#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhj s THR 953 N 0.00 4.95 -0.07 2.61 2.01 -1.26 -4.54 115.64 119.35 3mhj s THR 953 Ca 0.00 1.22 0.03 0.00 0.31 0.00 0.00 61.69 63.25 3mhj s THR 953 Cb 0.00 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3mhj s THR 953 CO 0.00 0.40 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.55 3mhj s ILE 954 N -0.06 2.95 -0.23 1.82 -1.09 -0.17 -4.98 121.20 119.44 3mhj s ILE 954 Ca 0.31 -0.75 -0.05 0.00 -2.23 0.00 0.00 60.65 57.93 3mhj s ILE 954 Cb -0.18 -2.17 -0.02 0.00 -1.58 0.00 0.00 42.46 38.51 3mhj s ILE 954 CO 0.16 0.57 0.01 -0.76 -1.23 0.00 0.00 174.94 173.69 3mhj s LEU 955 N -0.41 3.16 -0.30 2.97 1.43 -1.26 -0.60 118.68 123.68 3mhj s LEU 955 Ca 0.04 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.78 3mhj s LEU 955 Cb -0.12 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 3mhj s LEU 955 CO 0.02 -0.01 0.11 -0.63 0.23 0.00 0.00 176.35 176.06 3mhj s ILE 956 N 1.46 4.25 0.24 -0.59 -1.09 -0.08 -4.92 121.20 120.47 3mhj s ILE 956 Ca 0.05 -0.54 -0.31 0.00 -2.23 0.00 0.00 60.65 57.62 3mhj s ILE 956 Cb -0.15 -3.16 -0.12 0.00 -1.58 0.00 0.00 42.46 37.45 3mhj s ILE 956 CO 0.00 0.10 1.69 -1.81 -1.23 0.00 0.00 174.94 173.69 3mhj s ASP 957 N 1.56 6.36 0.04 3.58 1.11 -1.26 0.07 116.67 128.12 3mhj s ASP 957 Ca 0.04 2.91 -0.15 0.00 0.18 0.00 0.00 52.55 55.52 3mhj s ASP 957 Cb -0.17 -2.61 -0.06 0.00 1.07 0.00 0.00 42.92 41.15 3mhj s ASP 957 CO 0.04 -0.97 0.46 -0.76 1.18 0.00 0.00 175.17 175.12 3mhj s LEU 958 N 0.66 4.46 0.27 1.23 1.43 -0.38 -4.91 118.68 121.44 3mhj s LEU 958 Ca 0.71 1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 54.54 3mhj s LEU 958 Cb -0.49 -2.76 -0.09 0.00 0.03 0.00 0.00 46.19 42.87 3mhj s LEU 958 CO 0.37 0.28 1.12 -0.55 0.23 0.00 0.00 176.35 177.80 3mhj s SER 959 N -1.22 7.22 0.56 2.29 0.15 -1.26 -4.67 113.70 116.77 3mhj s SER 959 Ca 0.27 2.30 0.38 0.00 0.70 0.00 0.00 55.95 59.60 3mhj s SER 959 Cb -0.17 -2.63 2.06 0.00 -1.71 0.00 0.00 66.02 63.57 3mhj s SER 959 CO 0.16 -0.19 2.16 -0.65 1.20 0.00 0.00 173.24 175.91 3mhj h PRO 960 N 3.92 0.00 -0.00 5.44 0.11 -1.97 -1.60 132.00 137.89 3mhj h PRO 960 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3mhj h PRO 960 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mhj h PRO 960 CO 0.67 0.00 -0.05 -0.25 -0.21 0.00 0.00 178.00 178.17 3mhj n ASP 961 N -2.83 0.05 -4.75 -2.05 8.00 -1.26 -4.64 116.55 109.08 3mhj n ASP 961 Ca -0.03 0.38 -0.40 0.00 0.71 0.00 0.00 54.79 55.46 3mhj n ASP 961 Cb 0.06 -0.41 -0.05 0.00 -0.02 0.00 0.00 41.12 40.70 3mhj n ASP 961 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mhj s ASP 962 N -2.97 7.21 0.40 -2.24 -1.08 -0.60 -4.96 116.67 112.43 3mhj s ASP 962 Ca 0.15 1.45 0.11 0.00 -0.52 0.00 0.00 52.55 53.73 3mhj s ASP 962 Cb 0.19 -2.47 0.91 0.00 -1.46 0.00 0.00 42.92 40.10 3mhj s ASP 962 CO 0.54 0.02 1.97 0.11 0.52 0.00 0.00 175.17 178.33 3mhj h LYS 963 N 5.66 0.53 -0.03 4.34 1.57 -1.89 -2.34 116.57 124.41 3mhj h LYS 963 Ca -0.44 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3mhj h LYS 963 Cb 1.21 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3mhj h LYS 963 CO 0.71 0.35 0.02 1.49 -0.57 0.00 0.00 179.45 181.45 3mhj h GLU 964 N 0.55 0.04 -0.39 3.15 4.81 -1.93 0.39 114.58 121.20 3mhj h GLU 964 Ca 0.29 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.59 3mhj h GLU 964 Cb 0.44 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 3mhj h GLU 964 CO -0.09 0.06 0.01 0.35 -0.73 0.00 0.00 179.01 178.60 3mhj h PHE 965 N 0.01 -0.01 -0.78 0.92 3.57 -1.70 -2.23 116.94 116.73 3mhj h PHE 965 Ca 0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3mhj h PHE 965 Cb 0.02 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 3mhj h PHE 965 CO -0.07 -0.07 0.40 1.96 -2.23 0.00 0.00 178.31 178.30 3mhj h GLN 966 N 0.11 1.10 -0.38 1.11 4.20 -1.11 0.35 115.11 120.49 3mhj h GLN 966 Ca 0.19 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 3mhj h GLN 966 Cb 0.27 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3mhj h GLN 966 CO -0.32 0.83 -0.03 1.03 -0.67 0.00 0.00 178.83 179.67 3mhj h SER 967 N 1.10 0.69 -0.34 1.46 0.87 -0.64 -0.33 113.55 116.36 3mhj h SER 967 Ca 0.27 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.42 3mhj h SER 967 Cb 0.07 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3mhj h SER 967 CO -0.04 0.85 -0.13 0.58 -0.53 0.00 0.00 176.83 177.56 3mhj h VAL 968 N 0.51 1.28 -0.48 2.23 2.07 -0.95 -1.16 116.25 119.76 3mhj h VAL 968 Ca 0.10 -1.22 0.05 0.00 0.82 0.00 0.00 66.70 66.45 3mhj h VAL 968 Cb 0.51 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3mhj h VAL 968 CO 0.03 0.40 0.22 -0.08 0.02 0.00 0.00 177.57 178.15 3mhj h GLU 969 N 0.47 0.42 -0.55 1.57 4.81 -0.85 -0.64 114.58 119.81 3mhj h GLU 969 Ca 0.08 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3mhj h GLU 969 Cb 0.65 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3mhj h GLU 969 CO 0.04 0.28 0.18 1.49 -0.73 0.00 0.00 179.01 180.28 3mhj h GLU 970 N 0.43 0.81 -0.56 1.92 4.57 -0.77 0.11 114.58 121.10 3mhj h GLU 970 Ca 0.21 -0.14 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 3mhj h GLU 970 Cb 0.16 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3mhj h GLU 970 CO -0.17 0.70 -0.09 1.49 -1.18 0.00 0.00 179.01 179.75 3mhj h GLU 971 N 0.80 1.05 0.21 1.92 4.57 -0.67 0.16 114.58 122.62 3mhj h GLU 971 Ca 0.18 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 3mhj h GLU 971 Cb 0.21 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3mhj h GLU 971 CO -0.01 1.08 -0.10 1.98 -1.18 0.00 0.00 179.01 180.78 3mhj h MET 972 N 0.94 -0.27 -0.50 1.92 4.05 -0.67 -3.05 114.93 117.35 3mhj h MET 972 Ca 0.15 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.48 3mhj h MET 972 Cb 0.66 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 3mhj h MET 972 CO 0.05 -0.14 -0.13 1.96 0.23 0.00 0.00 176.91 178.88 3mhj h GLN 973 N -0.33 0.96 0.00 0.39 1.08 -0.68 -3.13 115.11 113.40 3mhj h GLN 973 Ca -0.03 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 3mhj h GLN 973 Cb 0.25 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3mhj h GLN 973 CO 0.05 1.04 0.00 -1.13 -0.95 0.00 0.00 178.83 177.83 3mhj n SER 974 N -4.19 0.56 -0.91 1.46 3.41 0.03 -2.98 113.62 110.99 3mhj n SER 974 Ca 0.00 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.28 3mhj n SER 974 Cb 0.40 -0.72 0.23 0.00 -0.26 0.00 0.00 64.21 63.86 3mhj n SER 974 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3mhj n THR 975 N -2.06 1.60 -2.09 6.66 -2.24 -1.15 -4.94 114.28 110.06 3mhj n THR 975 Ca 0.04 -1.34 -0.42 0.00 -2.27 0.00 0.00 64.05 60.07 3mhj n THR 975 Cb 0.32 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3mhj n THR 975 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3mhj s VAL 976 N -1.78 2.98 0.36 2.28 1.01 -1.16 -3.02 120.40 121.07 3mhj s VAL 976 Ca 0.35 0.74 0.03 0.00 0.00 0.00 0.00 61.98 63.11 3mhj s VAL 976 Cb 0.24 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3mhj s VAL 976 CO 0.15 0.08 0.10 0.00 0.00 0.00 0.00 175.10 175.44 3mhj s ARG 977 N 0.60 1.75 0.40 2.72 1.70 -1.26 -4.99 118.95 119.88 3mhj s ARG 977 Ca 0.64 -2.02 -0.23 0.00 -0.47 0.00 0.00 55.73 53.64 3mhj s ARG 977 Cb -0.40 -0.62 -0.09 0.00 -0.57 0.00 0.00 34.95 33.28 3mhj s ARG 977 CO 0.34 -0.36 1.02 -1.21 -1.08 0.00 0.00 175.30 174.01 3mhj s GLU 978 N -3.82 4.18 0.13 3.89 2.02 -1.26 -4.93 118.70 118.92 3mhj s GLU 978 Ca 0.30 1.42 0.09 0.00 0.02 0.00 0.00 54.97 56.80 3mhj s GLU 978 Cb 0.05 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.77 3mhj s GLU 978 CO 0.15 -0.11 -0.17 -1.01 0.02 0.00 0.00 175.26 174.14 3mhj s HIS 979 N -1.76 2.52 -0.91 1.61 3.76 -1.26 -5.00 115.29 114.26 3mhj s HIS 979 Ca 0.59 -0.27 0.24 0.00 -0.15 0.00 0.00 55.06 55.46 3mhj s HIS 979 Cb -0.19 -1.32 0.97 0.00 1.11 0.00 0.00 32.58 33.15 3mhj s HIS 979 CO 0.24 0.42 1.75 0.54 -0.85 0.00 0.00 174.74 176.83 3mhj n ARG 980 N 0.63 0.06 -0.02 1.40 1.74 -1.26 -1.89 116.66 117.32 3mhj n ARG 980 Ca -0.15 0.15 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 3mhj n ARG 980 Cb 0.53 -1.58 0.49 0.00 -1.02 0.00 0.00 32.46 30.88 3mhj n ARG 980 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3mhj n ASP 981 N -1.69 0.35 -0.42 0.55 5.68 -1.26 -4.91 116.55 114.85 3mhj n ASP 981 Ca 0.05 -1.51 -0.06 0.00 -0.50 0.00 0.00 54.79 52.78 3mhj n ASP 981 Cb 0.29 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.23 3mhj n ASP 981 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mhj n GLY 982 N 0.85 0.66 0.00 6.12 0.00 -0.79 -1.93 105.19 110.10 3mhj n GLY 982 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3mhj n GLY 982 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mhj n GLY 983 N -0.55 0.73 0.20 -0.02 0.00 -1.26 -4.80 105.19 99.50 3mhj n GLY 983 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 3mhj n GLY 983 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3mhj h HIS 984 N 0.00 -0.34 0.03 1.61 -0.00 -1.68 0.15 115.15 114.93 3mhj h HIS 984 Ca 0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 3mhj h HIS 984 Cb 0.00 0.20 0.01 0.00 -0.00 0.00 0.00 27.41 27.62 3mhj h HIS 984 CO 0.00 -0.21 -0.26 0.00 -0.00 0.00 0.00 177.93 177.46 3mhj h ALA 985 N 1.18 -0.01 0.00 5.26 0.00 -1.85 -3.40 119.26 120.43 3mhj h ALA 985 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3mhj h ALA 985 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3mhj h ALA 985 CO -0.38 0.10 -1.05 0.41 0.00 0.00 0.00 179.25 178.34 3mhj n GLY 986 N 1.44 -0.77 0.00 0.00 0.00 -1.21 -3.92 105.19 100.73 3mhj n GLY 986 Ca -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3mhj n GLY 986 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mhj n GLY 987 N 1.43 1.70 3.56 -0.02 0.00 0.54 -4.69 105.19 107.71 3mhj n GLY 987 Ca 0.02 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 3mhj n GLY 987 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mhj s ILE 988 N -2.41 5.16 -0.01 -0.61 1.01 -1.26 -4.48 121.20 118.61 3mhj s ILE 988 Ca 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 60.65 60.55 3mhj s ILE 988 Cb 0.00 -3.81 0.10 0.00 0.01 0.00 0.00 42.46 38.76 3mhj s ILE 988 CO 0.00 -0.05 0.84 0.72 0.00 0.00 0.00 174.94 176.45 3mhj s PHE 989 N 2.06 -0.41 -0.15 3.97 -0.12 -1.26 -4.48 117.98 117.59 3mhj s PHE 989 Ca 0.13 0.37 0.04 0.00 -0.05 0.00 0.00 56.93 57.42 3mhj s PHE 989 Cb -0.16 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 3mhj s PHE 989 CO 0.11 -0.57 0.16 0.09 -0.05 0.00 0.00 175.22 174.97 3mhj n ASN 990 N -0.02 1.23 -3.90 1.98 3.02 -1.26 -4.93 115.26 111.38 3mhj n ASN 990 Ca -0.11 -0.44 -0.09 0.00 -0.03 0.00 0.00 54.58 53.91 3mhj n ASN 990 Cb 0.61 1.06 -0.04 0.00 -0.61 0.00 0.00 39.78 40.80 3mhj n ASN 990 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mhj s ARG 991 N -1.66 1.58 0.19 3.52 1.70 -1.26 -4.88 118.95 118.15 3mhj s ARG 991 Ca 0.01 -1.08 0.08 0.00 -0.47 0.00 0.00 55.73 54.26 3mhj s ARG 991 Cb 0.03 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.89 3mhj s ARG 991 CO 0.18 -0.68 -0.00 0.71 -1.08 0.00 0.00 175.30 174.42 3mhj s TYR 992 N -3.96 2.81 -0.50 5.89 2.02 -1.26 -2.00 117.35 120.34 3mhj s TYR 992 Ca 0.16 -0.16 -0.16 0.00 -0.37 0.00 0.00 57.07 56.54 3mhj s TYR 992 Cb -0.02 -1.34 0.09 0.00 -0.40 0.00 0.00 41.96 40.29 3mhj s TYR 992 CO 0.06 0.53 0.46 1.21 -1.57 0.00 0.00 175.55 176.24 3mhj s ASN 993 N -3.09 6.17 -0.16 2.29 2.47 0.13 -4.88 114.94 117.88 3mhj s ASN 993 Ca 0.28 -1.42 -0.29 0.00 0.42 0.00 0.00 52.86 51.85 3mhj s ASN 993 Cb -0.09 -2.21 -0.00 0.00 -1.45 0.00 0.00 41.25 37.50 3mhj s ASN 993 CO 0.19 -0.75 1.00 -0.63 -3.72 0.00 0.00 177.10 173.19 3mhj s ILE 994 N 1.77 4.75 -0.18 -5.21 -1.09 -1.26 -1.18 121.20 118.80 3mhj s ILE 994 Ca 0.05 1.99 0.09 0.00 -2.23 0.00 0.00 60.65 60.55 3mhj s ILE 994 Cb -0.25 -4.29 -0.22 0.00 -1.58 0.00 0.00 42.46 36.11 3mhj s ILE 994 CO 0.06 -0.07 0.12 0.18 -1.23 0.00 0.00 174.94 174.01 3mhj n LEU 995 N 5.57 1.42 -3.63 2.97 4.77 0.49 -4.98 117.00 123.62 3mhj n LEU 995 Ca 0.10 0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 3mhj n LEU 995 Cb 0.48 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 3mhj n LEU 995 CO 0.52 0.66 0.49 -0.75 -1.33 0.00 0.00 177.39 176.98 3mhj s LYS 996 N -2.53 0.77 -0.13 3.23 2.20 -0.98 -5.00 119.74 117.30 3mhj s LYS 996 Ca -0.18 0.89 -0.00 0.00 -0.36 0.00 0.00 55.97 56.31 3mhj s LYS 996 Cb 0.07 0.38 0.03 0.00 -1.51 0.00 0.00 37.83 36.80 3mhj s LYS 996 CO 0.75 -0.10 -0.07 0.42 -0.36 0.00 0.00 175.35 175.99 3mhj s ILE 997 N 0.30 1.05 -0.09 5.43 1.01 -1.26 -0.88 121.20 126.75 3mhj s ILE 997 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3mhj s ILE 997 Cb -0.05 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 3mhj s ILE 997 CO -0.00 0.29 -0.14 -1.10 0.00 0.00 0.00 174.94 173.99 3mhj s GLN 998 N 1.69 2.97 0.06 2.79 -0.21 -0.12 -1.25 119.66 125.59 3mhj s GLN 998 Ca 0.04 -0.69 -0.30 0.00 0.02 0.00 0.00 55.36 54.42 3mhj s GLN 998 Cb -0.13 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.32 3mhj s GLN 998 CO -0.08 0.41 1.10 0.15 -2.12 0.00 0.00 175.29 174.75 3mhj s LYS 999 N -0.16 4.51 -0.28 2.91 -0.14 0.11 -0.75 119.74 125.94 3mhj s LYS 999 Ca -0.00 1.63 -0.14 0.00 -1.36 0.00 0.00 55.97 56.10 3mhj s LYS 999 Cb -0.13 -3.38 -0.04 0.00 -1.68 0.00 0.00 37.83 32.60 3mhj s LYS 999 CO 0.03 -0.13 0.31 0.08 -0.76 0.00 0.00 175.35 174.89 3mhj s VAL 1000N 0.83 5.22 -0.23 3.17 1.01 0.07 -0.91 120.40 129.56 3mhj s VAL 1000Ca 0.55 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.96 3mhj s VAL 1000Cb -0.26 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.51 3mhj s VAL 1000CO 0.30 0.18 -0.15 0.00 0.00 0.00 0.00 175.10 175.43 3mhj s ASN 1002N 1.18 1.31 0.14 0.00 3.84 -1.26 -1.00 114.94 119.15 3mhj s ASN 1002Ca -0.03 -0.14 -0.16 0.00 0.21 0.00 0.00 52.86 52.73 3mhj s ASN 1002Cb -0.17 0.34 -0.00 0.00 -0.55 0.00 0.00 41.25 40.87 3mhj s ASN 1002CO -0.08 -0.31 1.73 0.50 -2.79 0.00 0.00 177.10 176.14 3mhj h LYS 1003N 8.32 0.55 -0.36 0.43 3.64 -1.98 -0.06 116.57 127.11 3mhj h LYS 1003Ca -0.16 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 3mhj h LYS 1003Cb 1.15 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 3mhj h LYS 1003CO 0.26 0.47 0.20 -0.22 -2.27 0.00 0.00 179.45 177.89 3mhj h LYS 1004N 0.49 0.51 -0.18 1.90 3.64 -1.97 -0.23 116.57 120.73 3mhj h LYS 1004Ca 0.13 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 3mhj h LYS 1004Cb 0.09 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3mhj h LYS 1004CO -0.02 0.41 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.14 3mhj h LEU 1005N 0.46 0.40 -0.32 5.20 3.38 -1.92 -1.19 115.31 121.33 3mhj h LEU 1005Ca 0.13 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3mhj h LEU 1005Cb 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3mhj h LEU 1005CO -0.02 0.74 -0.03 -0.25 0.09 0.00 0.00 178.44 178.97 3mhj h TRP 1006N 0.33 0.65 -0.77 1.13 2.91 -0.71 -1.72 115.95 117.77 3mhj h TRP 1006Ca 0.04 -0.12 -0.03 0.00 1.13 0.00 0.00 58.89 59.90 3mhj h TRP 1006Cb 0.79 -0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 29.24 3mhj h TRP 1006CO 0.02 0.73 0.37 0.93 -1.03 0.00 0.00 178.44 179.47 3mhj h GLU 1007N 0.38 1.11 -0.46 2.65 5.08 -0.85 0.91 114.58 123.39 3mhj h GLU 1007Ca 0.09 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3mhj h GLU 1007Cb 0.49 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3mhj h GLU 1007CO 0.02 0.86 0.24 -0.09 -1.00 0.00 0.00 179.01 179.04 3mhj h ARG 1008N 1.09 0.46 0.01 2.33 2.43 -1.16 -1.52 114.38 118.02 3mhj h ARG 1008Ca 0.27 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3mhj h ARG 1008Cb 0.11 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3mhj h ARG 1008CO -0.03 0.31 -0.00 -0.92 -1.51 0.00 0.00 179.97 177.81 3mhj h TYR 1009N 0.48 -0.01 0.00 2.20 3.20 -0.69 -2.44 116.97 119.71 3mhj h TYR 1009Ca 0.20 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3mhj h TYR 1009Cb 0.09 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3mhj h TYR 1009CO -0.10 0.16 -0.26 1.79 -1.64 0.00 0.00 178.16 178.11 3mhj h THR 1010N -0.18 1.05 -0.18 1.81 1.35 -0.70 0.81 112.91 116.87 3mhj h THR 1010Ca -0.00 -0.93 -0.08 0.00 -0.55 0.00 0.00 66.41 64.85 3mhj h THR 1010Cb 0.17 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3mhj h THR 1010CO 0.00 0.25 -0.18 -0.74 -0.25 0.00 0.00 175.52 174.60 3mhj h HIS 1011N 0.00 0.54 -0.52 4.73 -0.00 -1.25 -1.65 115.15 117.01 3mhj h HIS 1011Ca -0.00 -0.16 -0.12 0.00 -0.00 0.00 0.00 60.37 60.08 3mhj h HIS 1011Cb 0.50 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 3mhj h HIS 1011CO 0.00 0.82 -0.15 -0.09 -0.00 0.00 0.00 177.93 178.50 3mhj h ARG 1012N 0.11 1.02 -0.67 5.26 9.65 -1.05 -2.51 114.38 126.19 3mhj h ARG 1012Ca 0.03 -0.40 0.06 0.00 -1.10 0.00 0.00 59.98 58.56 3mhj h ARG 1012Cb 0.73 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.20 3mhj h ARG 1012CO 0.05 1.09 0.38 -0.09 2.80 0.00 0.00 179.97 184.19 3mhj h ARG 1013N 0.89 0.68 -0.56 0.20 2.43 -0.77 -0.51 114.38 116.74 3mhj h ARG 1013Ca 0.13 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3mhj h ARG 1013Cb 0.73 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 3mhj h ARG 1013CO 0.06 0.45 0.36 -0.22 -1.51 0.00 0.00 179.97 179.11 3mhj h LYS 1014N 0.70 0.75 -0.11 0.20 3.64 -1.18 0.15 116.57 120.73 3mhj h LYS 1014Ca 0.30 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3mhj h LYS 1014Cb 0.16 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3mhj h LYS 1014CO -0.17 0.52 0.01 0.93 -2.27 0.00 0.00 179.45 178.46 3mhj h GLU 1015N 0.76 0.04 -0.45 1.90 5.08 -0.96 -1.40 114.58 119.56 3mhj h GLU 1015Ca 0.20 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3mhj h GLU 1015Cb -0.06 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3mhj h GLU 1015CO -0.04 0.03 0.01 0.28 -1.00 0.00 0.00 179.01 178.28 3mhj h VAL 1016N 0.04 1.26 -0.68 3.13 2.07 -0.88 -1.99 116.25 119.21 3mhj h VAL 1016Ca 0.05 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.55 3mhj h VAL 1016Cb 0.05 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3mhj h VAL 1016CO -0.08 0.36 0.45 -1.28 0.02 0.00 0.00 177.57 177.03 3mhj h SER 1017N 0.63 0.76 -0.46 0.57 0.87 -0.60 0.22 113.55 115.54 3mhj h SER 1017Ca 0.13 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 3mhj h SER 1017Cb 0.48 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3mhj h SER 1017CO 0.02 0.55 -0.20 -0.33 -0.53 0.00 0.00 176.83 176.34 3mhj h GLU 1018N 0.90 0.97 0.00 2.24 5.08 -1.15 0.47 114.58 123.10 3mhj h GLU 1018Ca 0.25 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3mhj h GLU 1018Cb -0.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3mhj h GLU 1018CO -0.06 1.08 -0.23 0.93 -1.00 0.00 0.00 179.01 179.72 3mhj h GLU 1019N 0.84 0.00 -0.83 2.33 5.08 -0.90 -2.92 114.58 118.19 3mhj h GLU 1019Ca 0.11 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 58.00 3mhj h GLU 1019Cb 0.77 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.76 3mhj h GLU 1019CO 0.06 0.23 0.43 -1.71 -1.00 0.00 0.00 179.01 177.03 3mhj n ASN 1020N -4.24 4.36 -3.10 1.42 5.15 0.02 -4.91 115.26 113.96 3mhj n ASN 1020Ca -0.02 -3.71 -0.18 0.00 -0.60 0.00 0.00 54.58 50.07 3mhj n ASN 1020Cb 0.29 -0.79 0.07 0.00 -0.53 0.00 0.00 39.78 38.82 3mhj n ASN 1020CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3mhj n HIS 1021N -1.07 -2.26 -2.99 1.20 8.25 -0.98 -3.11 115.22 114.27 3mhj n HIS 1021Ca 0.53 0.84 -0.12 0.00 -0.26 0.00 0.00 57.72 58.71 3mhj n HIS 1021Cb 1.26 -4.49 0.05 0.00 1.12 0.00 0.00 29.99 27.93 3mhj n HIS 1021CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3mhj n ASN 1022N -2.48 -2.90 -3.47 0.41 3.02 0.16 -5.02 115.26 104.99 3mhj n ASN 1022Ca -0.08 -0.37 -0.23 0.00 -0.03 0.00 0.00 54.58 53.87 3mhj n ASN 1022Cb 0.58 -3.37 -0.12 0.00 -0.61 0.00 0.00 39.78 36.26 3mhj n ASN 1022CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3mhj s HIS 1023N -3.22 -0.03 0.34 3.10 2.46 -1.01 -4.99 115.29 111.94 3mhj s HIS 1023Ca 0.12 -0.61 0.15 0.00 0.47 0.00 0.00 55.06 55.19 3mhj s HIS 1023Cb -0.05 -0.68 0.77 0.00 -0.13 0.00 0.00 32.58 32.48 3mhj s HIS 1023CO 0.46 -0.88 1.82 0.00 -2.47 0.00 0.00 174.74 173.67 3mhj h ALA 1024N 8.20 1.29 -5.84 1.58 0.00 -1.88 -3.41 119.26 119.20 3mhj h ALA 1024Ca -0.14 -0.33 -0.35 0.00 0.00 0.00 0.00 54.91 54.08 3mhj h ALA 1024Cb 1.04 -0.06 0.13 0.00 0.00 0.00 0.00 17.79 18.90 3mhj h ALA 1024CO 0.37 0.45 -0.86 -1.71 0.00 0.00 0.00 179.25 177.51 3mhj n ASN 1025N -3.94 -4.09 -4.74 0.00 5.15 -1.26 -1.21 115.26 105.17 3mhj n ASN 1025Ca -0.02 -0.80 -0.39 0.00 -0.60 0.00 0.00 54.58 52.77 3mhj n ASN 1025Cb 0.42 -4.45 -0.05 0.00 -0.53 0.00 0.00 39.78 35.17 3mhj n ASN 1025CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3mhj s GLU 1026N -5.35 4.40 0.30 1.20 2.12 -1.26 -1.62 118.70 118.49 3mhj s GLU 1026Ca 0.26 0.83 0.07 0.00 0.36 0.00 0.00 54.97 56.50 3mhj s GLU 1026Cb -0.06 -3.39 -0.06 0.00 0.26 0.00 0.00 34.13 30.88 3mhj s GLU 1026CO 0.79 0.23 -0.07 1.03 -0.54 0.00 0.00 175.26 176.70 3mhj s ARG 1027N 0.25 1.64 -0.23 4.30 1.81 0.20 -4.95 118.95 121.97 3mhj s ARG 1027Ca 0.35 -1.84 -0.05 0.00 -1.72 0.00 0.00 55.73 52.47 3mhj s ARG 1027Cb -0.18 -1.32 -0.02 0.00 -0.45 0.00 0.00 34.95 32.98 3mhj s ARG 1027CO 0.18 0.06 -0.00 -1.64 -0.68 0.00 0.00 175.30 173.22 3mhj s MET 1028N -3.69 3.48 0.05 3.54 -1.94 -1.26 -0.72 119.30 118.76 3mhj s MET 1028Ca 0.31 -0.57 0.02 0.00 -1.71 0.00 0.00 55.69 53.74 3mhj s MET 1028Cb 0.03 -3.12 -0.03 0.00 2.01 0.00 0.00 34.83 33.73 3mhj s MET 1028CO 0.13 -0.18 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.38 3mhj s LEU 1029N 1.49 2.29 0.40 -0.03 1.43 -0.33 -4.93 118.68 119.01 3mhj s LEU 1029Ca 0.06 -0.62 -0.20 0.00 -1.03 0.00 0.00 54.13 52.34 3mhj s LEU 1029Cb -0.15 -0.13 -0.11 0.00 0.03 0.00 0.00 46.19 45.84 3mhj s LEU 1029CO -0.01 -0.25 0.91 -0.36 0.23 0.00 0.00 176.35 176.87 3mhj s PHE 1030N -1.72 3.34 -0.05 0.29 0.08 0.03 -0.35 117.98 119.60 3mhj s PHE 1030Ca -0.07 1.54 -0.02 0.00 0.12 0.00 0.00 56.93 58.50 3mhj s PHE 1030Cb -0.08 -2.79 0.03 0.00 -0.57 0.00 0.00 43.02 39.61 3mhj s PHE 1030CO -0.01 -0.05 0.11 -1.58 -0.10 0.00 0.00 175.22 173.59 3mhj s HIS 1031N -2.11 -0.11 -0.04 0.36 5.65 -0.21 -0.81 115.29 118.02 3mhj s HIS 1031Ca 0.60 0.37 0.04 0.00 0.25 0.00 0.00 55.06 56.31 3mhj s HIS 1031Cb -0.10 -0.10 -0.00 0.00 -1.18 0.00 0.00 32.58 31.20 3mhj s HIS 1031CO 0.14 -0.13 -0.15 0.20 -0.65 0.00 0.00 174.74 174.15 3mhj s GLY 1032N 0.97 0.83 -0.00 1.59 0.00 -1.26 -0.93 107.32 108.52 3mhj s GLY 1032Ca -0.08 -0.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.75 3mhj s GLY 1032CO -0.04 -0.28 1.23 -1.35 0.00 0.00 0.00 173.10 172.66 3mhj s SER 1033N 0.09 -0.08 0.00 1.64 1.04 -1.24 -4.40 113.70 110.75 3mhj s SER 1033Ca -0.04 -0.16 0.15 0.00 0.48 0.00 0.00 55.95 56.37 3mhj s SER 1033Cb -0.11 0.21 0.72 0.00 0.10 0.00 0.00 66.02 66.94 3mhj s SER 1033CO 0.02 -0.38 1.43 -2.65 0.98 0.00 0.00 173.24 172.63 3mhj n PRO 1034N -0.46 0.15 -0.02 4.02 -0.02 -1.23 -2.78 135.00 134.67 3mhj n PRO 1034Ca -0.08 0.17 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 3mhj n PRO 1034Cb 0.62 -1.50 0.51 0.00 -0.02 0.00 0.00 33.50 33.11 3mhj n PRO 1034CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mhj n PHE 1035N -1.34 0.04 -0.32 6.00 3.72 -1.26 -4.54 117.46 119.75 3mhj n PHE 1035Ca 0.06 -0.02 0.01 0.00 -0.05 0.00 0.00 57.45 57.45 3mhj n PHE 1035Cb 0.13 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.86 3mhj n PHE 1035CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3mhj h VAL 1036N 2.27 1.16 -0.35 -4.37 2.07 -1.92 0.10 116.25 115.22 3mhj h VAL 1036Ca 0.00 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 3mhj h VAL 1036Cb 0.49 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3mhj h VAL 1036CO 0.00 0.21 -0.17 0.78 0.02 0.00 0.00 177.57 178.41 3mhj h ASN 1037N 1.17 0.63 -0.40 0.57 -0.26 -1.87 -2.35 115.58 113.07 3mhj h ASN 1037Ca 0.37 -0.20 -0.14 0.00 -0.56 0.00 0.00 56.30 55.76 3mhj h ASN 1037Cb 0.01 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 3mhj h ASN 1037CO -0.11 0.82 -0.31 0.00 -1.06 0.00 0.00 177.43 176.76 3mhj h ALA 1038N 1.24 0.58 -0.57 -0.83 0.00 -1.48 -3.33 119.26 114.88 3mhj h ALA 1038Ca 0.09 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3mhj h ALA 1038Cb 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3mhj h ALA 1038CO 0.04 0.64 0.29 0.82 0.00 0.00 0.00 179.25 181.04 3mhj h ILE 1039N 0.75 1.20 0.00 0.00 2.04 -0.42 0.02 117.51 121.10 3mhj h ILE 1039Ca 0.08 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3mhj h ILE 1039Cb 0.90 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3mhj h ILE 1039CO 0.08 0.22 -0.09 0.16 0.00 0.00 0.00 178.15 178.52 3mhj h ILE 1040N 0.77 0.68 0.05 -0.67 3.07 -1.54 0.21 117.51 120.08 3mhj h ILE 1040Ca 0.20 -0.38 -0.37 0.00 1.55 0.00 0.00 64.86 65.86 3mhj h ILE 1040Cb 0.09 1.23 -0.05 0.00 -0.27 0.00 0.00 36.82 37.82 3mhj h ILE 1040CO -0.03 0.09 -2.24 1.41 -1.05 0.00 0.00 178.15 176.33 3mhj n HIS 1041N -3.87 0.55 0.16 0.16 8.25 -0.84 -4.67 115.22 114.96 3mhj n HIS 1041Ca -0.02 0.12 0.02 0.00 -0.26 0.00 0.00 57.72 57.58 3mhj n HIS 1041Cb 0.19 -1.07 -0.01 0.00 1.12 0.00 0.00 29.99 30.21 3mhj n HIS 1041CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3mhj n LYS 1042N -3.29 4.78 0.00 -0.41 5.02 -0.06 -4.74 118.16 119.45 3mhj n LYS 1042Ca -0.38 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 3mhj n LYS 1042Cb 1.03 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 3mhj n LYS 1042CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mhj n GLY 1043N 0.93 0.02 3.77 0.72 0.00 0.72 -4.88 105.19 106.46 3mhj n GLY 1043Ca 0.01 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 3mhj n GLY 1043CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mhj s PHE 1044N -1.88 3.14 -0.15 1.61 0.08 -1.26 -4.47 117.98 115.05 3mhj s PHE 1044Ca 0.00 1.52 -0.01 0.00 0.12 0.00 0.00 56.93 58.56 3mhj s PHE 1044Cb 0.00 -3.51 0.04 0.00 -0.57 0.00 0.00 43.02 38.97 3mhj s PHE 1044CO 0.00 -1.45 -0.06 0.34 -0.10 0.00 0.00 175.22 173.95 3mhj s ASP 1045N -0.78 2.57 0.00 1.36 2.15 -1.26 -4.36 116.67 116.35 3mhj s ASP 1045Ca 0.51 -0.53 0.29 0.00 0.43 0.00 0.00 52.55 53.26 3mhj s ASP 1045Cb -0.35 -0.86 1.46 0.00 -0.30 0.00 0.00 42.92 42.87 3mhj s ASP 1045CO 0.46 -0.17 2.01 -1.84 -0.17 0.00 0.00 175.17 175.46 3mhj n GLU 1046N 4.91 0.40 0.31 4.34 0.00 -1.26 -2.61 120.64 126.73 3mhj n GLU 1046Ca -0.12 0.01 0.21 0.00 0.00 0.00 0.00 57.16 57.26 3mhj n GLU 1046Cb 0.49 -1.50 1.05 0.00 0.00 0.00 0.00 31.44 31.48 3mhj n GLU 1046CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3mhj h ARG 1047N 0.00 0.00 -2.38 3.44 3.08 -1.97 0.88 114.38 117.43 3mhj h ARG 1047Ca 0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.33 3mhj h ARG 1047Cb 0.28 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.00 3mhj h ARG 1047CO 0.00 0.00 0.34 -2.39 -1.07 0.00 0.00 179.97 176.85 3mhj n HIS 1048N -3.01 3.13 -0.05 3.04 1.44 -1.07 -4.41 115.22 114.29 3mhj n HIS 1048Ca -0.02 -3.15 -0.01 0.00 -2.01 0.00 0.00 57.72 52.53 3mhj n HIS 1048Cb 0.12 -0.94 -0.12 0.00 0.12 0.00 0.00 29.99 29.17 3mhj n HIS 1048CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3mhj n ALA 1049N 0.26 2.03 0.06 1.59 0.00 0.30 -4.66 120.51 120.10 3mhj n ALA 1049Ca 0.37 -0.72 0.17 0.00 0.00 0.00 0.00 53.44 53.25 3mhj n ALA 1049Cb 0.33 -0.26 0.67 0.00 0.00 0.00 0.00 19.45 20.19 3mhj n ALA 1049CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3mhj h TYR 1050N 0.00 0.01 -0.17 0.00 -0.00 -1.77 0.14 116.97 115.18 3mhj h TYR 1050Ca -0.23 0.00 0.04 0.00 -0.00 0.00 0.00 58.73 58.53 3mhj h TYR 1050Cb 1.41 -0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 38.11 3mhj h TYR 1050CO 0.00 0.01 -0.05 0.82 -0.00 0.00 0.00 178.16 178.93 3mhj h ILE 1051N 0.01 0.81 -0.27 -0.90 2.04 -1.89 -3.46 117.51 113.85 3mhj h ILE 1051Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.05 3mhj h ILE 1051Cb 0.76 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3mhj h ILE 1051CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 3mhj n GLY 1052N -1.19 0.93 0.00 5.37 0.00 -0.09 -4.91 105.19 105.29 3mhj n GLY 1052Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3mhj n GLY 1052CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mhj n GLY 1053N 0.00 -0.80 0.17 -0.02 0.00 -1.05 -4.92 105.19 98.57 3mhj n GLY 1053Ca 0.00 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3mhj n GLY 1053CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3mhj h MET 1054N 0.00 0.00 -0.15 1.61 4.05 -2.01 -2.16 114.93 116.27 3mhj h MET 1054Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3mhj h MET 1054Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3mhj h MET 1054CO 0.00 0.00 0.00 1.19 0.23 0.00 0.00 176.91 178.33 3mhj n PHE 1055N -2.45 0.40 0.00 1.39 3.72 -1.26 -5.09 117.46 114.17 3mhj n PHE 1055Ca 0.01 -0.79 0.00 0.00 -0.05 0.00 0.00 57.45 56.62 3mhj n PHE 1055Cb 0.22 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3mhj n PHE 1055CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mhj n GLY 1056N -0.64 0.49 3.64 1.37 0.00 -0.81 -4.95 105.19 104.29 3mhj n GLY 1056Ca 0.14 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 3mhj n GLY 1056CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhj n ALA 1057N 1.07 0.56 0.00 4.61 0.00 -1.26 -2.54 120.51 122.96 3mhj n ALA 1057Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3mhj n ALA 1057Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.30 3mhj n ALA 1057CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mhj n GLY 1058N 1.07 -0.81 3.47 0.00 0.00 0.31 -4.57 105.19 104.66 3mhj n GLY 1058Ca 0.09 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 3mhj n GLY 1058CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mhj s ILE 1059N -1.72 4.06 -0.05 -0.61 1.01 0.57 -4.25 121.20 120.21 3mhj s ILE 1059Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 3mhj s ILE 1059Cb 0.00 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3mhj s ILE 1059CO 0.00 0.43 0.12 -0.31 0.00 0.00 0.00 174.94 175.18 3mhj s TYR 1060N 0.91 3.44 0.06 3.97 1.51 -1.26 -1.26 117.35 124.72 3mhj s TYR 1060Ca 0.01 0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.44 3mhj s TYR 1060Cb -0.14 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 3mhj s TYR 1060CO 0.02 0.63 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.95 3mhj s PHE 1061N -1.14 0.75 0.02 2.71 0.08 0.36 -4.77 117.98 115.98 3mhj s PHE 1061Ca 0.20 -0.66 0.05 0.00 0.12 0.00 0.00 56.93 56.64 3mhj s PHE 1061Cb -0.12 -0.44 -0.02 0.00 -0.57 0.00 0.00 43.02 41.87 3mhj s PHE 1061CO 0.11 -0.11 -0.14 0.00 -0.10 0.00 0.00 175.22 174.97 3mhj s ALA 1062N -2.22 1.17 0.23 5.36 0.00 0.01 -0.58 121.76 125.72 3mhj s ALA 1062Ca -0.02 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.25 3mhj s ALA 1062Cb -0.04 -0.23 0.21 0.00 0.00 0.00 0.00 23.12 23.06 3mhj s ALA 1062CO -0.02 0.25 1.54 0.93 0.00 0.00 0.00 175.76 178.46 3mhj h GLU 1063N 5.32 0.26 -5.95 0.00 5.08 -1.65 0.12 114.58 117.76 3mhj h GLU 1063Ca -0.36 -0.19 -0.60 0.00 -1.00 0.00 0.00 59.36 57.21 3mhj h GLU 1063Cb 1.17 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.36 3mhj h GLU 1063CO 0.46 0.80 0.53 -0.80 -1.00 0.00 0.00 179.01 179.00 3mhj s ASN 1064N -6.90 6.70 0.38 1.42 -0.87 -1.26 -4.84 114.94 109.57 3mhj s ASN 1064Ca -0.04 0.66 0.14 0.00 -1.57 0.00 0.00 52.86 52.05 3mhj s ASN 1064Cb 0.12 -2.44 0.98 0.00 -0.02 0.00 0.00 41.25 39.88 3mhj s ASN 1064CO 0.80 -0.74 1.84 0.77 -2.57 0.00 0.00 177.10 177.20 3mhj h SER 1065N 8.26 0.52 1.04 -1.22 4.64 -1.81 -1.41 113.55 123.57 3mhj h SER 1065Ca -0.23 0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 3mhj h SER 1065Cb 1.08 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3mhj h SER 1065CO 0.94 0.21 -0.16 0.77 -0.87 0.00 0.00 176.83 177.71 3mhj h SER 1066N 0.52 0.00 -0.14 4.97 4.64 -1.88 -0.32 113.55 121.33 3mhj h SER 1066Ca 0.50 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.76 3mhj h SER 1066Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3mhj h SER 1066CO -0.23 0.16 -0.13 0.50 -0.87 0.00 0.00 176.83 176.27 3mhj h LYS 1067N 0.00 0.34 -0.42 4.77 1.63 -1.57 -2.97 116.57 118.35 3mhj h LYS 1067Ca -0.00 -0.17 -0.04 0.00 -0.85 0.00 0.00 60.65 59.59 3mhj h LYS 1067Cb 0.73 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.34 3mhj h LYS 1067CO 0.02 0.72 0.12 0.77 -3.45 0.00 0.00 179.45 177.62 3mhj h SER 1068N -0.03 0.57 -0.58 4.20 0.02 -1.34 -2.13 113.55 114.27 3mhj h SER 1068Ca 0.02 -0.08 0.11 0.00 -0.84 0.00 0.00 61.79 61.00 3mhj h SER 1068Cb 0.65 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3mhj h SER 1068CO 0.03 0.56 0.39 -1.13 -1.14 0.00 0.00 176.83 175.55 3mhj h ASN 1069N 0.61 0.30 0.00 3.07 -1.24 -0.98 -0.91 115.58 116.43 3mhj h ASN 1069Ca 0.14 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.16 3mhj h ASN 1069Cb 0.21 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.21 3mhj h ASN 1069CO -0.01 0.18 0.01 1.56 -1.29 0.00 0.00 177.43 177.88 3mhj h GLN 1070N 0.33 0.00 -0.01 6.67 4.20 -1.22 -3.02 115.11 122.06 3mhj h GLN 1070Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3mhj h GLN 1070Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3mhj h GLN 1070CO -0.07 0.00 -0.10 0.66 -0.67 0.00 0.00 178.83 178.65 3mhj n TYR 1071N -2.69 0.00 -0.36 2.96 4.01 -0.35 -2.04 117.16 118.69 3mhj n TYR 1071Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.75 3mhj n TYR 1071Cb 0.06 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.29 3mhj n TYR 1071CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3mhj h VAL 1072N 1.88 1.06 -0.61 -0.72 2.07 -1.54 -1.33 116.25 117.06 3mhj h VAL 1072Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3mhj h VAL 1072Cb 0.45 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3mhj h VAL 1072CO 0.00 0.21 0.00 -1.22 0.02 0.00 0.00 177.57 176.58 3mhj n TYR 1073N -4.52 1.58 0.00 1.57 4.01 -1.26 -3.50 117.16 115.04 3mhj n TYR 1073Ca 0.16 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 3mhj n TYR 1073Cb 0.21 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 3mhj n TYR 1073CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mhj n GLY 1074N 0.99 1.23 3.68 2.72 0.00 -0.50 -3.33 105.19 109.98 3mhj n GLY 1074Ca 0.25 -2.16 -0.45 0.00 0.00 0.00 0.00 46.02 43.66 3mhj n GLY 1074CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mhj n ILE 1075N -0.06 0.20 -1.41 -0.61 5.41 -1.26 -1.58 119.36 120.04 3mhj n ILE 1075Ca 0.00 -0.05 -0.14 0.00 1.00 0.00 0.00 62.75 63.56 3mhj n ILE 1075Cb 0.00 -1.59 -0.06 0.00 -0.71 0.00 0.00 39.64 37.27 3mhj n ILE 1075CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mhj n GLY 1076N 3.21 1.44 2.45 7.39 0.00 -1.26 -1.76 105.19 116.66 3mhj n GLY 1076Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3mhj n GLY 1076CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mhj n GLY 1077N -0.98 0.44 7.00 -0.02 0.00 -0.62 -4.35 105.19 106.67 3mhj n GLY 1077Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3mhj n GLY 1077CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mhj n GLY 1078N -1.98 2.97 1.26 -0.02 0.00 -0.72 -0.90 105.19 105.80 3mhj n GLY 1078Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3mhj n GLY 1078CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mhj n THR 1079N 0.00 2.09 -3.98 2.61 -2.24 -1.26 -5.01 114.28 106.49 3mhj n THR 1079Ca 0.00 -1.47 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 3mhj n THR 1079Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3mhj n THR 1079CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mhj n GLY 1080N 0.31 -1.01 3.74 3.38 0.00 -0.07 -3.53 105.19 108.01 3mhj n GLY 1080Ca 0.23 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 3mhj n GLY 1080CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhj h PRO 1082N 0.50 1.19 -0.06 0.00 0.11 -1.94 0.28 132.00 132.08 3mhj h PRO 1082Ca -0.50 -0.18 -0.18 0.00 0.11 0.00 0.00 66.00 65.24 3mhj h PRO 1082Cb 1.30 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 32.21 3mhj h PRO 1082CO 0.53 0.93 -0.68 0.28 -0.21 0.00 0.00 178.00 178.85 3mhj h VAL 1083N 1.17 1.35 -0.00 3.15 2.07 -1.99 -3.37 116.25 118.63 3mhj h VAL 1083Ca 0.28 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.79 3mhj h VAL 1083Cb 0.14 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3mhj h VAL 1083CO -0.03 0.61 -0.18 1.41 0.02 0.00 0.00 177.57 179.39 3mhj n HIS 1084N -4.11 0.00 -3.93 1.57 8.25 -1.24 -5.02 115.22 110.75 3mhj n HIS 1084Ca -0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.09 3mhj n HIS 1084Cb 0.70 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.82 3mhj n HIS 1084CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3mhj n LYS 1085N -0.45 -4.30 -3.96 -0.41 5.02 0.09 -4.94 118.16 109.21 3mhj n LYS 1085Ca 0.03 0.51 -0.30 0.00 -2.02 0.00 0.00 58.31 56.52 3mhj n LYS 1085Cb 0.15 -5.06 -0.16 0.00 -0.02 0.00 0.00 35.03 29.94 3mhj n LYS 1085CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3mhj s ASP 1086N -3.88 3.74 0.53 4.39 -1.08 -1.23 -4.68 116.67 114.45 3mhj s ASP 1086Ca 0.32 -1.10 0.29 0.00 -0.52 0.00 0.00 52.55 51.54 3mhj s ASP 1086Cb -0.16 -1.21 1.47 0.00 -1.46 0.00 0.00 42.92 41.56 3mhj s ASP 1086CO 0.86 -0.21 2.07 0.03 0.52 0.00 0.00 175.17 178.44 3mhj h ARG 1087N 7.95 0.00 -0.77 4.34 3.08 -1.88 -2.45 114.38 124.66 3mhj h ARG 1087Ca -0.21 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.47 3mhj h ARG 1087Cb 1.08 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.90 3mhj h ARG 1087CO 0.43 0.11 0.39 0.45 -1.07 0.00 0.00 179.97 180.27 3mhj n SER 1088N -3.53 3.49 -4.70 7.04 2.88 -1.26 -3.31 113.62 114.22 3mhj n SER 1088Ca -0.02 -3.61 -0.42 0.00 -1.33 0.00 0.00 58.87 53.50 3mhj n SER 1088Cb 0.25 -0.76 -0.03 0.00 -0.75 0.00 0.00 64.21 62.91 3mhj n SER 1088CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mhj n TYR 1090N 4.99 0.01 -0.13 0.00 4.01 -1.26 -4.53 117.16 120.25 3mhj n TYR 1090Ca 0.17 -0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.64 3mhj n TYR 1090Cb 0.37 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.31 3mhj n TYR 1090CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3mhj n ILE 1091N 1.35 1.40 -2.51 -0.72 5.41 -1.26 -4.82 119.36 118.20 3mhj n ILE 1091Ca 0.14 -0.38 -0.38 0.00 1.00 0.00 0.00 62.75 63.13 3mhj n ILE 1091Cb 0.60 -1.79 -0.04 0.00 -0.71 0.00 0.00 39.64 37.70 3mhj n ILE 1091CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mhj s HIS 1093N -1.44 3.78 0.25 0.00 3.76 -1.26 -4.72 115.29 115.66 3mhj s HIS 1093Ca 0.52 1.77 0.09 0.00 -0.15 0.00 0.00 55.06 57.29 3mhj s HIS 1093Cb -0.26 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.27 3mhj s HIS 1093CO 0.33 -0.01 0.02 1.03 -0.85 0.00 0.00 174.74 175.26 3mhj s ARG 1094N -0.49 2.39 -0.02 1.40 0.52 0.70 -4.94 118.95 118.50 3mhj s ARG 1094Ca 0.46 -1.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.39 3mhj s ARG 1094Cb -0.26 -2.25 -0.00 0.00 0.52 0.00 0.00 34.95 32.96 3mhj s ARG 1094CO 0.32 0.39 -0.11 -0.65 0.02 0.00 0.00 175.30 175.27 3mhj s GLN 1095N -3.56 1.07 0.17 3.54 -0.21 -1.26 -0.62 119.66 118.78 3mhj s GLN 1095Ca 0.31 -0.39 0.08 0.00 0.02 0.00 0.00 55.36 55.38 3mhj s GLN 1095Cb -0.07 -0.99 -0.04 0.00 1.00 0.00 0.00 33.01 32.90 3mhj s GLN 1095CO 0.20 0.19 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.88 3mhj s LEU 1096N -0.02 2.46 -0.03 2.90 1.43 -0.23 -4.68 118.68 120.51 3mhj s LEU 1096Ca -0.00 -0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 52.21 3mhj s LEU 1096Cb -0.07 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 3mhj s LEU 1096CO 0.00 -0.07 0.05 -0.76 0.23 0.00 0.00 176.35 175.80 3mhj s LEU 1097N -2.76 3.76 -0.25 1.79 1.43 -0.10 -0.62 118.68 121.93 3mhj s LEU 1097Ca 0.16 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3mhj s LEU 1097Cb -0.05 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.10 3mhj s LEU 1097CO 0.06 0.30 -0.07 0.12 0.23 0.00 0.00 176.35 177.00 3mhj s PHE 1098N -1.10 3.08 0.05 0.29 5.36 -0.21 -1.05 117.98 124.41 3mhj s PHE 1098Ca 0.20 -1.65 0.09 0.00 -0.96 0.00 0.00 56.93 54.61 3mhj s PHE 1098Cb -0.12 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.49 3mhj s PHE 1098CO 0.10 -0.75 -0.26 0.00 -1.46 0.00 0.00 175.22 172.84 3mhj s ARG 1100N -1.24 4.29 -0.10 0.00 3.52 -0.07 -1.19 118.95 124.15 3mhj s ARG 1100Ca 0.12 1.33 0.02 0.00 -0.13 0.00 0.00 55.73 57.06 3mhj s ARG 1100Cb -0.10 -3.62 0.02 0.00 -1.56 0.00 0.00 34.95 29.69 3mhj s ARG 1100CO 0.02 -0.54 -0.14 0.08 -0.81 0.00 0.00 175.30 173.91 3mhj s VAL 1101N 2.89 1.39 -0.37 7.11 1.01 0.10 0.03 120.40 132.56 3mhj s VAL 1101Ca 0.44 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 3mhj s VAL 1101Cb -0.16 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3mhj s VAL 1101CO 0.09 0.42 0.66 -0.89 0.00 0.00 0.00 175.10 175.38 3mhj s THR 1102N 0.99 4.85 -0.14 3.92 2.01 0.06 -0.63 115.64 126.71 3mhj s THR 1102Ca -0.07 0.58 0.18 0.00 0.31 0.00 0.00 61.69 62.70 3mhj s THR 1102Cb -0.15 -4.12 -0.15 0.00 0.01 0.00 0.00 72.50 68.09 3mhj s THR 1102CO -0.01 -0.37 0.73 0.18 -0.69 0.00 0.00 174.62 174.46 3mhj n LEU 1103N 6.15 0.67 0.00 4.42 4.77 -0.64 -4.91 117.00 127.46 3mhj n LEU 1103Ca -0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3mhj n LEU 1103Cb 0.48 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3mhj n LEU 1103CO 0.50 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3mhj n GLY 1104N 1.39 2.29 3.61 -0.72 0.00 -0.35 -3.60 105.19 107.81 3mhj n GLY 1104Ca -0.10 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 3mhj n GLY 1104CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mhj s LYS 1105N 0.00 3.71 -0.19 1.61 2.20 -1.26 -4.71 119.74 121.11 3mhj s LYS 1105Ca 0.00 0.99 -0.08 0.00 -0.36 0.00 0.00 55.97 56.52 3mhj s LYS 1105Cb 0.00 -3.96 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 3mhj s LYS 1105CO 0.00 -1.39 0.08 0.45 -0.36 0.00 0.00 175.35 174.13 3mhj s SER 1106N 3.33 5.77 -0.19 1.43 0.15 -1.26 -0.27 113.70 122.66 3mhj s SER 1106Ca 0.58 0.12 -0.29 0.00 0.70 0.00 0.00 55.95 57.05 3mhj s SER 1106Cb -0.14 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 3mhj s SER 1106CO 0.29 0.18 1.08 0.12 1.20 0.00 0.00 173.24 176.11 3mhj s PHE 1107N 0.35 3.29 -0.26 3.44 5.36 -0.10 -4.78 117.98 125.27 3mhj s PHE 1107Ca 0.04 1.41 -0.26 0.00 -0.96 0.00 0.00 56.93 57.16 3mhj s PHE 1107Cb -0.12 -3.30 0.00 0.00 -0.34 0.00 0.00 43.02 39.27 3mhj s PHE 1107CO -0.00 -0.66 0.93 -1.17 -1.46 0.00 0.00 175.22 172.85 3mhj s LEU 1108N 3.00 4.06 -0.26 6.12 2.96 -1.26 -0.61 118.68 132.70 3mhj s LEU 1108Ca 0.47 1.08 0.03 0.00 -0.22 0.00 0.00 54.13 55.49 3mhj s LEU 1108Cb -0.17 -3.34 0.06 0.00 0.50 0.00 0.00 46.19 43.24 3mhj s LEU 1108CO 0.10 -0.64 -0.11 -1.58 -1.32 0.00 0.00 176.35 172.81 3mhj s GLN 1109N 3.10 2.21 0.34 1.98 2.00 0.92 -4.97 119.66 125.24 3mhj s GLN 1109Ca 0.39 -1.32 -0.28 0.00 -2.00 0.00 0.00 55.36 52.15 3mhj s GLN 1109Cb -0.14 -2.87 -0.09 0.00 0.80 0.00 0.00 33.01 30.70 3mhj s GLN 1109CO 0.09 -0.57 1.16 -0.06 -0.50 0.00 0.00 175.29 175.41 3mhj s PHE 1110N 1.12 3.30 0.03 1.67 0.08 -1.26 -1.13 117.98 121.78 3mhj s PHE 1110Ca -0.09 1.60 0.08 0.00 0.12 0.00 0.00 56.93 58.64 3mhj s PHE 1110Cb -0.20 -3.38 -0.02 0.00 -0.57 0.00 0.00 43.02 38.85 3mhj s PHE 1110CO -0.05 -1.03 -0.24 0.45 -0.10 0.00 0.00 175.22 174.24 3mhj s SER 1111N -0.94 2.90 0.00 1.36 0.15 -0.31 -4.83 113.70 112.03 3mhj s SER 1111Ca 0.50 -0.53 0.11 0.00 0.70 0.00 0.00 55.95 56.73 3mhj s SER 1111Cb -0.32 -0.28 0.64 0.00 -1.71 0.00 0.00 66.02 64.35 3mhj s SER 1111CO 0.41 0.25 1.17 0.00 1.20 0.00 0.00 173.24 176.27 3mhj n ALA 1112N 2.01 2.23 -1.04 5.45 0.00 -1.26 -0.70 120.51 127.21 3mhj n ALA 1112Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3mhj n ALA 1112Cb 0.52 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3mhj n ALA 1112CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3mhj n MET 1113N -0.75 0.00 0.00 0.00 2.81 -1.26 -4.47 117.12 113.45 3mhj n MET 1113Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 3mhj n MET 1113Cb 0.04 -0.33 0.00 0.00 -0.71 0.00 0.00 33.22 32.22 3mhj n MET 1113CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3mhj n ALA 1116N -1.09 0.00 -2.60 3.04 0.00 -1.26 -1.33 120.51 117.28 3mhj n ALA 1116Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3mhj n ALA 1116Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3mhj n ALA 1116CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3mhj s HIS 1117N -2.07 3.39 0.86 0.00 -0.00 -1.26 -4.84 115.29 111.36 3mhj s HIS 1117Ca 0.00 0.22 -0.11 0.00 -0.00 0.00 0.00 55.06 55.17 3mhj s HIS 1117Cb 0.00 -1.97 0.11 0.00 -0.00 0.00 0.00 32.58 30.72 3mhj s HIS 1117CO 0.00 0.03 1.09 -1.54 -0.00 0.00 0.00 174.74 174.32 3mhj s SER 1118N -4.09 3.77 0.39 7.38 1.04 -1.26 -4.96 113.70 115.97 3mhj s SER 1118Ca 0.42 1.59 -0.27 0.00 0.48 0.00 0.00 55.95 58.17 3mhj s SER 1118Cb -0.10 -2.28 -0.11 0.00 0.10 0.00 0.00 66.02 63.64 3mhj s SER 1118CO 0.35 -2.47 1.35 -2.65 0.98 0.00 0.00 173.24 170.81 3mhj n PRO 1119N -3.78 2.23 -1.61 4.02 -0.02 -1.26 -4.82 135.00 129.76 3mhj n PRO 1119Ca 0.08 0.79 -0.57 0.00 -2.02 0.00 0.00 63.50 61.77 3mhj n PRO 1119Cb 0.55 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 3mhj n PRO 1119CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3mhj n PRO 1120N 0.28 0.68 -0.97 0.52 -0.04 -1.26 0.08 135.00 134.31 3mhj n PRO 1120Ca 0.04 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 3mhj n PRO 1120Cb 0.38 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 3mhj n PRO 1120CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mhj n GLY 1121N 2.72 0.86 3.56 0.55 0.00 -1.26 -5.02 105.19 106.60 3mhj n GLY 1121Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 3mhj n GLY 1121CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mhj s HIS 1122N -3.52 2.54 -1.19 1.61 3.76 0.11 -4.86 115.29 113.75 3mhj s HIS 1122Ca 0.00 -0.26 0.12 0.00 -0.15 0.00 0.00 55.06 54.77 3mhj s HIS 1122Cb 0.00 -1.18 0.02 0.00 1.11 0.00 0.00 32.58 32.53 3mhj s HIS 1122CO 0.00 0.59 0.74 0.72 -0.85 0.00 0.00 174.74 175.94 3mhj n HIS 1123N -0.36 0.00 -3.73 1.40 8.25 0.63 -4.42 115.22 116.99 3mhj n HIS 1123Ca -0.08 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3mhj n HIS 1123Cb 0.58 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.68 3mhj n HIS 1123CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3mhj s SER 1124N -1.37 -0.08 -0.04 0.41 1.04 -1.22 -4.53 113.70 107.91 3mhj s SER 1124Ca 0.11 -0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.31 3mhj s SER 1124Cb 0.10 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 3mhj s SER 1124CO 0.25 -0.56 -0.22 -0.69 0.98 0.00 0.00 173.24 173.01 3mhj s VAL 1125N -2.61 1.75 -0.37 5.02 1.01 -0.44 -0.93 120.40 123.83 3mhj s VAL 1125Ca 0.16 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 3mhj s VAL 1125Cb 0.02 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 34.95 3mhj s VAL 1125CO -0.01 0.49 0.20 -0.89 0.00 0.00 0.00 175.10 174.90 3mhj s THR 1126N -0.25 4.54 -0.42 3.92 2.01 0.22 -0.91 115.64 124.76 3mhj s THR 1126Ca 0.01 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 60.94 3mhj s THR 1126Cb -0.11 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.88 3mhj s THR 1126CO 0.01 -0.23 0.63 -0.83 -0.69 0.00 0.00 174.62 173.51 3mhj s GLY 1127N 1.55 1.73 -0.29 4.40 0.00 0.12 -0.05 107.32 114.78 3mhj s GLY 1127Ca 0.02 -1.15 -0.01 0.00 0.00 0.00 0.00 44.72 43.58 3mhj s GLY 1127CO 0.06 1.50 -0.02 -1.60 0.00 0.00 0.00 173.10 173.04 3mhj s ARG 1128N 2.76 2.49 0.21 2.90 3.52 -0.28 -0.89 118.95 129.66 3mhj s ARG 1128Ca 0.22 -1.22 -0.32 0.00 -0.13 0.00 0.00 55.73 54.29 3mhj s ARG 1128Cb -0.14 -3.11 -0.12 0.00 -1.56 0.00 0.00 34.95 30.01 3mhj s ARG 1128CO 0.18 -0.57 1.67 -2.30 -0.81 0.00 0.00 175.30 173.47 3mhj n PRO 1129N 4.61 2.61 0.00 5.12 -0.02 -1.26 -1.16 135.00 144.90 3mhj n PRO 1129Ca -0.14 0.94 0.06 0.00 -2.02 0.00 0.00 63.50 62.34 3mhj n PRO 1129Cb 0.44 -2.76 -0.04 0.00 -0.02 0.00 0.00 33.50 31.12 3mhj n PRO 1129CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3mhj n SER 1130N 3.57 0.90 -0.13 2.55 3.41 0.12 -4.76 113.62 119.28 3mhj n SER 1130Ca 0.15 -0.95 -0.26 0.00 -0.26 0.00 0.00 58.87 57.55 3mhj n SER 1130Cb 0.34 0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 64.99 3mhj n SER 1130CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3mhj n VAL 1131N -0.85 1.46 -2.71 -3.33 0.31 -0.44 -4.84 118.33 107.93 3mhj n VAL 1131Ca 0.03 -0.31 -0.43 0.00 -0.01 0.00 0.00 64.34 63.63 3mhj n VAL 1131Cb 0.22 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.20 3mhj n VAL 1131CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3mhj s ASN 1132N -7.22 6.47 0.00 4.52 3.84 -0.85 -4.89 114.94 116.81 3mhj s ASN 1132Ca -0.36 0.06 0.19 0.00 0.21 0.00 0.00 52.86 52.96 3mhj s ASN 1132Cb 0.13 -2.50 0.87 0.00 -0.55 0.00 0.00 41.25 39.21 3mhj s ASN 1132CO 0.46 -1.26 1.60 0.61 -2.79 0.00 0.00 177.10 175.72 3mhj n GLY 1133N 5.00 -1.05 0.58 1.21 0.00 -1.26 -1.94 105.19 107.73 3mhj n GLY 1133Ca 0.07 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.11 3mhj n GLY 1133CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mhj n LEU 1134N -1.41 2.17 -4.69 0.99 4.77 -1.26 -4.94 117.00 112.63 3mhj n LEU 1134Ca 0.06 -0.84 -0.41 0.00 -0.03 0.00 0.00 56.01 54.80 3mhj n LEU 1134Cb 0.19 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3mhj n LEU 1134CO 0.16 0.39 0.53 0.00 -1.33 0.00 0.00 177.39 177.15 3mhj s ALA 1135N -2.12 3.41 0.82 -1.18 0.00 -0.82 -4.99 121.76 116.89 3mhj s ALA 1135Ca 0.19 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.18 3mhj s ALA 1135Cb 0.17 -3.13 0.15 0.00 0.00 0.00 0.00 23.12 20.30 3mhj s ALA 1135CO 0.44 -0.41 1.14 -0.51 0.00 0.00 0.00 175.76 176.41 3mhj s LEU 1136N 1.54 2.84 0.63 0.00 1.43 -1.26 -4.60 118.68 119.27 3mhj s LEU 1136Ca 0.39 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 3mhj s LEU 1136Cb -0.17 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 3mhj s LEU 1136CO 0.16 -2.20 1.04 0.00 0.23 0.00 0.00 176.35 175.58 3mhj s ALA 1137N -3.48 2.91 0.13 4.21 0.00 -1.26 -4.55 121.76 119.72 3mhj s ALA 1137Ca 0.69 0.05 0.11 0.00 0.00 0.00 0.00 51.96 52.81 3mhj s ALA 1137Cb -0.05 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3mhj s ALA 1137CO 0.48 -0.85 -0.26 -1.21 0.00 0.00 0.00 175.76 173.92 3mhj s GLU 1138N -4.90 1.44 0.04 0.00 2.02 -0.06 -1.70 118.70 115.53 3mhj s GLU 1138Ca 0.57 -1.34 0.03 0.00 0.02 0.00 0.00 54.97 54.25 3mhj s GLU 1138Cb -0.12 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 3mhj s GLU 1138CO 0.50 0.45 -0.09 0.71 0.02 0.00 0.00 175.26 176.85 3mhj s TYR 1139N -1.09 0.77 -0.05 1.61 2.02 0.25 0.11 117.35 120.97 3mhj s TYR 1139Ca 0.15 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 3mhj s TYR 1139Cb -0.10 -0.46 0.01 0.00 -0.40 0.00 0.00 41.96 41.02 3mhj s TYR 1139CO 0.07 -0.04 -0.10 0.08 -1.57 0.00 0.00 175.55 173.98 3mhj s VAL 1140N -1.15 0.96 0.29 0.71 1.01 -0.09 -0.49 120.40 121.64 3mhj s VAL 1140Ca -0.06 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.63 3mhj s VAL 1140Cb -0.09 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 3mhj s VAL 1140CO 0.01 0.31 -0.14 0.27 0.00 0.00 0.00 175.10 175.55 3mhj s ILE 1141N 0.57 2.69 -0.24 2.22 -4.36 -0.39 -1.33 121.20 120.36 3mhj s ILE 1141Ca -0.11 -2.26 0.02 0.00 -0.26 0.00 0.00 60.65 58.04 3mhj s ILE 1141Cb -0.14 -2.48 0.02 0.00 1.25 0.00 0.00 42.46 41.11 3mhj s ILE 1141CO 0.02 -0.37 0.58 -1.22 0.24 0.00 0.00 174.94 174.19 3mhj n TYR 1142N -0.72 0.00 -4.27 1.37 4.01 -1.26 -0.31 117.16 115.99 3mhj n TYR 1142Ca -0.05 -0.02 -0.23 0.00 -0.16 0.00 0.00 57.90 57.44 3mhj n TYR 1142Cb 0.60 -0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.46 3mhj n TYR 1142CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3mhj s ARG 1143N -0.19 1.31 0.51 -0.72 1.81 -1.26 -4.91 118.95 115.51 3mhj s ARG 1143Ca 0.02 -0.25 0.25 0.00 -1.72 0.00 0.00 55.73 54.03 3mhj s ARG 1143Cb 0.02 -1.23 1.38 0.00 -0.45 0.00 0.00 34.95 34.66 3mhj s ARG 1143CO 0.02 -0.09 2.07 0.78 -0.68 0.00 0.00 175.30 177.41 3mhj h GLY 1144N 7.36 0.00 1.91 -3.53 0.00 -1.92 -2.15 103.07 104.74 3mhj h GLY 1144Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3mhj h GLY 1144CO 0.45 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.17 3mhj n GLU 1145N -3.81 0.04 -0.12 4.80 4.71 -1.26 -2.70 120.64 122.30 3mhj n GLU 1145Ca -0.02 0.27 0.04 0.00 -0.01 0.00 0.00 57.16 57.44 3mhj n GLU 1145Cb 0.23 -1.50 0.11 0.00 -1.01 0.00 0.00 31.44 29.27 3mhj n GLU 1145CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3mhj n GLN 1146N -1.46 1.55 -3.89 3.49 6.02 -0.81 -4.15 117.38 118.13 3mhj n GLN 1146Ca 0.03 -0.86 -0.11 0.00 -0.01 0.00 0.00 57.00 56.06 3mhj n GLN 1146Cb 0.13 -1.19 -0.12 0.00 1.02 0.00 0.00 30.24 30.09 3mhj n GLN 1146CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mhj s ALA 1147N -1.68 -0.14 -0.08 -1.58 0.00 -1.10 -0.76 121.76 116.42 3mhj s ALA 1147Ca 0.16 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.01 3mhj s ALA 1147Cb 0.08 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3mhj s ALA 1147CO 0.11 -0.12 -0.13 -0.47 0.00 0.00 0.00 175.76 175.14 3mhj s TYR 1148N -0.83 1.60 -1.07 0.00 5.04 0.10 -4.72 117.35 117.48 3mhj s TYR 1148Ca -0.09 -0.63 -0.21 0.00 -2.44 0.00 0.00 57.07 53.70 3mhj s TYR 1148Cb -0.05 -1.17 0.07 0.00 0.35 0.00 0.00 41.96 41.16 3mhj s TYR 1148CO 0.00 -0.32 1.47 -1.25 -1.34 0.00 0.00 175.55 174.11 3mhj s PRO 1149N 0.74 3.68 0.04 4.97 0.04 -1.26 -0.90 135.00 142.32 3mhj s PRO 1149Ca -0.13 -1.40 -0.18 0.00 0.04 0.00 0.00 61.00 59.33 3mhj s PRO 1149Cb -0.16 -5.34 -0.17 0.00 0.04 0.00 0.00 34.50 28.87 3mhj s PRO 1149CO 0.03 -2.16 1.24 1.49 0.04 0.00 0.00 177.00 177.64 3mhj h GLU 1150N 9.18 0.50 -5.71 4.56 4.81 -1.77 -3.40 114.58 122.76 3mhj h GLU 1150Ca 0.25 -0.40 -0.62 0.00 -0.13 0.00 0.00 59.36 58.47 3mhj h GLU 1150Cb 0.98 0.08 -0.31 0.00 0.63 0.00 0.00 28.75 30.13 3mhj h GLU 1150CO 1.40 1.02 -0.86 0.71 -0.73 0.00 0.00 179.01 180.55 3mhj s TYR 1151N -3.73 2.00 -0.23 0.92 2.02 -0.34 -0.76 117.35 117.22 3mhj s TYR 1151Ca -0.13 -0.54 -0.07 0.00 -0.37 0.00 0.00 57.07 55.96 3mhj s TYR 1151Cb 0.05 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 3mhj s TYR 1151CO 0.82 -0.15 0.05 -1.17 -1.57 0.00 0.00 175.55 173.53 3mhj s LEU 1152N -0.15 3.40 -0.17 -1.29 2.96 0.07 -1.04 118.68 122.47 3mhj s LEU 1152Ca -0.01 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3mhj s LEU 1152Cb -0.12 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.67 3mhj s LEU 1152CO 0.02 -0.00 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.29 3mhj s ILE 1153N 1.41 2.82 -0.18 6.68 1.01 0.21 -0.94 121.20 132.21 3mhj s ILE 1153Ca 0.05 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 3mhj s ILE 1153Cb -0.15 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 3mhj s ILE 1153CO 0.03 0.50 -0.00 -0.89 0.00 0.00 0.00 174.94 174.57 3mhj s THR 1154N 0.98 4.05 0.20 2.92 2.01 -0.06 -1.07 115.64 124.67 3mhj s THR 1154Ca -0.02 -0.29 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 3mhj s THR 1154Cb -0.15 -2.81 0.02 0.00 0.01 0.00 0.00 72.50 69.57 3mhj s THR 1154CO -0.02 0.45 0.49 -0.72 -0.69 0.00 0.00 174.62 174.14 3mhj s TYR 1155N 0.71 0.02 0.04 4.92 -0.85 0.21 -0.38 117.35 122.03 3mhj s TYR 1155Ca -0.00 -0.37 0.08 0.00 -0.52 0.00 0.00 57.07 56.26 3mhj s TYR 1155Cb -0.14 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.49 3mhj s TYR 1155CO 0.02 -0.92 -0.22 -0.65 -1.52 0.00 0.00 175.55 172.26 3mhj s GLN 1156N -3.91 1.94 0.47 -3.49 -0.21 -0.32 -0.22 119.66 113.92 3mhj s GLN 1156Ca 0.12 -1.04 -0.21 0.00 0.02 0.00 0.00 55.36 54.25 3mhj s GLN 1156Cb -0.01 -2.09 -0.08 0.00 1.00 0.00 0.00 33.01 31.84 3mhj s GLN 1156CO -0.00 0.53 1.06 0.96 -2.12 0.00 0.00 175.29 175.71 3mhj s ILE 1157N -0.86 3.65 -0.13 1.08 -4.36 -1.26 -0.69 121.20 118.63 3mhj s ILE 1157Ca 0.13 1.09 -0.05 0.00 -0.26 0.00 0.00 60.65 61.56 3mhj s ILE 1157Cb -0.10 -3.48 -0.04 0.00 1.25 0.00 0.00 42.46 40.09 3mhj s ILE 1157CO 0.04 -0.16 0.06 -0.04 0.24 0.00 0.00 174.94 175.07 3mhj s MET 1158N -3.05 3.46 0.01 0.37 -1.94 -0.85 -4.64 119.30 112.65 3mhj s MET 1158Ca 0.66 -0.30 -0.30 0.00 -1.71 0.00 0.00 55.69 54.03 3mhj s MET 1158Cb -0.19 -3.05 -0.06 0.00 2.01 0.00 0.00 34.83 33.54 3mhj s MET 1158CO 0.23 0.58 1.48 0.50 -0.01 0.00 0.00 175.02 177.81 3mhj s ARG 1159N -0.50 4.25 0.48 2.03 3.52 -1.26 -4.35 118.95 123.12 3mhj s ARG 1159Ca 0.10 2.07 -0.24 0.00 -0.13 0.00 0.00 55.73 57.53 3mhj s ARG 1159Cb -0.12 -3.63 -0.08 0.00 -1.56 0.00 0.00 34.95 29.56 3mhj s ARG 1159CO 0.02 -0.65 1.27 -2.30 -0.81 0.00 0.00 175.30 172.83 3mhj n PRO 1160N 5.66 1.77 0.00 5.12 -0.02 -1.26 -5.02 135.00 141.24 3mhj n PRO 1160Ca 0.14 0.64 0.14 0.00 -2.02 0.00 0.00 63.50 62.40 3mhj n PRO 1160Cb 0.43 -2.43 0.45 0.00 -0.02 0.00 0.00 33.50 31.93 3mhj n PRO 1160CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87