 0.00 0.11 9.09 -1.96 -0.83 114.58 120.99 3kr7 h GLU 1046Ca -0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.28 3kr7 h GLU 1046Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 3kr7 h GLU 1046CO 0.17 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.77 3kr7 n ARG 1047N -4.17 0.08 -0.20 1.06 1.74 -1.26 -1.66 116.66 112.25 3kr7 n ARG 1047Ca 0.02 0.30 0.12 0.00 -0.77 0.00 0.00 57.85 57.52 3kr7 n ARG 1047Cb 0.30 -1.64 0.23 0.00 -1.02 0.00 0.00 32.46 30.33 3kr7 n ARG 1047CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3kr7 n HIS 1048N -1.78 0.52 -2.47 -1.55 8.25 -0.32 -4.96 115.22 112.91 3kr7 n HIS 1048Ca 0.03 -0.26 -0.38 0.00 -0.26 0.00 0.00 57.72 56.85 3kr7 n HIS 1048Cb 0.20 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 3kr7 n HIS 1048CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kr7 s ALA 1049N -1.48 3.24 -0.72 -1.41 0.00 -0.66 -4.66 121.76 116.07 3kr7 s ALA 1049Ca 0.39 0.84 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 3kr7 s ALA 1049Cb 0.23 -3.32 0.16 0.00 0.00 0.00 0.00 23.12 20.19 3kr7 s ALA 1049CO 0.32 -0.25 0.74 -0.47 0.00 0.00 0.00 175.76 176.10 3kr7 s TYR 1050N -1.40 3.36 0.35 0.00 6.04 0.82 -4.90 117.35 121.62 3kr7 s TYR 1050Ca 0.52 -1.48 0.03 0.00 0.04 0.00 0.00 57.07 56.18 3kr7 s TYR 1050Cb -0.28 -3.93 0.63 0.00 -1.04 0.00 0.00 41.96 37.34 3kr7 s TYR 1050CO 0.36 -1.15 1.98 0.82 -1.54 0.00 0.00 175.55 176.01 3kr7 h ILE 1051N 5.48 1.17 -0.59 3.14 1.08 -1.87 -2.75 117.51 123.16 3kr7 h ILE 1051Ca -0.08 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 3kr7 h ILE 1051Cb 1.06 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 3kr7 h ILE 1051CO 0.96 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 179.21 3kr7 n GLY 1052N -1.30 2.93 3.76 5.37 0.00 -1.26 -4.01 105.19 110.67 3kr7 n GLY 1052Ca 0.05 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 3kr7 n GLY 1052CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kr7 s GLY 1053N -0.97 1.67 0.53 -0.02 0.00 -1.04 -4.92 107.32 102.58 3kr7 s GLY 1053Ca 0.51 0.28 0.23 0.00 0.00 0.00 0.00 44.72 45.74 3kr7 s GLY 1053CO 0.21 0.64 2.04 -0.33 0.00 0.00 0.00 173.10 175.65 3kr7 h MET 1054N -1.23 0.00 -0.37 2.90 2.86 -1.95 -2.56 114.93 114.58 3kr7 h MET 1054Ca -0.44 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.06 3kr7 h MET 1054Cb 1.24 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.81 3kr7 h MET 1054CO 0.51 0.00 0.01 1.19 1.06 0.00 0.00 176.91 179.67 3kr7 n PHE 1055N -4.36 1.20 0.00 -0.22 3.72 -1.26 -5.06 117.46 111.47 3kr7 n PHE 1055Ca 0.06 -1.37 0.00 0.00 -0.05 0.00 0.00 57.45 56.09 3kr7 n PHE 1055Cb 0.47 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3kr7 n PHE 1055CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kr7 n GLY 1056N -0.91 0.99 3.57 1.37 0.00 -0.97 -4.83 105.19 104.41 3kr7 n GLY 1056Ca 0.31 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 3kr7 n GLY 1056CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr7 s ALA 1057N -2.00 2.30 0.00 4.61 0.00 -1.26 -4.31 121.76 121.10 3kr7 s ALA 1057Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.89 3kr7 s ALA 1057Cb 0.00 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.55 3kr7 s ALA 1057CO 0.00 -4.21 0.00 0.41 0.00 0.00 0.00 175.76 171.96 3kr7 n GLY 1058N 6.53 3.22 3.60 0.00 0.00 -1.23 -1.20 105.19 116.12 3kr7 n GLY 1058Ca 0.39 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 3kr7 n GLY 1058CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kr7 s ILE 1059N -2.40 5.25 -0.07 -0.61 1.01 0.12 -0.12 121.20 124.37 3kr7 s ILE 1059Ca 0.00 0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.91 3kr7 s ILE 1059Cb 0.00 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 3kr7 s ILE 1059CO 0.00 0.21 0.27 -0.31 0.00 0.00 0.00 174.94 175.11 3kr7 s TYR 1060N 1.86 3.66 0.09 3.97 4.12 -1.26 -1.78 117.35 128.00 3kr7 s TYR 1060Ca 0.11 0.75 0.03 0.00 0.02 0.00 0.00 57.07 57.97 3kr7 s TYR 1060Cb -0.16 -2.12 -0.04 0.00 -1.52 0.00 0.00 41.96 38.13 3kr7 s TYR 1060CO 0.10 0.68 -0.08 -0.06 0.02 0.00 0.00 175.55 176.21 3kr7 s PHE 1061N -1.00 0.93 0.03 2.71 0.08 -0.06 -4.74 117.98 115.93 3kr7 s PHE 1061Ca 0.19 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 56.54 3kr7 s PHE 1061Cb -0.14 -0.52 -0.02 0.00 -0.57 0.00 0.00 43.02 41.77 3kr7 s PHE 1061CO 0.08 -0.07 -0.07 0.00 -0.10 0.00 0.00 175.22 175.07 3kr7 s ALA 1062N -2.70 0.52 0.14 5.36 0.00 -0.09 -1.21 121.76 123.79 3kr7 s ALA 1062Ca 0.05 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3kr7 s ALA 1062Cb -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 23.12 23.02 3kr7 s ALA 1062CO -0.02 0.02 1.32 0.93 0.00 0.00 0.00 175.76 178.02 3kr7 h GLU 1063N 5.03 0.23 -5.91 0.00 5.08 -1.71 -0.87 114.58 116.43 3kr7 h GLU 1063Ca -0.33 -0.28 -0.60 0.00 -1.00 0.00 0.00 59.36 57.15 3kr7 h GLU 1063Cb 1.20 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 30.43 3kr7 h GLU 1063CO 0.44 1.02 0.48 -0.80 -1.00 0.00 0.00 179.01 179.15 3kr7 s ASN 1064N -6.97 6.64 0.34 1.42 -0.87 -1.26 -4.85 114.94 109.39 3kr7 s ASN 1064Ca -0.03 0.54 0.08 0.00 -1.57 0.00 0.00 52.86 51.88 3kr7 s ASN 1064Cb 0.09 -2.43 0.78 0.00 -0.02 0.00 0.00 41.25 39.67 3kr7 s ASN 1064CO 0.84 -0.75 1.86 0.77 -2.57 0.00 0.00 177.10 177.25 3kr7 h SER 1065N 8.37 0.70 0.61 -1.22 4.64 -1.78 -2.07 113.55 122.79 3kr7 h SER 1065Ca -0.24 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 3kr7 h SER 1065Cb 1.09 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3kr7 h SER 1065CO 0.94 0.35 -0.11 0.77 -0.87 0.00 0.00 176.83 177.91 3kr7 h SER 1066N 0.74 0.00 -0.14 4.97 4.64 -1.88 -0.12 113.55 121.76 3kr7 h SER 1066Ca 0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.75 3kr7 h SER 1066Cb 0.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3kr7 h SER 1066CO -0.22 0.11 -0.05 0.50 -0.87 0.00 0.00 176.83 176.30 3kr7 h LYS 1067N 0.00 0.27 -0.42 4.77 1.63 -1.70 -3.03 116.57 118.10 3kr7 h LYS 1067Ca -0.00 -0.11 -0.06 0.00 -0.85 0.00 0.00 60.65 59.62 3kr7 h LYS 1067Cb 0.44 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 3kr7 h LYS 1067CO 0.01 0.59 0.00 0.77 -3.45 0.00 0.00 179.45 177.38 3kr7 h SER 1068N -0.05 0.64 -0.44 4.20 0.02 -1.30 -2.07 113.55 114.55 3kr7 h SER 1068Ca 0.03 -0.14 0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3kr7 h SER 1068Cb 0.50 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3kr7 h SER 1068CO 0.02 0.71 0.30 -1.13 -1.14 0.00 0.00 176.83 175.59 3kr7 h ASN 1069N 0.64 0.23 0.16 3.07 -1.24 -1.02 -1.36 115.58 116.06 3kr7 h ASN 1069Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3kr7 h ASN 1069Cb 0.40 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.40 3kr7 h ASN 1069CO 0.01 0.14 0.00 1.56 -1.29 0.00 0.00 177.43 177.86 3kr7 h GLN 1070N 0.26 0.00 -0.01 6.67 4.20 -1.24 -3.05 115.11 121.93 3kr7 h GLN 1070Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3kr7 h GLN 1070Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3kr7 h GLN 1070CO -0.04 0.00 -0.41 0.66 -0.67 0.00 0.00 178.83 178.37 3kr7 n TYR 1071N -2.40 0.00 -0.28 2.96 4.01 -0.51 -0.97 117.16 119.97 3kr7 n TYR 1071Ca -0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.75 3kr7 n TYR 1071Cb 0.08 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.26 3kr7 n TYR 1071CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kr7 h VAL 1072N 1.05 0.95 -0.62 -0.72 2.07 -1.54 -2.07 116.25 115.37 3kr7 h VAL 1072Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3kr7 h VAL 1072Cb 0.43 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3kr7 h VAL 1072CO 0.00 0.15 0.00 -1.22 0.02 0.00 0.00 177.57 176.52 3kr7 n TYR 1073N -4.72 1.62 0.00 1.57 4.01 -1.26 -2.06 117.16 116.31 3kr7 n TYR 1073Ca 0.12 -0.62 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 3kr7 n TYR 1073Cb 0.23 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 3kr7 n TYR 1073CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kr7 n GLY 1074N 1.01 1.24 3.73 2.72 0.00 -0.78 -3.59 105.19 109.52 3kr7 n GLY 1074Ca 0.26 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 3kr7 n GLY 1074CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kr7 s ILE 1075N -1.21 2.13 -1.41 -0.61 -1.09 -1.26 -0.93 121.20 116.82 3kr7 s ILE 1075Ca 0.00 0.09 -0.00 0.00 -2.23 0.00 0.00 60.65 58.51 3kr7 s ILE 1075Cb 0.00 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 3kr7 s ILE 1075CO 0.00 0.01 0.01 0.61 -1.23 0.00 0.00 174.94 174.34 3kr7 n GLY 1076N 3.38 -0.50 3.09 6.18 0.00 -1.26 -1.30 105.19 114.79 3kr7 n GLY 1076Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3kr7 n GLY 1076CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr7 n GLY 1077N -0.91 0.87 7.00 -0.02 0.00 -0.10 -4.43 105.19 107.60 3kr7 n GLY 1077Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3kr7 n GLY 1077CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr7 n GLY 1078N -2.01 2.83 1.68 -0.02 0.00 -0.42 -1.35 105.19 105.90 3kr7 n GLY 1078Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.97 3kr7 n GLY 1078CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kr7 n THR 1079N 0.00 2.08 -3.56 2.61 -2.24 -1.26 -4.99 114.28 106.91 3kr7 n THR 1079Ca 0.00 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 3kr7 n THR 1079Cb 0.00 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3kr7 n THR 1079CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kr7 n GLY 1080N 0.99 -1.52 3.69 3.38 0.00 -0.45 -3.61 105.19 107.67 3kr7 n GLY 1080Ca 0.26 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 3kr7 n GLY 1080CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr7 h PRO 1082N 0.25 1.09 0.01 0.00 0.11 -1.93 -1.28 132.00 130.25 3kr7 h PRO 1082Ca -0.50 -0.10 -0.10 0.00 0.11 0.00 0.00 66.00 65.41 3kr7 h PRO 1082Cb 1.34 -0.23 0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kr7 h PRO 1082CO 0.51 0.77 -0.41 0.28 -0.21 0.00 0.00 178.00 178.95 3kr7 h VAL 1083N 1.10 1.52 -0.01 3.15 2.07 -1.99 -3.38 116.25 118.71 3kr7 h VAL 1083Ca 0.29 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3kr7 h VAL 1083Cb -0.02 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3kr7 h VAL 1083CO -0.05 0.58 -0.07 1.41 0.02 0.00 0.00 177.57 179.46 3kr7 n HIS 1084N -4.38 0.00 -4.00 1.57 8.25 -1.25 -5.00 115.22 110.41 3kr7 n HIS 1084Ca -0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.04 3kr7 n HIS 1084Cb 0.59 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.71 3kr7 n HIS 1084CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kr7 n LYS 1085N 0.28 -4.70 -4.04 -0.41 4.76 -0.48 -4.93 118.16 108.64 3kr7 n LYS 1085Ca 0.05 0.52 -0.33 0.00 -2.87 0.00 0.00 58.31 55.69 3kr7 n LYS 1085Cb 0.24 -5.32 -0.15 0.00 -1.84 0.00 0.00 35.03 27.96 3kr7 n LYS 1085CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3kr7 s ASP 1086N -3.39 4.29 0.56 4.39 -1.08 -1.24 -4.68 116.67 115.53 3kr7 s ASP 1086Ca 0.64 -1.19 0.32 0.00 -0.52 0.00 0.00 52.55 51.80 3kr7 s ASP 1086Cb -0.33 -1.58 1.67 0.00 -1.46 0.00 0.00 42.92 41.23 3kr7 s ASP 1086CO 0.86 -0.16 2.13 0.03 0.52 0.00 0.00 175.17 178.55 3kr7 h ARG 1087N 7.86 0.00 -0.72 4.34 3.08 -1.88 -2.27 114.38 124.79 3kr7 h ARG 1087Ca -0.25 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.38 3kr7 h ARG 1087Cb 1.07 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.88 3kr7 h ARG 1087CO 0.51 0.07 0.28 0.45 -1.07 0.00 0.00 179.97 180.21 3kr7 n SER 1088N -3.43 3.97 -4.69 7.04 2.88 -1.26 -3.07 113.62 115.05 3kr7 n SER 1088Ca -0.02 -3.73 -0.42 0.00 -1.33 0.00 0.00 58.87 53.37 3kr7 n SER 1088Cb 0.20 -0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 62.89 3kr7 n SER 1088CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kr7 n TYR 1090N 5.43 0.00 -0.11 0.00 4.01 -1.26 -4.56 117.16 120.66 3kr7 n TYR 1090Ca 0.16 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.69 3kr7 n TYR 1090Cb 0.39 -0.06 -0.08 0.00 -0.31 0.00 0.00 39.34 39.27 3kr7 n TYR 1090CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3kr7 n ILE 1091N -0.37 1.51 -2.30 -0.72 5.41 -1.26 -4.77 119.36 116.87 3kr7 n ILE 1091Ca 0.11 -0.14 -0.38 0.00 1.00 0.00 0.00 62.75 63.34 3kr7 n ILE 1091Cb 0.40 -2.06 -0.02 0.00 -0.71 0.00 0.00 39.64 37.26 3kr7 n ILE 1091CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kr7 s HIS 1093N -1.48 3.72 0.24 0.00 3.76 -1.26 -4.72 115.29 115.55 3kr7 s HIS 1093Ca 0.59 1.73 0.07 0.00 -0.15 0.00 0.00 55.06 57.31 3kr7 s HIS 1093Cb -0.29 -3.10 -0.04 0.00 1.11 0.00 0.00 32.58 30.26 3kr7 s HIS 1093CO 0.36 0.05 0.14 1.03 -0.85 0.00 0.00 174.74 175.47 3kr7 s ARG 1094N 0.58 2.77 -0.03 1.40 0.52 0.62 -4.94 118.95 119.86 3kr7 s ARG 1094Ca 0.50 -1.10 0.02 0.00 -0.52 0.00 0.00 55.73 54.63 3kr7 s ARG 1094Cb -0.22 -2.48 0.01 0.00 0.52 0.00 0.00 34.95 32.77 3kr7 s ARG 1094CO 0.29 0.41 -0.09 -0.65 0.02 0.00 0.00 175.30 175.28 3kr7 s GLN 1095N -3.65 1.02 0.25 3.54 -0.21 -1.26 -1.30 119.66 118.06 3kr7 s GLN 1095Ca 0.32 -0.29 0.11 0.00 0.02 0.00 0.00 55.36 55.53 3kr7 s GLN 1095Cb -0.08 -0.94 -0.05 0.00 1.00 0.00 0.00 33.01 32.94 3kr7 s GLN 1095CO 0.23 0.07 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.80 3kr7 s LEU 1096N 0.35 2.68 -0.10 2.90 1.43 -0.39 -4.65 118.68 120.90 3kr7 s LEU 1096Ca -0.06 -0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 52.11 3kr7 s LEU 1096Cb -0.10 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 3kr7 s LEU 1096CO 0.01 0.05 0.02 -0.76 0.23 0.00 0.00 176.35 175.90 3kr7 s LEU 1097N -3.34 3.65 -0.30 1.79 1.43 -0.43 -0.56 118.68 120.93 3kr7 s LEU 1097Ca 0.28 0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 3kr7 s LEU 1097Cb -0.06 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.34 3kr7 s LEU 1097CO 0.15 0.35 0.05 0.12 0.23 0.00 0.00 176.35 177.24 3kr7 s PHE 1098N -0.71 3.19 0.14 0.29 5.36 -0.41 -0.57 117.98 125.28 3kr7 s PHE 1098Ca 0.11 -1.42 0.09 0.00 -0.96 0.00 0.00 56.93 54.75 3kr7 s PHE 1098Cb -0.12 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.33 3kr7 s PHE 1098CO 0.02 -0.70 -0.16 0.00 -1.46 0.00 0.00 175.22 172.91 3kr7 s ARG 1100N -2.37 4.13 -0.07 0.00 3.52 0.02 -1.08 118.95 123.09 3kr7 s ARG 1100Ca 0.20 0.40 0.02 0.00 -0.13 0.00 0.00 55.73 56.22 3kr7 s ARG 1100Cb -0.10 -3.61 0.01 0.00 -1.56 0.00 0.00 34.95 29.69 3kr7 s ARG 1100CO 0.11 -0.27 -0.12 0.08 -0.81 0.00 0.00 175.30 174.29 3kr7 s VAL 1101N 2.05 1.18 -0.35 7.11 1.01 0.26 -0.16 120.40 131.50 3kr7 s VAL 1101Ca 0.23 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 3kr7 s VAL 1101Cb -0.16 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.14 3kr7 s VAL 1101CO 0.09 0.37 0.67 -0.89 0.00 0.00 0.00 175.10 175.34 3kr7 s THR 1102N 0.77 4.86 -0.14 3.92 2.01 0.19 -0.55 115.64 126.70 3kr7 s THR 1102Ca -0.12 0.67 0.21 0.00 0.31 0.00 0.00 61.69 62.75 3kr7 s THR 1102Cb -0.16 -4.10 -0.15 0.00 0.01 0.00 0.00 72.50 68.10 3kr7 s THR 1102CO 0.02 -0.33 0.75 0.18 -0.69 0.00 0.00 174.62 174.55 3kr7 n LEU 1103N 6.11 0.53 0.00 4.42 4.77 -0.78 -4.91 117.00 127.14 3kr7 n LEU 1103Ca -0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3kr7 n LEU 1103Cb 0.48 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3kr7 n LEU 1103CO 0.50 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3kr7 n GLY 1104N 1.30 1.92 3.62 -0.72 0.00 -0.31 -3.59 105.19 107.41 3kr7 n GLY 1104Ca -0.06 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 3kr7 n GLY 1104CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kr7 s LYS 1105N 0.00 3.79 -0.22 1.61 2.20 -1.26 -4.73 119.74 121.13 3kr7 s LYS 1105Ca 0.00 1.00 -0.09 0.00 -0.36 0.00 0.00 55.97 56.52 3kr7 s LYS 1105Cb 0.00 -3.91 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 3kr7 s LYS 1105CO 0.00 -1.28 0.12 0.45 -0.36 0.00 0.00 175.35 174.28 3kr7 s SER 1106N 2.95 5.92 -0.06 1.43 0.15 -1.25 -0.24 113.70 122.61 3kr7 s SER 1106Ca 0.55 0.10 -0.30 0.00 0.70 0.00 0.00 55.95 57.00 3kr7 s SER 1106Cb -0.13 -2.05 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 3kr7 s SER 1106CO 0.27 0.10 1.49 0.12 1.20 0.00 0.00 173.24 176.43 3kr7 s PHE 1107N 0.82 2.45 -0.40 3.44 5.36 -0.54 -4.75 117.98 124.35 3kr7 s PHE 1107Ca 0.06 0.56 -0.24 0.00 -0.96 0.00 0.00 56.93 56.35 3kr7 s PHE 1107Cb -0.13 -3.75 0.02 0.00 -0.34 0.00 0.00 43.02 38.81 3kr7 s PHE 1107CO 0.02 -2.97 0.85 -1.17 -1.46 0.00 0.00 175.22 170.49 3kr7 s LEU 1108N 3.36 4.08 -0.31 6.12 2.96 -1.26 -0.60 118.68 133.04 3kr7 s LEU 1108Ca 0.67 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.81 3kr7 s LEU 1108Cb -0.31 -3.12 0.04 0.00 0.50 0.00 0.00 46.19 43.31 3kr7 s LEU 1108CO 0.25 -0.87 0.04 -1.58 -1.32 0.00 0.00 176.35 172.87 3kr7 s GLN 1109N 3.39 2.59 0.36 1.98 2.00 0.56 -4.99 119.66 125.56 3kr7 s GLN 1109Ca 0.34 -1.18 -0.26 0.00 -2.00 0.00 0.00 55.36 52.27 3kr7 s GLN 1109Cb -0.12 -3.28 -0.09 0.00 0.80 0.00 0.00 33.01 30.32 3kr7 s GLN 1109CO 0.21 -0.60 1.06 -0.06 -0.50 0.00 0.00 175.29 175.39 3kr7 s PHE 1110N 1.33 3.37 0.19 1.67 0.08 -1.26 -1.52 117.98 121.85 3kr7 s PHE 1110Ca -0.03 1.67 0.11 0.00 0.12 0.00 0.00 56.93 58.80 3kr7 s PHE 1110Cb -0.19 -3.16 -0.04 0.00 -0.57 0.00 0.00 43.02 39.06 3kr7 s PHE 1110CO 0.00 -0.56 -0.23 -1.54 -0.10 0.00 0.00 175.22 172.79 3kr7 s SER 1111N -1.39 3.32 0.00 1.36 1.04 -0.30 -4.83 113.70 112.90 3kr7 s SER 1111Ca 0.54 -0.87 0.14 0.00 0.48 0.00 0.00 55.95 56.24 3kr7 s SER 1111Cb -0.24 -0.24 0.68 0.00 0.10 0.00 0.00 66.02 66.31 3kr7 s SER 1111CO 0.31 0.10 1.46 0.00 0.98 0.00 0.00 173.24 176.08 3kr7 n ALA 1112N 0.27 2.54 -1.08 5.32 0.00 -1.26 -1.20 120.51 125.10 3kr7 n ALA 1112Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3kr7 n ALA 1112Cb 0.56 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3kr7 n ALA 1112CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3kr7 n MET 1113N -0.31 0.00 -4.60 0.00 2.81 -1.26 -4.54 117.12 109.21 3kr7 n MET 1113Ca 0.11 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.66 3kr7 n MET 1113Cb 0.14 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.54 3kr7 n MET 1113CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 3kr7 s MET 1115N 0.02 2.77 0.44 0.03 -2.45 -1.26 -1.19 119.30 117.66 3kr7 s MET 1115Ca 0.00 -0.53 -0.07 0.00 -1.25 0.00 0.00 55.69 53.83 3kr7 s MET 1115Cb 0.00 -2.61 0.11 0.00 1.25 0.00 0.00 34.83 33.57 3kr7 s MET 1115CO 0.00 0.67 0.46 0.00 1.05 0.00 0.00 175.02 177.20 3kr7 n ALA 1116N 2.22 -1.02 -2.59 4.11 0.00 -0.34 -5.05 120.51 117.84 3kr7 n ALA 1116Ca -0.18 -0.65 -0.25 0.00 0.00 0.00 0.00 53.44 52.36 3kr7 n ALA 1116Cb 0.53 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 3kr7 n ALA 1116CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kr7 s HIS 1117N -1.92 2.63 0.72 0.00 3.76 -1.26 -4.88 115.29 114.35 3kr7 s HIS 1117Ca 0.28 -0.23 -0.16 0.00 -0.15 0.00 0.00 55.06 54.81 3kr7 s HIS 1117Cb -0.02 -1.23 0.03 0.00 1.11 0.00 0.00 32.58 32.47 3kr7 s HIS 1117CO 0.21 0.57 1.19 0.43 -0.85 0.00 0.00 174.74 176.29 3kr7 n SER 1118N -0.34 1.35 -4.65 1.40 7.64 -1.26 -4.95 113.62 112.81 3kr7 n SER 1118Ca -0.09 0.70 -0.42 0.00 1.01 0.00 0.00 58.87 60.08 3kr7 n SER 1118Cb 0.57 -1.51 0.01 0.00 -1.01 0.00 0.00 64.21 62.27 3kr7 n SER 1118CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3kr7 n PRO 1119N -2.41 1.61 -1.55 1.43 -0.02 -1.26 -4.85 135.00 127.95 3kr7 n PRO 1119Ca 0.14 0.57 -0.46 0.00 -2.02 0.00 0.00 63.50 61.74 3kr7 n PRO 1119Cb 0.49 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 3kr7 n PRO 1119CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kr7 n PRO 1120N 0.21 1.04 -0.58 0.52 -0.02 -1.26 -0.90 135.00 134.00 3kr7 n PRO 1120Ca 0.08 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3kr7 n PRO 1120Cb 0.38 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3kr7 n PRO 1120CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr7 n GLY 1121N 1.54 1.34 3.66 -1.23 0.00 -1.26 -5.01 105.19 104.22 3kr7 n GLY 1121Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3kr7 n GLY 1121CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kr7 s HIS 1122N -3.09 2.61 -0.40 1.61 3.76 -0.08 -4.88 115.29 114.82 3kr7 s HIS 1122Ca 0.00 -0.38 0.05 0.00 -0.15 0.00 0.00 55.06 54.57 3kr7 s HIS 1122Cb 0.00 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.21 3kr7 s HIS 1122CO 0.00 0.47 0.39 0.72 -0.85 0.00 0.00 174.74 175.47 3kr7 n HIS 1123N -0.99 0.00 -3.74 1.40 8.25 0.66 -4.64 115.22 116.17 3kr7 n HIS 1123Ca -0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.40 3kr7 n HIS 1123Cb 0.61 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.72 3kr7 n HIS 1123CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kr7 s SER 1124N -1.01 -0.11 -0.03 0.41 1.04 -1.23 -4.60 113.70 108.17 3kr7 s SER 1124Ca 0.04 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.16 3kr7 s SER 1124Cb 0.04 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 3kr7 s SER 1124CO 0.14 -0.72 -0.21 -0.69 0.98 0.00 0.00 173.24 172.73 3kr7 s VAL 1125N -2.82 1.73 -0.34 5.02 1.01 -0.10 -1.46 120.40 123.44 3kr7 s VAL 1125Ca 0.15 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 3kr7 s VAL 1125Cb 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3kr7 s VAL 1125CO 0.01 0.49 0.23 -0.89 0.00 0.00 0.00 175.10 174.94 3kr7 s THR 1126N -0.29 5.23 -0.55 3.92 2.01 0.23 -0.60 115.64 125.60 3kr7 s THR 1126Ca 0.02 -0.22 -0.19 0.00 0.31 0.00 0.00 61.69 61.61 3kr7 s THR 1126Cb -0.10 -3.68 0.09 0.00 0.01 0.00 0.00 72.50 68.81 3kr7 s THR 1126CO 0.01 0.00 0.64 -0.83 -0.69 0.00 0.00 174.62 173.75 3kr7 s GLY 1127N 1.71 1.81 -0.34 4.40 0.00 0.11 -0.32 107.32 114.69 3kr7 s GLY 1127Ca 0.06 -2.06 -0.05 0.00 0.00 0.00 0.00 44.72 42.68 3kr7 s GLY 1127CO 0.10 1.48 0.09 -1.60 0.00 0.00 0.00 173.10 173.17 3kr7 s ARG 1128N 2.53 2.50 0.22 2.90 3.52 -0.57 -1.23 118.95 128.82 3kr7 s ARG 1128Ca 0.12 -1.29 -0.32 0.00 -0.13 0.00 0.00 55.73 54.11 3kr7 s ARG 1128Cb -0.23 -3.40 -0.12 0.00 -1.56 0.00 0.00 34.95 29.63 3kr7 s ARG 1128CO 0.08 -0.71 1.64 -2.30 -0.81 0.00 0.00 175.30 173.20 3kr7 n PRO 1129N 4.74 2.56 -0.00 5.12 -0.02 -1.26 -1.15 135.00 144.99 3kr7 n PRO 1129Ca -0.12 0.92 0.05 0.00 -2.02 0.00 0.00 63.50 62.34 3kr7 n PRO 1129Cb 0.44 -2.72 -0.07 0.00 -0.02 0.00 0.00 33.50 31.13 3kr7 n PRO 1129CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kr7 n SER 1130N 3.28 0.89 -0.10 2.55 3.41 -0.34 -4.73 113.62 118.56 3kr7 n SER 1130Ca 0.14 -0.61 -0.17 0.00 -0.26 0.00 0.00 58.87 57.97 3kr7 n SER 1130Cb 0.34 1.10 -0.06 0.00 -0.26 0.00 0.00 64.21 65.33 3kr7 n SER 1130CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kr7 n VAL 1131N -1.39 1.50 -2.68 -3.33 0.31 -0.33 -4.78 118.33 107.64 3kr7 n VAL 1131Ca 0.01 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 3kr7 n VAL 1131Cb 0.20 -2.16 -0.03 0.00 -0.91 0.00 0.00 33.84 30.93 3kr7 n VAL 1131CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3kr7 s ASN 1132N -6.52 6.33 0.00 4.52 3.84 -0.83 -4.87 114.94 117.40 3kr7 s ASN 1132Ca -0.29 -0.25 0.26 0.00 0.21 0.00 0.00 52.86 52.79 3kr7 s ASN 1132Cb 0.07 -2.51 1.45 0.00 -0.55 0.00 0.00 41.25 39.72 3kr7 s ASN 1132CO 0.43 -1.48 1.91 0.61 -2.79 0.00 0.00 177.10 175.79 3kr7 n GLY 1133N 5.17 -0.99 0.62 1.21 0.00 -1.26 -2.17 105.19 107.77 3kr7 n GLY 1133Ca 0.04 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.02 3kr7 n GLY 1133CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kr7 n LEU 1134N -1.14 2.26 -4.73 0.99 4.77 -1.26 -4.97 117.00 112.91 3kr7 n LEU 1134Ca 0.16 -0.85 -0.40 0.00 -0.03 0.00 0.00 56.01 54.90 3kr7 n LEU 1134Cb 0.15 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3kr7 n LEU 1134CO 0.17 0.40 0.42 0.00 -1.33 0.00 0.00 177.39 177.05 3kr7 s ALA 1135N -2.14 3.36 0.76 -1.18 0.00 -0.92 -5.01 121.76 116.64 3kr7 s ALA 1135Ca 0.20 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 3kr7 s ALA 1135Cb 0.17 -2.95 0.12 0.00 0.00 0.00 0.00 23.12 20.46 3kr7 s ALA 1135CO 0.43 -0.01 1.06 -0.51 0.00 0.00 0.00 175.76 176.73 3kr7 s LEU 1136N 0.36 2.90 0.64 0.00 1.43 -1.26 -4.65 118.68 118.09 3kr7 s LEU 1136Ca 0.37 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.33 3kr7 s LEU 1136Cb -0.19 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 3kr7 s LEU 1136CO 0.20 -1.96 1.04 0.00 0.23 0.00 0.00 176.35 175.86 3kr7 s ALA 1137N -3.31 2.84 0.17 4.21 0.00 -1.26 -4.60 121.76 119.80 3kr7 s ALA 1137Ca 0.66 0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.82 3kr7 s ALA 1137Cb -0.06 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3kr7 s ALA 1137CO 0.46 -0.90 -0.12 -1.21 0.00 0.00 0.00 175.76 173.99 3kr7 s GLU 1138N -4.78 1.97 0.03 0.00 2.02 -0.36 -1.93 118.70 115.65 3kr7 s GLU 1138Ca 0.58 -1.27 0.04 0.00 0.02 0.00 0.00 54.97 54.35 3kr7 s GLU 1138Cb -0.13 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 31.95 3kr7 s GLU 1138CO 0.49 0.44 -0.13 0.71 0.02 0.00 0.00 175.26 176.79 3kr7 s TYR 1139N -1.59 1.12 -0.08 1.61 2.02 -0.35 0.05 117.35 120.13 3kr7 s TYR 1139Ca 0.23 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.64 3kr7 s TYR 1139Cb -0.09 -0.67 0.00 0.00 -0.40 0.00 0.00 41.96 40.80 3kr7 s TYR 1139CO 0.14 0.01 -0.20 0.08 -1.57 0.00 0.00 175.55 174.01 3kr7 s VAL 1140N -0.75 1.72 0.26 0.71 1.01 0.23 -0.88 120.40 122.70 3kr7 s VAL 1140Ca 0.01 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.27 3kr7 s VAL 1140Cb -0.07 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 3kr7 s VAL 1140CO 0.01 0.48 -0.12 0.27 0.00 0.00 0.00 175.10 175.75 3kr7 s ILE 1141N 0.37 2.92 0.00 2.22 -4.36 -0.74 -0.92 121.20 120.69 3kr7 s ILE 1141Ca -0.15 -2.13 0.00 0.00 -0.26 0.00 0.00 60.65 58.11 3kr7 s ILE 1141Cb -0.16 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.02 3kr7 s ILE 1141CO 0.06 -0.35 0.44 -1.22 0.24 0.00 0.00 174.94 174.12 3kr7 n TYR 1142N -0.62 0.00 -4.90 1.37 4.01 -1.26 -0.70 117.16 115.06 3kr7 n TYR 1142Ca -0.06 -0.02 -0.29 0.00 -0.16 0.00 0.00 57.90 57.37 3kr7 n TYR 1142Cb 0.59 -0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.45 3kr7 n TYR 1142CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3kr7 s ARG 1143N -0.03 2.50 0.54 -0.72 0.52 -1.26 -4.89 118.95 115.61 3kr7 s ARG 1143Ca 0.00 -0.68 0.28 0.00 -0.52 0.00 0.00 55.73 54.80 3kr7 s ARG 1143Cb 0.00 -1.95 1.57 0.00 0.52 0.00 0.00 34.95 35.09 3kr7 s ARG 1143CO 0.00 0.09 2.14 0.78 0.02 0.00 0.00 175.30 178.33 3kr7 h GLY 1144N 6.90 0.00 1.69 -3.53 0.00 -1.91 -1.93 103.07 104.28 3kr7 h GLY 1144Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3kr7 h GLY 1144CO 0.48 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.20 3kr7 n GLU 1145N -3.73 0.24 -0.20 4.80 4.71 -1.26 -2.80 120.64 122.40 3kr7 n GLU 1145Ca -0.02 0.08 0.05 0.00 -0.01 0.00 0.00 57.16 57.26 3kr7 n GLU 1145Cb 0.18 -1.50 0.15 0.00 -1.01 0.00 0.00 31.44 29.26 3kr7 n GLU 1145CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3kr7 n GLN 1146N -1.34 1.88 -3.98 3.49 6.02 -0.73 -4.09 117.38 118.63 3kr7 n GLN 1146Ca 0.09 -1.21 -0.13 0.00 -0.01 0.00 0.00 57.00 55.74 3kr7 n GLN 1146Cb 0.20 -1.33 -0.13 0.00 1.02 0.00 0.00 30.24 30.00 3kr7 n GLN 1146CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kr7 s ALA 1147N -1.59 0.19 -0.13 -1.58 0.00 -1.12 -0.64 121.76 116.89 3kr7 s ALA 1147Ca 0.22 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.95 3kr7 s ALA 1147Cb 0.12 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.27 3kr7 s ALA 1147CO 0.14 -0.00 -0.15 -0.47 0.00 0.00 0.00 175.76 175.28 3kr7 s TYR 1148N -0.44 2.10 -1.12 0.00 5.04 0.77 -4.76 117.35 118.94 3kr7 s TYR 1148Ca -0.03 -1.10 -0.21 0.00 -2.44 0.00 0.00 57.07 53.28 3kr7 s TYR 1148Cb -0.03 -1.53 0.03 0.00 0.35 0.00 0.00 41.96 40.77 3kr7 s TYR 1148CO -0.00 -0.59 1.68 -1.25 -1.34 0.00 0.00 175.55 174.05 3kr7 s PRO 1149N 1.26 3.44 0.10 4.97 0.04 -1.26 -0.80 135.00 142.76 3kr7 s PRO 1149Ca -0.00 -1.32 -0.18 0.00 0.04 0.00 0.00 61.00 59.54 3kr7 s PRO 1149Cb -0.14 -5.37 -0.06 0.00 0.04 0.00 0.00 34.50 28.98 3kr7 s PRO 1149CO -0.07 -2.62 1.60 0.93 0.04 0.00 0.00 177.00 176.89 3kr7 h GLU 1150N 9.21 0.44 -5.44 4.56 4.39 -1.82 -3.40 114.58 122.53 3kr7 h GLU 1150Ca 0.28 -0.10 -0.57 0.00 0.34 0.00 0.00 59.36 59.30 3kr7 h GLU 1150Cb 0.95 -0.06 -0.31 0.00 -0.10 0.00 0.00 28.75 29.23 3kr7 h GLU 1150CO 1.38 0.52 -0.84 0.71 -1.16 0.00 0.00 179.01 179.62 3kr7 s TYR 1151N -5.33 1.75 -0.31 4.33 2.02 -0.59 -1.13 117.35 118.09 3kr7 s TYR 1151Ca -0.13 -0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 55.99 3kr7 s TYR 1151Cb 0.08 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 3kr7 s TYR 1151CO 0.74 -0.14 0.18 -1.17 -1.57 0.00 0.00 175.55 173.58 3kr7 s LEU 1152N -0.06 4.18 -0.23 -1.29 2.96 0.77 -1.29 118.68 123.71 3kr7 s LEU 1152Ca -0.02 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.44 3kr7 s LEU 1152Cb -0.11 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3kr7 s LEU 1152CO 0.02 -0.18 0.00 -0.63 -1.32 0.00 0.00 176.35 174.24 3kr7 s ILE 1153N 1.67 3.76 -0.19 6.68 1.01 0.28 -1.02 121.20 133.38 3kr7 s ILE 1153Ca 0.06 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 3kr7 s ILE 1153Cb -0.17 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3kr7 s ILE 1153CO 0.08 0.39 0.07 -0.89 0.00 0.00 0.00 174.94 174.60 3kr7 s THR 1154N 1.50 4.90 0.19 2.92 2.01 0.16 -1.27 115.64 126.06 3kr7 s THR 1154Ca 0.06 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.87 3kr7 s THR 1154Cb -0.15 -3.21 0.04 0.00 0.01 0.00 0.00 72.50 69.19 3kr7 s THR 1154CO -0.00 0.46 0.55 -0.72 -0.69 0.00 0.00 174.62 174.21 3kr7 s TYR 1155N 0.38 -0.23 0.12 4.92 -0.85 -0.42 0.15 117.35 121.42 3kr7 s TYR 1155Ca 0.04 -0.09 0.11 0.00 -0.52 0.00 0.00 57.07 56.60 3kr7 s TYR 1155Cb -0.12 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 3kr7 s TYR 1155CO -0.00 -0.91 -0.26 -0.65 -1.52 0.00 0.00 175.55 172.20 3kr7 s GLN 1156N -3.84 1.40 0.50 -3.49 -0.21 -0.29 -0.27 119.66 113.45 3kr7 s GLN 1156Ca 0.07 -1.31 -0.18 0.00 0.02 0.00 0.00 55.36 53.95 3kr7 s GLN 1156Cb -0.01 -1.85 -0.08 0.00 1.00 0.00 0.00 33.01 32.07 3kr7 s GLN 1156CO -0.05 0.44 1.00 0.96 -2.12 0.00 0.00 175.29 175.52 3kr7 s ILE 1157N -1.05 4.24 -0.13 1.08 -4.36 -1.26 -0.98 121.20 118.74 3kr7 s ILE 1157Ca 0.13 1.22 -0.01 0.00 -0.26 0.00 0.00 60.65 61.73 3kr7 s ILE 1157Cb -0.10 -3.58 -0.02 0.00 1.25 0.00 0.00 42.46 40.01 3kr7 s ILE 1157CO 0.06 -0.47 -0.08 -0.04 0.24 0.00 0.00 174.94 174.65 3kr7 s MET 1158N -3.65 3.37 0.09 0.37 -1.94 -0.75 -4.68 119.30 112.10 3kr7 s MET 1158Ca 0.62 -0.58 -0.31 0.00 -1.71 0.00 0.00 55.69 53.71 3kr7 s MET 1158Cb -0.12 -2.75 -0.09 0.00 2.01 0.00 0.00 34.83 33.89 3kr7 s MET 1158CO 0.25 0.33 1.68 0.50 -0.01 0.00 0.00 175.02 177.76 3kr7 s ARG 1159N 0.09 4.19 0.62 2.03 3.52 -1.26 -4.30 118.95 123.83 3kr7 s ARG 1159Ca -0.03 2.38 -0.19 0.00 -0.13 0.00 0.00 55.73 57.77 3kr7 s ARG 1159Cb -0.14 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.66 3kr7 s ARG 1159CO 0.03 -0.75 1.29 -2.14 -0.81 0.00 0.00 175.30 172.92 3kr7 s PRO 1160N 2.54 2.75 0.00 5.12 0.02 -1.26 -5.02 135.00 139.16 3kr7 s PRO 1160Ca 0.75 2.04 0.30 0.00 0.02 0.00 0.00 61.00 64.11 3kr7 s PRO 1160Cb -0.41 -1.94 1.54 0.00 0.02 0.00 0.00 34.50 33.71 3kr7 s PRO 1160CO 0.33 -1.43 2.02 0.39 -0.33 0.00 0.00 177.00 177.97