#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 5.04 -0.02 2.61 2.01 -1.26 -4.49 115.64 119.53 3mhj s THR 953 Ca 0.00 1.28 0.04 0.00 0.31 0.00 0.00 61.69 63.32 3mhj s THR 953 Cb 0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 3mhj s THR 953 CO 0.00 0.31 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.48 3mhj s ILE 954 N 0.51 3.15 -0.21 1.82 1.01 -0.22 -4.99 121.20 122.26 3mhj s ILE 954 Ca 0.33 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 3mhj s ILE 954 Cb -0.17 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 3mhj s ILE 954 CO 0.16 0.50 -0.04 -0.76 0.00 0.00 0.00 174.94 174.80 3mhj s LEU 955 N -1.02 2.97 -0.28 2.97 1.43 -1.26 -1.01 118.68 122.47 3mhj s LEU 955 Ca 0.13 -0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 3mhj s LEU 955 Cb -0.11 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 3mhj s LEU 955 CO 0.03 0.00 0.09 -0.63 0.23 0.00 0.00 176.35 176.07 3mhj s ILE 956 N 1.35 4.22 0.03 -0.59 -1.09 -0.43 -4.91 121.20 119.78 3mhj s ILE 956 Ca 0.04 -0.46 -0.30 0.00 -2.23 0.00 0.00 60.65 57.70 3mhj s ILE 956 Cb -0.14 -3.10 -0.06 0.00 -1.58 0.00 0.00 42.46 37.58 3mhj s ILE 956 CO -0.02 0.16 1.32 -0.62 -1.23 0.00 0.00 174.94 174.55 3mhj s ASP 957 N 1.56 6.93 -0.01 3.58 2.15 -1.26 -0.17 116.67 129.46 3mhj s ASP 957 Ca 0.04 2.09 -0.15 0.00 0.43 0.00 0.00 52.55 54.96 3mhj s ASP 957 Cb -0.16 -2.57 -0.06 0.00 -0.30 0.00 0.00 42.92 39.83 3mhj s ASP 957 CO 0.04 -0.62 0.42 -0.76 -0.17 0.00 0.00 175.17 174.08 3mhj s LEU 958 N 1.75 4.46 0.37 -1.34 1.43 -0.07 -4.94 118.68 120.35 3mhj s LEU 958 Ca 0.61 0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 54.41 3mhj s LEU 958 Cb -0.31 -2.61 -0.09 0.00 0.03 0.00 0.00 46.19 43.21 3mhj s LEU 958 CO 0.27 0.29 1.18 -0.55 0.23 0.00 0.00 176.35 177.77 3mhj s SER 959 N -0.88 6.65 0.66 2.29 0.15 -1.26 -4.64 113.70 116.67 3mhj s SER 959 Ca 0.24 2.39 0.43 0.00 0.70 0.00 0.00 55.95 59.72 3mhj s SER 959 Cb -0.17 -2.62 2.35 0.00 -1.71 0.00 0.00 66.02 63.87 3mhj s SER 959 CO 0.13 -0.59 2.32 -0.65 1.20 0.00 0.00 173.24 175.66 3mhj h PRO 960 N 2.90 0.00 -0.00 5.44 0.11 -1.97 -0.65 132.00 137.82 3mhj h PRO 960 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3mhj h PRO 960 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mhj h PRO 960 CO 0.63 0.00 -0.12 -0.25 -0.21 0.00 0.00 178.00 178.05 3mhj n ASP 961 N -3.04 0.13 -4.72 -2.05 8.00 -1.26 -4.58 116.55 109.03 3mhj n ASP 961 Ca -0.03 0.30 -0.42 0.00 0.71 0.00 0.00 54.79 55.35 3mhj n ASP 961 Cb 0.09 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 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 -2.99 7.18 0.43 -2.24 -1.08 -0.25 -4.93 116.67 112.79 3mhj s ASP 962 Ca 0.14 1.96 0.16 0.00 -0.52 0.00 0.00 52.55 54.29 3mhj s ASP 962 Cb 0.19 -2.58 1.07 0.00 -1.46 0.00 0.00 42.92 40.13 3mhj s ASP 962 CO 0.57 -0.37 1.93 0.07 0.52 0.00 0.00 175.17 177.88 3mhj h LYS 963 N 6.44 0.38 -0.51 4.34 2.10 -1.88 -1.50 116.57 125.94 3mhj h LYS 963 Ca -0.42 -0.02 -0.13 0.00 -2.00 0.00 0.00 60.65 58.08 3mhj h LYS 963 Cb 1.21 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 3mhj h LYS 963 CO 0.78 0.25 -0.17 1.49 -2.00 0.00 0.00 179.45 179.80 3mhj h GLU 964 N 0.40 1.01 -0.08 0.07 4.81 -1.92 -0.62 114.58 118.25 3mhj h GLU 964 Ca 0.36 -0.41 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3mhj h GLU 964 Cb 0.84 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 3mhj h GLU 964 CO -0.11 1.09 0.03 0.35 -0.73 0.00 0.00 179.01 179.64 3mhj h PHE 965 N 0.88 0.06 -0.81 0.92 3.57 -1.54 -2.61 116.94 117.40 3mhj h PHE 965 Ca 0.12 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3mhj h PHE 965 Cb 0.75 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 3mhj h PHE 965 CO 0.05 0.03 0.39 1.96 -2.23 0.00 0.00 178.31 178.52 3mhj h GLN 966 N 0.07 1.17 -0.19 1.11 4.20 -1.17 0.10 115.11 120.41 3mhj h GLN 966 Ca 0.03 -0.17 -0.15 0.00 0.06 0.00 0.00 58.65 58.42 3mhj h GLN 966 Cb 0.01 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3mhj h GLN 966 CO -0.03 0.90 -0.52 0.66 -0.67 0.00 0.00 178.83 179.17 3mhj h SER 967 N 1.15 0.60 -0.14 1.46 4.64 -1.07 -1.47 113.55 118.73 3mhj h SER 967 Ca 0.28 -0.31 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 3mhj h SER 967 Cb 0.11 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3mhj h SER 967 CO -0.04 1.01 -0.09 0.58 -0.87 0.00 0.00 176.83 177.43 3mhj h VAL 968 N 0.42 1.33 -0.50 0.95 2.07 -1.25 -2.11 116.25 117.15 3mhj h VAL 968 Ca 0.01 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.45 3mhj h VAL 968 Cb 1.05 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.55 3mhj h VAL 968 CO 0.10 0.34 0.16 -0.08 0.02 0.00 0.00 177.57 178.10 3mhj h GLU 969 N -0.04 0.31 -0.89 1.57 4.81 -0.94 -1.45 114.58 117.94 3mhj h GLU 969 Ca 0.03 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3mhj h GLU 969 Cb 0.57 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3mhj h GLU 969 CO 0.02 0.20 0.59 1.49 -0.73 0.00 0.00 179.01 180.59 3mhj h GLU 970 N 0.32 1.17 -0.65 1.92 4.57 -1.16 0.07 114.58 120.82 3mhj h GLU 970 Ca 0.24 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 3mhj h GLU 970 Cb 0.28 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3mhj h GLU 970 CO -0.27 0.77 0.20 1.49 -1.18 0.00 0.00 179.01 180.02 3mhj h GLU 971 N 1.20 1.02 0.06 1.92 4.57 -0.97 -0.11 114.58 122.26 3mhj h GLU 971 Ca 0.33 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3mhj h GLU 971 Cb -0.13 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.29 3mhj h GLU 971 CO -0.08 0.90 -0.18 1.98 -1.18 0.00 0.00 179.01 180.45 3mhj h MET 972 N 0.95 -0.31 -0.12 1.92 4.05 -0.80 -3.03 114.93 117.59 3mhj h MET 972 Ca 0.21 0.02 -0.23 0.00 -0.28 0.00 0.00 59.70 59.42 3mhj h MET 972 Cb 0.31 0.07 0.01 0.00 -0.80 0.00 0.00 31.60 31.19 3mhj h MET 972 CO -0.01 -0.21 -0.82 1.96 0.23 0.00 0.00 176.91 178.07 3mhj h GLN 973 N -0.32 0.74 0.00 0.39 1.08 -0.85 -3.22 115.11 112.92 3mhj h GLN 973 Ca 0.04 -0.64 0.00 0.00 -1.45 0.00 0.00 58.65 56.60 3mhj h GLN 973 Cb 0.36 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3mhj h GLN 973 CO -0.13 1.24 0.00 0.66 -0.95 0.00 0.00 178.83 179.65 3mhj h SER 974 N 0.49 0.00 -0.48 1.46 4.64 -1.05 -3.04 113.55 115.56 3mhj h SER 974 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3mhj h SER 974 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 3mhj h SER 974 CO 0.17 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.48 3mhj n THR 975 N -2.37 2.05 -2.23 2.95 -2.24 -1.15 -4.95 114.28 106.35 3mhj n THR 975 Ca 0.04 -1.41 -0.41 0.00 -2.27 0.00 0.00 64.05 59.99 3mhj n THR 975 Cb 0.35 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.20 3.14 0.24 2.28 1.01 -1.15 -3.01 120.40 120.70 3mhj s VAL 976 Ca 0.46 1.00 0.01 0.00 0.00 0.00 0.00 61.98 63.44 3mhj s VAL 976 Cb 0.32 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3mhj s VAL 976 CO 0.17 0.18 0.10 0.00 0.00 0.00 0.00 175.10 175.55 3mhj s ARG 977 N -0.61 1.34 0.37 2.72 1.70 -1.26 -5.00 118.95 118.21 3mhj s ARG 977 Ca 0.54 -1.72 -0.24 0.00 -0.47 0.00 0.00 55.73 53.83 3mhj s ARG 977 Cb -0.37 -0.12 -0.10 0.00 -0.57 0.00 0.00 34.95 33.79 3mhj s ARG 977 CO 0.42 -0.32 0.97 -1.21 -1.08 0.00 0.00 175.30 174.08 3mhj s GLU 978 N -4.06 4.40 0.11 3.89 2.02 -1.26 -4.92 118.70 118.88 3mhj s GLU 978 Ca 0.38 1.32 0.07 0.00 0.02 0.00 0.00 54.97 56.76 3mhj s GLU 978 Cb 0.08 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 3mhj s GLU 978 CO 0.13 0.10 -0.10 -1.01 0.02 0.00 0.00 175.26 174.41 3mhj s HIS 979 N -1.77 2.74 -0.69 1.61 3.76 -1.26 -4.99 115.29 114.69 3mhj s HIS 979 Ca 0.55 -0.16 0.21 0.00 -0.15 0.00 0.00 55.06 55.50 3mhj s HIS 979 Cb -0.17 -1.42 0.85 0.00 1.11 0.00 0.00 32.58 32.96 3mhj s HIS 979 CO 0.22 0.44 1.63 0.54 -0.85 0.00 0.00 174.74 176.72 3mhj n ARG 980 N 0.60 0.12 -0.04 1.40 1.74 -1.26 -1.91 116.66 117.31 3mhj n ARG 980 Ca -0.13 0.34 0.10 0.00 -0.77 0.00 0.00 57.85 57.39 3mhj n ARG 980 Cb 0.53 -1.73 0.46 0.00 -1.02 0.00 0.00 32.46 30.70 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 -1.96 0.98 -0.63 0.55 5.68 -1.26 -4.92 116.55 114.99 3mhj n ASP 981 Ca 0.03 -1.58 -0.08 0.00 -0.50 0.00 0.00 54.79 52.66 3mhj n ASP 981 Cb 0.22 -0.06 -0.04 0.00 -1.14 0.00 0.00 41.12 40.11 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 1.00 0.95 0.00 6.12 0.00 -0.80 -1.88 105.19 110.57 3mhj n GLY 982 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.15 0.84 0.15 -0.02 0.00 -1.26 -4.82 105.19 98.92 3mhj n GLY 983 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 0.37 0.02 1.61 -0.00 -1.67 0.17 115.15 115.65 3mhj h HIS 984 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 3mhj h HIS 984 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 3mhj h HIS 984 CO 0.00 0.22 -0.18 0.00 -0.00 0.00 0.00 177.93 177.97 3mhj h ALA 985 N 1.13 -0.01 0.00 5.26 0.00 -1.85 -3.40 119.26 120.39 3mhj h ALA 985 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3mhj h ALA 985 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mhj h ALA 985 CO -0.04 0.06 -1.10 0.41 0.00 0.00 0.00 179.25 178.57 3mhj n GLY 986 N 1.42 -0.75 0.00 0.00 0.00 -1.21 -4.04 105.19 100.61 3mhj n GLY 986 Ca -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.13 3.48 -0.02 0.00 0.58 -4.71 105.19 107.08 3mhj n GLY 987 Ca 0.02 -1.98 -0.38 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 -1.95 4.73 -0.06 -0.61 1.01 -1.26 -4.43 121.20 118.62 3mhj s ILE 988 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 3mhj s ILE 988 Cb 0.00 -3.33 0.11 0.00 0.01 0.00 0.00 42.46 39.26 3mhj s ILE 988 CO 0.00 0.17 0.95 0.72 0.00 0.00 0.00 174.94 176.78 3mhj s PHE 989 N 1.65 -0.33 -0.21 3.97 -0.12 -1.26 -4.53 117.98 117.15 3mhj s PHE 989 Ca 0.06 0.31 0.05 0.00 -0.05 0.00 0.00 56.93 57.30 3mhj s PHE 989 Cb -0.16 0.51 -0.06 0.00 -0.63 0.00 0.00 43.02 42.68 3mhj s PHE 989 CO 0.07 -0.46 0.21 0.09 -0.05 0.00 0.00 175.22 175.08 3mhj n ASN 990 N 0.02 0.88 -3.80 1.98 3.02 -1.26 -4.93 115.26 111.17 3mhj n ASN 990 Ca -0.08 -0.51 -0.08 0.00 -0.03 0.00 0.00 54.58 53.88 3mhj n ASN 990 Cb 0.60 1.05 -0.02 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 -1.67 1.78 0.27 3.52 1.70 -1.26 -4.88 118.95 118.42 3mhj s ARG 991 Ca 0.01 -1.10 0.10 0.00 -0.47 0.00 0.00 55.73 54.28 3mhj s ARG 991 Cb 0.04 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 34.95 3mhj s ARG 991 CO 0.22 -0.80 -0.07 0.71 -1.08 0.00 0.00 175.30 174.28 3mhj s TYR 992 N -3.79 2.56 -0.40 5.89 2.02 -1.26 -2.12 117.35 120.26 3mhj s TYR 992 Ca 0.14 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.46 3mhj s TYR 992 Cb -0.05 -1.13 0.04 0.00 -0.40 0.00 0.00 41.96 40.42 3mhj s TYR 992 CO 0.08 0.65 0.26 1.21 -1.57 0.00 0.00 175.55 176.18 3mhj s ASN 993 N -3.62 5.88 -0.18 2.29 2.47 -0.23 -4.87 114.94 116.67 3mhj s ASN 993 Ca 0.31 -1.06 -0.26 0.00 0.42 0.00 0.00 52.86 52.27 3mhj s ASN 993 Cb -0.06 -2.08 -0.01 0.00 -1.45 0.00 0.00 41.25 37.66 3mhj s ASN 993 CO 0.18 -0.45 0.86 -0.63 -3.72 0.00 0.00 177.10 173.35 3mhj s ILE 994 N 1.58 4.85 -0.18 -5.21 -1.09 -1.26 -1.39 121.20 118.50 3mhj s ILE 994 Ca 0.03 1.69 0.04 0.00 -2.23 0.00 0.00 60.65 60.18 3mhj s ILE 994 Cb -0.20 -4.16 -0.22 0.00 -1.58 0.00 0.00 42.46 36.30 3mhj s ILE 994 CO 0.07 -0.01 0.10 0.18 -1.23 0.00 0.00 174.94 174.06 3mhj n LEU 995 N 5.41 2.00 -3.62 2.97 4.77 0.45 -4.98 117.00 123.98 3mhj n LEU 995 Ca 0.06 0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 3mhj n LEU 995 Cb 0.48 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 3mhj n LEU 995 CO 0.49 0.75 0.33 -0.75 -1.33 0.00 0.00 177.39 176.88 3mhj s LYS 996 N -2.53 0.84 -0.09 3.23 2.20 -0.95 -5.00 119.74 117.44 3mhj s LYS 996 Ca -0.23 0.52 -0.00 0.00 -0.36 0.00 0.00 55.97 55.90 3mhj s LYS 996 Cb 0.08 0.40 0.02 0.00 -1.51 0.00 0.00 37.83 36.82 3mhj s LYS 996 CO 0.72 -0.19 -0.05 0.42 -0.36 0.00 0.00 175.35 175.90 3mhj s ILE 997 N -0.42 0.76 -0.08 5.43 1.01 -1.26 -0.92 121.20 125.72 3mhj s ILE 997 Ca -0.06 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.49 3mhj s ILE 997 Cb -0.03 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 3mhj s ILE 997 CO 0.05 0.31 -0.20 -1.10 0.00 0.00 0.00 174.94 174.00 3mhj s GLN 998 N 1.63 2.78 0.12 2.79 -0.21 -0.15 -0.89 119.66 125.73 3mhj s GLN 998 Ca 0.02 -0.81 -0.30 0.00 0.02 0.00 0.00 55.36 54.29 3mhj s GLN 998 Cb -0.13 -2.33 -0.06 0.00 1.00 0.00 0.00 33.01 31.49 3mhj s GLN 998 CO -0.05 0.38 1.00 0.15 -2.12 0.00 0.00 175.29 174.64 3mhj s LYS 999 N -0.12 4.66 -0.28 2.91 1.02 0.76 -0.73 119.74 127.97 3mhj s LYS 999 Ca -0.04 1.52 -0.12 0.00 0.02 0.00 0.00 55.97 57.35 3mhj s LYS 999 Cb -0.14 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 3mhj s LYS 999 CO 0.04 0.16 0.25 0.08 -0.92 0.00 0.00 175.35 174.96 3mhj s VAL 1000N 0.01 5.27 -0.20 3.17 1.01 -0.18 -1.31 120.40 128.16 3mhj s VAL 1000Ca 0.48 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.77 3mhj s VAL 1000Cb -0.25 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.59 3mhj s VAL 1000CO 0.31 0.22 -0.13 0.00 0.00 0.00 0.00 175.10 175.50 3mhj s ASN 1002N 1.31 0.77 0.14 0.00 3.84 -1.26 -1.05 114.94 118.69 3mhj s ASN 1002Ca -0.01 0.08 -0.16 0.00 0.21 0.00 0.00 52.86 52.98 3mhj s ASN 1002Cb -0.16 0.74 0.00 0.00 -0.55 0.00 0.00 41.25 41.28 3mhj s ASN 1002CO -0.09 -0.30 1.77 0.50 -2.79 0.00 0.00 177.10 176.18 3mhj h LYS 1003N 8.25 0.53 -0.57 0.43 3.64 -1.98 -1.02 116.57 125.85 3mhj h LYS 1003Ca -0.18 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 3mhj h LYS 1003Cb 1.15 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3mhj h LYS 1003CO 0.26 0.41 0.30 -0.22 -2.27 0.00 0.00 179.45 177.93 3mhj h LYS 1004N 0.50 0.80 -0.21 1.90 3.64 -1.97 -0.98 116.57 120.25 3mhj h LYS 1004Ca 0.14 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 3mhj h LYS 1004Cb 0.02 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3mhj h LYS 1004CO -0.02 0.62 -0.37 -0.07 -2.27 0.00 0.00 179.45 177.33 3mhj h LEU 1005N 0.77 0.48 -0.35 5.20 3.38 -1.91 -1.31 115.31 121.56 3mhj h LEU 1005Ca 0.20 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3mhj h LEU 1005Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3mhj h LEU 1005CO -0.03 0.81 -0.25 -0.25 0.09 0.00 0.00 178.44 178.81 3mhj h TRP 1006N 0.39 0.93 -0.22 1.13 2.91 -0.93 -1.59 115.95 118.56 3mhj h TRP 1006Ca 0.04 -0.25 -0.14 0.00 1.13 0.00 0.00 58.89 59.67 3mhj h TRP 1006Cb 0.83 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.27 3mhj h TRP 1006CO 0.03 1.01 -0.43 0.93 -1.03 0.00 0.00 178.44 178.95 3mhj h GLU 1007N 0.57 0.54 -0.56 2.65 5.08 -0.96 -0.37 114.58 121.54 3mhj h GLU 1007Ca 0.07 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3mhj h GLU 1007Cb 0.81 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 3mhj h GLU 1007CO 0.07 0.87 0.32 -0.09 -1.00 0.00 0.00 179.01 179.18 3mhj h ARG 1008N 0.44 0.78 0.03 2.33 2.43 -1.18 -0.37 114.38 118.85 3mhj h ARG 1008Ca 0.03 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3mhj h ARG 1008Cb 0.94 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3mhj h ARG 1008CO 0.08 0.58 -0.01 -0.92 -1.51 0.00 0.00 179.97 178.19 3mhj h TYR 1009N 0.76 -0.04 0.00 2.20 3.20 -0.72 -2.75 116.97 119.62 3mhj h TYR 1009Ca 0.20 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 3mhj h TYR 1009Cb 0.02 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3mhj h TYR 1009CO -0.02 0.01 -0.40 1.79 -1.64 0.00 0.00 178.16 177.90 3mhj h THR 1010N -0.07 1.13 -0.13 1.81 1.35 -0.93 0.38 112.91 116.46 3mhj h THR 1010Ca -0.00 -1.45 -0.01 0.00 -0.55 0.00 0.00 66.41 64.39 3mhj h THR 1010Cb 0.06 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 3mhj h THR 1010CO 0.01 0.39 0.03 -0.74 -0.25 0.00 0.00 175.52 174.96 3mhj h HIS 1011N 0.00 0.22 -0.59 4.73 -0.00 -1.03 -1.53 115.15 116.95 3mhj h HIS 1011Ca -0.00 -0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.25 3mhj h HIS 1011Cb 0.78 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.11 3mhj h HIS 1011CO 0.00 0.37 0.02 -0.09 -0.00 0.00 0.00 177.93 178.23 3mhj h ARG 1012N -0.00 1.02 -0.75 5.26 9.65 -1.18 -2.31 114.38 126.07 3mhj h ARG 1012Ca 0.04 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.61 3mhj h ARG 1012Cb 0.27 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.71 3mhj h ARG 1012CO 0.00 0.99 0.44 -0.09 2.80 0.00 0.00 179.97 184.11 3mhj h ARG 1013N 0.94 1.03 -0.52 0.20 2.43 -0.77 -0.47 114.38 117.22 3mhj h ARG 1013Ca 0.17 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 3mhj h ARG 1013Cb 0.52 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3mhj h ARG 1013CO 0.03 0.74 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.97 3mhj h LYS 1014N 1.03 0.94 -0.22 0.20 3.64 -1.07 -0.19 116.57 120.91 3mhj h LYS 1014Ca 0.27 -0.32 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3mhj h LYS 1014Cb -0.01 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3mhj h LYS 1014CO -0.05 0.97 0.03 0.93 -2.27 0.00 0.00 179.45 179.07 3mhj h GLU 1015N 0.81 0.11 -0.29 1.90 5.08 -0.88 -0.24 114.58 121.08 3mhj h GLU 1015Ca 0.14 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3mhj h GLU 1015Cb 0.57 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3mhj h GLU 1015CO 0.03 0.08 0.17 0.28 -1.00 0.00 0.00 179.01 178.57 3mhj h VAL 1016N 0.12 1.10 -0.73 3.13 2.07 -0.98 -2.45 116.25 118.50 3mhj h VAL 1016Ca 0.10 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3mhj h VAL 1016Cb 0.10 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3mhj h VAL 1016CO -0.14 0.10 0.44 -1.28 0.02 0.00 0.00 177.57 176.71 3mhj h SER 1017N 0.37 0.70 0.61 0.57 0.87 -0.80 -1.46 113.55 114.41 3mhj h SER 1017Ca 0.10 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3mhj h SER 1017Cb 0.01 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3mhj h SER 1017CO -0.02 0.46 -0.27 -0.33 -0.53 0.00 0.00 176.83 176.14 3mhj h GLU 1018N 0.83 0.00 -0.00 2.24 5.08 -0.93 0.29 114.58 122.09 3mhj h GLU 1018Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3mhj h GLU 1018Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3mhj h GLU 1018CO -0.15 0.27 -0.04 0.39 -1.00 0.00 0.00 179.01 178.48 3mhj n GLU 1019N -3.66 0.61 -2.96 2.33 1.02 -0.59 -4.39 120.64 112.99 3mhj n GLU 1019Ca -0.01 -0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 56.90 3mhj n GLU 1019Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3mhj n GLU 1019CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3mhj n ASN 1020N -1.11 0.73 -4.24 1.62 5.15 -0.65 -4.97 115.26 111.78 3mhj n ASN 1020Ca 0.16 -2.93 -0.31 0.00 -0.60 0.00 0.00 54.58 50.90 3mhj n ASN 1020Cb 0.24 -0.36 -0.08 0.00 -0.53 0.00 0.00 39.78 39.05 3mhj n ASN 1020CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mhj n HIS 1021N 0.13 -1.37 -3.15 1.20 1.44 -1.21 -1.04 115.22 111.22 3mhj n HIS 1021Ca 0.17 0.66 -0.22 0.00 -2.01 0.00 0.00 57.72 56.32 3mhj n HIS 1021Cb 0.73 -2.97 0.05 0.00 0.12 0.00 0.00 29.99 27.91 3mhj n HIS 1021CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3mhj n ASN 1022N -2.87 -6.11 -3.76 4.39 3.02 0.92 -4.98 115.26 105.87 3mhj n ASN 1022Ca -0.27 -0.35 -0.28 0.00 -0.03 0.00 0.00 54.58 53.65 3mhj n ASN 1022Cb 0.67 -4.88 -0.16 0.00 -0.61 0.00 0.00 39.78 34.80 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 -3.21 1.32 0.13 3.10 2.46 -0.20 -4.98 115.29 113.91 3mhj s HIS 1023Ca 0.37 -1.13 0.25 0.00 0.47 0.00 0.00 55.06 55.01 3mhj s HIS 1023Cb -0.16 -1.22 0.95 0.00 -0.13 0.00 0.00 32.58 32.02 3mhj s HIS 1023CO 0.46 -0.68 1.84 0.00 -2.47 0.00 0.00 174.74 173.88 3mhj h ALA 1024N 8.18 1.02 -5.99 1.58 0.00 -1.86 -3.40 119.26 118.79 3mhj h ALA 1024Ca -0.16 -0.19 -0.38 0.00 0.00 0.00 0.00 54.91 54.18 3mhj h ALA 1024Cb 1.09 -0.03 0.10 0.00 0.00 0.00 0.00 17.79 18.95 3mhj h ALA 1024CO 0.37 0.26 -0.88 -1.71 0.00 0.00 0.00 179.25 177.29 3mhj n ASN 1025N -3.37 -4.07 -4.72 0.00 5.15 -1.26 -0.83 115.26 106.15 3mhj n ASN 1025Ca 0.00 -0.87 -0.40 0.00 -0.60 0.00 0.00 54.58 52.71 3mhj n ASN 1025Cb 0.42 -4.06 -0.04 0.00 -0.53 0.00 0.00 39.78 35.57 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 -5.61 4.48 0.24 1.20 2.12 -1.26 -1.82 118.70 118.05 3mhj s GLU 1026Ca 0.30 1.06 0.09 0.00 0.36 0.00 0.00 54.97 56.77 3mhj s GLU 1026Cb -0.08 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 3mhj s GLU 1026CO 0.81 0.10 -0.16 1.03 -0.54 0.00 0.00 175.26 176.51 3mhj s ARG 1027N 0.61 1.47 -0.22 4.30 1.81 -0.04 -4.95 118.95 121.92 3mhj s ARG 1027Ca 0.41 -1.67 -0.05 0.00 -1.72 0.00 0.00 55.73 52.70 3mhj s ARG 1027Cb -0.19 -1.35 -0.02 0.00 -0.45 0.00 0.00 34.95 32.94 3mhj s ARG 1027CO 0.22 0.22 0.01 -1.64 -0.68 0.00 0.00 175.30 173.43 3mhj s MET 1028N -3.60 3.54 0.06 3.54 -1.94 -1.26 -0.66 119.30 118.97 3mhj s MET 1028Ca 0.26 -0.54 0.00 0.00 -1.71 0.00 0.00 55.69 53.69 3mhj s MET 1028Cb -0.02 -3.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 3mhj s MET 1028CO 0.10 -0.13 -0.04 -0.51 -0.01 0.00 0.00 175.02 174.42 3mhj s LEU 1029N 1.39 2.44 0.17 -0.03 1.43 -0.23 -4.92 118.68 118.94 3mhj s LEU 1029Ca 0.05 -0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 52.15 3mhj s LEU 1029Cb -0.15 0.09 -0.07 0.00 0.03 0.00 0.00 46.19 46.10 3mhj s LEU 1029CO 0.01 -0.49 0.49 -0.36 0.23 0.00 0.00 176.35 176.22 3mhj s PHE 1030N -3.32 3.50 -0.03 0.29 0.08 0.07 -0.12 117.98 118.44 3mhj s PHE 1030Ca 0.04 0.84 0.00 0.00 0.12 0.00 0.00 56.93 57.93 3mhj s PHE 1030Cb 0.03 -2.22 0.03 0.00 -0.57 0.00 0.00 43.02 40.29 3mhj s PHE 1030CO -0.07 0.37 0.01 -1.58 -0.10 0.00 0.00 175.22 173.86 3mhj s HIS 1031N -1.65 0.20 0.01 0.36 5.65 -0.16 -0.69 115.29 119.02 3mhj s HIS 1031Ca 0.42 0.06 0.06 0.00 0.25 0.00 0.00 55.06 55.85 3mhj s HIS 1031Cb -0.13 -0.36 -0.02 0.00 -1.18 0.00 0.00 32.58 30.90 3mhj s HIS 1031CO 0.21 -0.12 -0.18 0.20 -0.65 0.00 0.00 174.74 174.20 3mhj s GLY 1032N 1.12 0.91 -0.10 1.59 0.00 -1.26 -0.75 107.32 108.84 3mhj s GLY 1032Ca -0.08 -0.84 -0.33 0.00 0.00 0.00 0.00 44.72 43.47 3mhj s GLY 1032CO -0.02 -0.75 1.35 -1.35 0.00 0.00 0.00 173.10 172.33 3mhj s SER 1033N -0.74 -0.04 0.00 1.64 1.04 -1.24 -4.45 113.70 109.91 3mhj s SER 1033Ca 0.06 -0.06 0.16 0.00 0.48 0.00 0.00 55.95 56.59 3mhj s SER 1033Cb -0.07 0.08 0.79 0.00 0.10 0.00 0.00 66.02 66.92 3mhj s SER 1033CO 0.00 -0.15 1.47 -2.65 0.98 0.00 0.00 173.24 172.89 3mhj n PRO 1034N -0.40 0.19 -0.04 4.02 -0.02 -1.19 -3.15 135.00 134.41 3mhj n PRO 1034Ca -0.07 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 61.68 3mhj n PRO 1034Cb 0.62 -1.50 0.50 0.00 -0.02 0.00 0.00 33.50 33.10 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 -1.32 0.10 -0.27 6.00 3.72 -1.26 -4.55 117.46 119.88 3mhj n PHE 1035Ca 0.07 -0.05 -0.04 0.00 -0.05 0.00 0.00 57.45 57.38 3mhj n PHE 1035Cb 0.14 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.74 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 1.62 1.19 -0.81 -4.37 2.07 -1.94 0.19 116.25 114.19 3mhj h VAL 1036Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3mhj h VAL 1036Cb 0.35 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 3mhj h VAL 1036CO 0.00 0.18 0.51 -1.13 0.02 0.00 0.00 177.57 177.16 3mhj h ASN 1037N 1.01 0.96 -0.61 0.57 -1.24 -1.89 -2.10 115.58 112.29 3mhj h ASN 1037Ca 0.28 -0.05 -0.09 0.00 0.71 0.00 0.00 56.30 57.15 3mhj h ASN 1037Cb -0.11 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.67 3mhj h ASN 1037CO -0.06 0.72 0.03 0.00 -1.29 0.00 0.00 177.43 176.83 3mhj h ALA 1038N 1.28 0.81 -0.71 1.57 0.00 -1.61 -3.24 119.26 117.36 3mhj h ALA 1038Ca 0.29 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3mhj h ALA 1038Cb -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3mhj h ALA 1038CO -0.06 0.63 0.29 0.82 0.00 0.00 0.00 179.25 180.93 3mhj h ILE 1039N 0.95 1.25 0.00 0.00 2.04 -0.20 0.89 117.51 122.44 3mhj h ILE 1039Ca 0.18 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3mhj h ILE 1039Cb 0.52 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3mhj h ILE 1039CO 0.02 0.31 -0.03 0.16 0.00 0.00 0.00 178.15 178.61 3mhj h ILE 1040N 1.01 0.09 0.07 -0.67 3.07 -1.42 0.17 117.51 119.83 3mhj h ILE 1040Ca 0.24 -0.51 -0.37 0.00 1.55 0.00 0.00 64.86 65.77 3mhj h ILE 1040Cb 0.19 1.47 -0.04 0.00 -0.27 0.00 0.00 36.82 38.17 3mhj h ILE 1040CO -0.02 0.03 -2.15 1.41 -1.05 0.00 0.00 178.15 176.37 3mhj n HIS 1041N -3.15 0.78 0.09 0.16 8.25 -0.92 -4.69 115.22 115.74 3mhj n HIS 1041Ca -0.00 0.18 0.01 0.00 -0.26 0.00 0.00 57.72 57.65 3mhj n HIS 1041Cb 0.29 -1.11 -0.00 0.00 1.12 0.00 0.00 29.99 30.28 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 -3.34 4.18 0.00 -0.41 4.76 0.26 -4.76 118.16 118.84 3mhj n LYS 1042Ca -0.35 -0.20 0.00 0.00 -2.87 0.00 0.00 58.31 54.89 3mhj n LYS 1042Cb 1.04 -0.73 0.00 0.00 -1.84 0.00 0.00 35.03 33.49 3mhj n LYS 1042CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mhj n GLY 1043N 0.76 -0.70 3.77 0.72 0.00 0.58 -4.90 105.19 105.42 3mhj n GLY 1043Ca 0.01 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.15 2.91 0.11 1.61 0.08 -1.26 -4.50 117.98 114.78 3mhj s PHE 1044Ca 0.00 1.50 -0.06 0.00 0.12 0.00 0.00 56.93 58.49 3mhj s PHE 1044Cb 0.00 -3.48 -0.02 0.00 -0.57 0.00 0.00 43.02 38.95 3mhj s PHE 1044CO 0.00 -1.65 0.15 0.34 -0.10 0.00 0.00 175.22 173.96 3mhj s ASP 1045N -1.09 0.20 0.55 1.36 3.68 -1.26 -4.35 116.67 115.76 3mhj s ASP 1045Ca 0.60 -0.87 0.43 0.00 2.13 0.00 0.00 52.55 54.83 3mhj s ASP 1045Cb -0.32 0.34 1.64 0.00 -1.45 0.00 0.00 42.92 43.12 3mhj s ASP 1045CO 0.41 -0.75 1.70 1.05 0.13 0.00 0.00 175.17 177.70 3mhj h GLU 1046N 2.78 0.00 0.00 4.34 9.09 -1.95 0.33 114.58 129.17 3mhj h GLU 1046Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.07 3mhj h GLU 1046Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 3mhj h GLU 1046CO 0.56 0.00 0.00 0.54 0.05 0.00 0.00 179.01 180.16 3mhj n ARG 1047N -4.07 0.15 -0.20 1.06 3.00 -1.26 -3.02 116.66 112.32 3mhj n ARG 1047Ca 0.34 0.44 0.07 0.00 -0.01 0.00 0.00 57.85 58.69 3mhj n ARG 1047Cb 1.59 -1.82 0.18 0.00 0.00 0.00 0.00 32.46 32.41 3mhj n ARG 1047CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3mhj n HIS 1048N -2.10 0.52 -0.40 -1.55 8.25 0.12 -4.97 115.22 115.08 3mhj n HIS 1048Ca 0.02 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 3mhj n HIS 1048Cb 0.18 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3mhj n HIS 1048CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mhj n ALA 1049N 0.76 0.00 -3.49 -1.41 0.00 -1.17 -4.68 120.51 110.53 3mhj n ALA 1049Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.35 3mhj n ALA 1049Cb 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.78 3mhj n ALA 1049CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3mhj s TYR 1050N -0.76 -0.05 -2.00 0.00 6.04 0.72 -4.87 117.35 116.43 3mhj s TYR 1050Ca 0.00 -0.40 0.07 0.00 0.04 0.00 0.00 57.07 56.78 3mhj s TYR 1050Cb 0.00 -0.64 0.44 0.00 -1.04 0.00 0.00 41.96 40.71 3mhj s TYR 1050CO 0.00 -0.79 0.85 -0.89 -1.54 0.00 0.00 175.55 173.18 3mhj n ILE 1051N 5.28 0.00 -0.05 3.14 -0.00 -1.26 -2.17 119.36 124.30 3mhj n ILE 1051Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 3mhj n ILE 1051Cb 0.45 -0.70 0.00 0.00 -0.00 0.00 0.00 39.64 39.39 3mhj n ILE 1051CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3mhj n GLY 1052N -0.31 0.45 3.66 7.39 0.00 -1.26 -4.61 105.19 110.51 3mhj n GLY 1052Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3mhj n GLY 1052CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mhj s GLY 1053N -0.43 1.58 0.57 -0.02 0.00 -0.92 -4.87 107.32 103.23 3mhj s GLY 1053Ca 0.00 -0.25 0.28 0.00 0.00 0.00 0.00 44.72 44.76 3mhj s GLY 1053CO 0.00 0.35 1.95 -0.33 0.00 0.00 0.00 173.10 175.07 3mhj h MET 1054N -1.92 0.00 -0.09 2.90 2.86 -1.99 -1.86 114.93 114.83 3mhj h MET 1054Ca -0.54 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.06 3mhj h MET 1054Cb 1.32 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.96 3mhj h MET 1054CO 0.56 0.00 -0.22 1.19 1.06 0.00 0.00 176.91 179.50 3mhj n PHE 1055N -3.96 0.30 -3.09 -0.22 3.72 -1.26 -5.09 117.46 107.86 3mhj n PHE 1055Ca 0.09 -1.30 0.00 0.00 -0.05 0.00 0.00 57.45 56.18 3mhj n PHE 1055Cb 0.63 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 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 -1.16 -1.82 3.57 1.37 0.00 -0.70 -4.80 105.19 101.65 3mhj n GLY 1056Ca 0.21 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 3mhj n GLY 1056CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhj s ALA 1057N -1.23 3.33 0.00 4.61 0.00 -1.26 -3.92 121.76 123.29 3mhj s ALA 1057Ca 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 49.05 3mhj s ALA 1057Cb 0.00 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.52 3mhj s ALA 1057CO 0.00 -3.28 0.00 0.41 0.00 0.00 0.00 175.76 172.89 3mhj n GLY 1058N 5.40 3.32 3.44 0.00 0.00 -1.26 -1.22 105.19 114.88 3mhj n GLY 1058Ca 0.47 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.35 3.89 -0.07 -0.61 1.01 0.12 -0.20 121.20 122.99 3mhj s ILE 1059Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 3mhj s ILE 1059Cb 0.00 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 3mhj s ILE 1059CO 0.00 0.43 0.08 -0.31 0.00 0.00 0.00 174.94 175.14 3mhj s TYR 1060N 1.00 3.37 0.09 3.97 1.51 -1.26 -1.51 117.35 124.51 3mhj s TYR 1060Ca 0.01 0.33 0.04 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 39.84 3mhj s TYR 1060CO 0.02 0.60 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.89 3mhj s PHE 1061N -1.04 1.04 0.04 2.71 0.08 -0.02 -4.76 117.98 116.02 3mhj s PHE 1061Ca 0.17 -0.61 0.05 0.00 0.12 0.00 0.00 56.93 56.67 3mhj s PHE 1061Cb -0.12 -0.57 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 3mhj s PHE 1061CO 0.07 -0.00 -0.16 0.00 -0.10 0.00 0.00 175.22 175.03 3mhj s ALA 1062N -2.14 1.31 0.18 5.36 0.00 0.14 -0.69 121.76 125.93 3mhj s ALA 1062Ca 0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 3mhj s ALA 1062Cb -0.05 -0.23 0.09 0.00 0.00 0.00 0.00 23.12 22.93 3mhj s ALA 1062CO 0.00 0.27 1.49 0.93 0.00 0.00 0.00 175.76 178.45 3mhj h GLU 1063N 4.99 0.55 -6.07 0.00 5.08 -1.68 0.22 114.58 117.68 3mhj h GLU 1063Ca -0.39 -0.36 -0.59 0.00 -1.00 0.00 0.00 59.36 57.01 3mhj h GLU 1063Cb 1.17 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.38 3mhj h GLU 1063CO 0.44 0.98 0.58 -0.80 -1.00 0.00 0.00 179.01 179.21 3mhj s ASN 1064N -6.93 6.65 0.41 1.42 0.02 -1.26 -4.82 114.94 110.43 3mhj s ASN 1064Ca -0.07 0.52 0.15 0.00 -1.02 0.00 0.00 52.86 52.43 3mhj s ASN 1064Cb 0.11 -2.46 1.02 0.00 0.02 0.00 0.00 41.25 39.94 3mhj s ASN 1064CO 0.84 -0.86 1.90 0.77 0.02 0.00 0.00 177.10 179.77 3mhj h SER 1065N 8.53 0.44 0.73 -1.22 4.64 -1.80 -1.10 113.55 123.76 3mhj h SER 1065Ca -0.23 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 3mhj h SER 1065Cb 1.08 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3mhj h SER 1065CO 0.98 0.22 -0.19 0.77 -0.87 0.00 0.00 176.83 177.74 3mhj h SER 1066N 0.46 0.00 -0.07 4.97 4.64 -1.88 0.02 113.55 121.68 3mhj h SER 1066Ca 0.40 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 3mhj h SER 1066Cb 0.88 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3mhj h SER 1066CO -0.14 0.19 0.02 0.50 -0.87 0.00 0.00 176.83 176.52 3mhj h LYS 1067N 0.00 0.12 -0.42 4.77 1.63 -1.51 -3.00 116.57 118.16 3mhj h LYS 1067Ca -0.00 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 3mhj h LYS 1067Cb 0.60 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 3mhj h LYS 1067CO 0.02 0.31 0.11 0.77 -3.45 0.00 0.00 179.45 177.22 3mhj h SER 1068N -0.10 0.57 -0.39 4.20 0.02 -1.29 -1.97 113.55 114.58 3mhj h SER 1068Ca 0.02 -0.08 0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3mhj h SER 1068Cb 0.25 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3mhj h SER 1068CO 0.00 0.56 0.27 -1.13 -1.14 0.00 0.00 176.83 175.39 3mhj h ASN 1069N 0.60 0.15 0.32 3.07 -1.24 -0.93 -1.32 115.58 116.23 3mhj h ASN 1069Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.15 3mhj h ASN 1069Cb 0.21 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.23 3mhj h ASN 1069CO -0.01 0.09 0.00 1.56 -1.29 0.00 0.00 177.43 177.79 3mhj h GLN 1070N 0.17 0.00 -0.01 6.67 4.20 -1.21 -2.96 115.11 121.96 3mhj h GLN 1070Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3mhj h GLN 1070Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3mhj h GLN 1070CO -0.03 0.00 -0.23 0.66 -0.67 0.00 0.00 178.83 178.56 3mhj n TYR 1071N -2.43 0.00 -0.36 2.96 4.01 -0.50 -2.24 117.16 118.60 3mhj n TYR 1071Ca -0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 3mhj n TYR 1071Cb 0.12 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.39 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 1.93 0.97 -0.67 -0.72 2.07 -1.55 -1.11 116.25 117.17 3mhj h VAL 1072Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3mhj h VAL 1072Cb 0.53 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3mhj h VAL 1072CO 0.00 0.19 0.00 -1.22 0.02 0.00 0.00 177.57 176.56 3mhj n TYR 1073N -4.58 1.23 0.00 1.57 4.01 -1.26 -3.20 117.16 114.93 3mhj n TYR 1073Ca 0.18 -0.53 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 3mhj n TYR 1073Cb 0.31 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 1.35 -0.88 3.73 2.72 0.00 -0.42 -3.42 105.19 108.27 3mhj n GLY 1074Ca 0.24 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 3mhj n GLY 1074CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mhj s ILE 1075N -0.84 2.09 -0.70 -0.61 -1.09 -1.26 -0.80 121.20 117.99 3mhj s ILE 1075Ca 0.00 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 3mhj s ILE 1075Cb 0.00 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 3mhj s ILE 1075CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 3mhj n GLY 1076N 3.35 0.78 2.77 6.18 0.00 -1.26 -1.73 105.19 115.28 3mhj n GLY 1076Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.83 0.93 7.00 -0.02 0.00 0.02 -4.35 105.19 107.94 3mhj n GLY 1077Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.09 3.10 1.65 -0.02 0.00 -0.71 -1.12 105.19 106.00 3mhj n GLY 1078Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 2.44 -3.30 2.61 -2.24 -1.26 -5.00 114.28 107.52 3mhj n THR 1079Ca 0.00 -1.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.36 3mhj n THR 1079Cb 0.00 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 0.58 -1.70 3.73 3.38 0.00 -0.28 -3.75 105.19 107.16 3mhj n GLY 1080Ca 0.26 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 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 0.47 0.00 0.10 0.00 0.11 -1.93 -1.05 132.00 129.70 3mhj h PRO 1082Ca -0.50 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 3mhj h PRO 1082Cb 1.33 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.45 3mhj h PRO 1082CO 0.53 0.28 -0.83 0.28 -0.21 0.00 0.00 178.00 178.04 3mhj h VAL 1083N 0.00 1.42 -0.01 3.15 2.07 -1.98 -3.39 116.25 117.51 3mhj h VAL 1083Ca -0.00 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.07 3mhj h VAL 1083Cb 0.51 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 3mhj h VAL 1083CO 0.04 0.67 -0.14 1.41 0.02 0.00 0.00 177.57 179.57 3mhj n HIS 1084N -4.19 0.00 -3.80 1.57 8.25 -1.25 -5.01 115.22 110.80 3mhj n HIS 1084Ca -0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.02 3mhj n HIS 1084Cb 0.77 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.92 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 -0.11 -6.12 -4.03 -0.41 4.76 -0.40 -4.93 118.16 106.92 3mhj n LYS 1085Ca 0.04 0.67 -0.31 0.00 -2.87 0.00 0.00 58.31 55.83 3mhj n LYS 1085Cb 0.19 -5.57 -0.16 0.00 -1.84 0.00 0.00 35.03 27.66 3mhj n LYS 1085CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3mhj s ASP 1086N -3.47 3.84 0.51 4.39 -1.08 -1.25 -4.63 116.67 114.99 3mhj s ASP 1086Ca 0.55 -1.10 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 3mhj s ASP 1086Cb -0.26 -1.39 1.33 0.00 -1.46 0.00 0.00 42.92 41.14 3mhj s ASP 1086CO 0.80 -0.16 1.99 0.03 0.52 0.00 0.00 175.17 178.36 3mhj h ARG 1087N 7.89 0.00 -0.87 4.34 3.08 -1.89 -2.28 114.38 124.66 3mhj h ARG 1087Ca -0.25 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.34 3mhj h ARG 1087Cb 1.08 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.86 3mhj h ARG 1087CO 0.48 0.12 0.51 0.45 -1.07 0.00 0.00 179.97 180.46 3mhj n SER 1088N -3.40 3.62 -4.71 7.04 2.88 -1.26 -3.26 113.62 114.53 3mhj n SER 1088Ca -0.01 -3.66 -0.42 0.00 -1.33 0.00 0.00 58.87 53.46 3mhj n SER 1088Cb 0.30 -0.80 -0.03 0.00 -0.75 0.00 0.00 64.21 62.93 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 4.25 0.00 -0.13 0.00 4.01 -1.26 -4.56 117.16 119.47 3mhj n TYR 1090Ca 0.15 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.63 3mhj n TYR 1090Cb 0.37 -0.01 -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 0.70 1.45 -2.21 -0.72 5.41 -1.26 -4.78 119.36 117.95 3mhj n ILE 1091Ca 0.13 -0.32 -0.39 0.00 1.00 0.00 0.00 62.75 63.17 3mhj n ILE 1091Cb 0.52 -1.90 -0.02 0.00 -0.71 0.00 0.00 39.64 37.52 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 -1.27 3.50 0.23 0.00 3.76 -1.26 -4.70 115.29 115.55 3mhj s HIS 1093Ca 0.53 1.57 0.10 0.00 -0.15 0.00 0.00 55.06 57.11 3mhj s HIS 1093Cb -0.35 -3.36 -0.04 0.00 1.11 0.00 0.00 32.58 29.94 3mhj s HIS 1093CO 0.45 -0.86 -0.09 1.03 -0.85 0.00 0.00 174.74 174.42 3mhj s ARG 1094N -0.84 2.03 -0.01 1.40 0.52 0.70 -4.94 118.95 117.81 3mhj s ARG 1094Ca 0.49 -1.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.29 3mhj s ARG 1094Cb -0.32 -2.07 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 3mhj s ARG 1094CO 0.39 0.39 -0.10 -0.65 0.02 0.00 0.00 175.30 175.34 3mhj s GLN 1095N -3.25 0.87 0.15 3.54 -0.21 -1.26 -1.07 119.66 118.43 3mhj s GLN 1095Ca 0.28 -0.37 0.07 0.00 0.02 0.00 0.00 55.36 55.36 3mhj s GLN 1095Cb -0.07 -0.84 -0.04 0.00 1.00 0.00 0.00 33.01 33.06 3mhj s GLN 1095CO 0.16 0.22 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.89 3mhj s LEU 1096N -0.21 2.43 -0.13 2.90 1.43 -0.35 -4.67 118.68 120.08 3mhj s LEU 1096Ca 0.03 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.22 3mhj s LEU 1096Cb -0.04 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 3mhj s LEU 1096CO -0.00 -0.11 0.09 -0.76 0.23 0.00 0.00 176.35 175.80 3mhj s LEU 1097N -2.63 4.08 -0.28 1.79 1.43 0.07 -0.85 118.68 122.29 3mhj s LEU 1097Ca 0.13 0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.47 3mhj s LEU 1097Cb -0.05 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3mhj s LEU 1097CO 0.05 0.34 0.06 0.12 0.23 0.00 0.00 176.35 177.14 3mhj s PHE 1098N -0.60 3.12 0.08 0.29 5.36 -0.30 -0.99 117.98 124.94 3mhj s PHE 1098Ca 0.12 -0.94 0.09 0.00 -0.96 0.00 0.00 56.93 55.24 3mhj s PHE 1098Cb -0.12 -2.23 -0.03 0.00 -0.34 0.00 0.00 43.02 40.30 3mhj s PHE 1098CO 0.02 -0.56 -0.25 0.00 -1.46 0.00 0.00 175.22 172.97 3mhj s ARG 1100N -1.53 4.12 -0.09 0.00 3.52 -0.16 -1.06 118.95 123.74 3mhj s ARG 1100Ca 0.11 0.55 0.02 0.00 -0.13 0.00 0.00 55.73 56.28 3mhj s ARG 1100Cb -0.10 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.66 3mhj s ARG 1100CO 0.03 -0.39 -0.14 0.08 -0.81 0.00 0.00 175.30 174.07 3mhj s VAL 1101N 2.44 1.35 -0.32 7.11 1.01 0.16 -0.44 120.40 131.72 3mhj s VAL 1101Ca 0.26 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 3mhj s VAL 1101Cb -0.16 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 3mhj s VAL 1101CO 0.09 0.41 0.65 -0.89 0.00 0.00 0.00 175.10 175.35 3mhj s THR 1102N 0.88 4.91 -0.11 3.92 2.01 -0.21 -0.86 115.64 126.17 3mhj s THR 1102Ca -0.10 0.81 0.17 0.00 0.31 0.00 0.00 61.69 62.87 3mhj s THR 1102Cb -0.15 -4.04 -0.19 0.00 0.01 0.00 0.00 72.50 68.13 3mhj s THR 1102CO 0.01 -0.21 0.62 0.18 -0.69 0.00 0.00 174.62 174.53 3mhj n LEU 1103N 5.97 0.63 0.00 4.42 4.77 -0.76 -4.91 117.00 127.11 3mhj n LEU 1103Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3mhj n LEU 1103Cb 0.49 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3mhj n LEU 1103CO 0.47 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3mhj n GLY 1104N 1.49 2.31 3.61 -0.72 0.00 -0.01 -3.60 105.19 108.27 3mhj n GLY 1104Ca -0.15 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 3.76 -0.15 1.61 2.20 -1.26 -4.70 119.74 121.19 3mhj s LYS 1105Ca 0.00 0.71 -0.08 0.00 -0.36 0.00 0.00 55.97 56.25 3mhj s LYS 1105Cb 0.00 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.38 3mhj s LYS 1105CO 0.00 -1.34 0.11 0.45 -0.36 0.00 0.00 175.35 174.21 3mhj s SER 1106N 2.58 6.07 -0.21 1.43 0.15 -1.26 0.03 113.70 122.50 3mhj s SER 1106Ca 0.50 0.29 -0.29 0.00 0.70 0.00 0.00 55.95 57.14 3mhj s SER 1106Cb -0.09 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 3mhj s SER 1106CO 0.29 0.29 1.12 0.12 1.20 0.00 0.00 173.24 176.26 3mhj s PHE 1107N -0.30 3.17 -0.26 3.44 5.36 -0.05 -4.81 117.98 124.53 3mhj s PHE 1107Ca 0.10 1.31 -0.24 0.00 -0.96 0.00 0.00 56.93 57.15 3mhj s PHE 1107Cb -0.12 -3.35 -0.01 0.00 -0.34 0.00 0.00 43.02 39.21 3mhj s PHE 1107CO 0.01 -0.90 0.79 -0.51 -1.46 0.00 0.00 175.22 173.15 3mhj s LEU 1108N 3.30 4.08 -0.27 6.12 1.43 -1.26 -0.37 118.68 131.71 3mhj s LEU 1108Ca 0.48 0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 54.40 3mhj s LEU 1108Cb -0.17 -3.10 0.01 0.00 0.03 0.00 0.00 46.19 42.96 3mhj s LEU 1108CO 0.09 -0.52 0.01 -1.58 0.23 0.00 0.00 176.35 174.57 3mhj s GLN 1109N 2.83 3.05 0.05 1.70 2.00 0.34 -4.97 119.66 124.65 3mhj s GLN 1109Ca 0.33 -0.86 -0.30 0.00 -2.00 0.00 0.00 55.36 52.53 3mhj s GLN 1109Cb -0.15 -3.17 -0.04 0.00 0.80 0.00 0.00 33.01 30.45 3mhj s GLN 1109CO 0.09 -0.39 0.98 -0.06 -0.50 0.00 0.00 175.29 175.41 3mhj s PHE 1110N 1.43 3.72 0.00 1.67 0.08 -1.26 -0.44 117.98 123.18 3mhj s PHE 1110Ca 0.02 1.74 0.02 0.00 0.12 0.00 0.00 56.93 58.83 3mhj s PHE 1110Cb -0.16 -3.10 -0.01 0.00 -0.57 0.00 0.00 43.02 39.18 3mhj s PHE 1110CO -0.01 0.06 -0.07 -1.54 -0.10 0.00 0.00 175.22 173.57 3mhj s SER 1111N 0.58 0.79 0.11 1.36 1.04 0.21 -4.87 113.70 112.92 3mhj s SER 1111Ca 0.50 -0.17 0.09 0.00 0.48 0.00 0.00 55.95 56.85 3mhj s SER 1111Cb -0.22 -0.07 -0.18 0.00 0.10 0.00 0.00 66.02 65.65 3mhj s SER 1111CO 0.29 0.05 1.20 0.00 0.98 0.00 0.00 173.24 175.76 3mhj h ALA 1112N 5.82 0.46 0.00 5.32 0.00 -1.92 0.35 119.26 129.28 3mhj h ALA 1112Ca -0.30 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.68 3mhj h ALA 1112Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3mhj h ALA 1112CO 0.49 1.21 0.00 0.00 0.00 0.00 0.00 179.25 180.95 3mhj n ALA 1116N -2.36 0.00 -2.58 0.00 0.00 -0.35 -4.98 120.51 110.23 3mhj n ALA 1116Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.14 3mhj n ALA 1116Cb 0.93 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.29 3mhj n ALA 1116CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3mhj s HIS 1117N -0.17 2.67 0.74 0.00 3.76 -1.26 -4.90 115.29 116.14 3mhj s HIS 1117Ca 0.00 -0.20 -0.13 0.00 -0.15 0.00 0.00 55.06 54.58 3mhj s HIS 1117Cb 0.00 -1.33 0.04 0.00 1.11 0.00 0.00 32.58 32.40 3mhj s HIS 1117CO 0.00 0.49 1.11 -1.54 -0.85 0.00 0.00 174.74 173.96 3mhj s SER 1118N -2.70 4.57 0.43 1.40 1.04 -1.26 -4.94 113.70 112.23 3mhj s SER 1118Ca 0.24 1.98 -0.25 0.00 0.48 0.00 0.00 55.95 58.40 3mhj s SER 1118Cb -0.09 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.39 3mhj s SER 1118CO 0.15 -2.00 1.16 -2.65 0.98 0.00 0.00 173.24 170.88 3mhj n PRO 1119N -3.07 1.65 -1.57 4.02 -0.02 -1.26 -4.82 135.00 129.92 3mhj n PRO 1119Ca 0.10 0.59 -0.53 0.00 -2.02 0.00 0.00 63.50 61.64 3mhj n PRO 1119Cb 0.52 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 3mhj n PRO 1119CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3mhj n PRO 1120N 0.01 0.90 -0.79 0.52 -0.02 -1.26 -1.33 135.00 133.03 3mhj n PRO 1120Ca 0.08 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3mhj n PRO 1120Cb 0.40 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3mhj n PRO 1120CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mhj n GLY 1121N 2.27 0.67 3.27 -1.23 0.00 -1.26 -5.04 105.19 103.87 3mhj n GLY 1121Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.33 1.44 -0.82 1.61 3.76 -0.44 -4.89 115.29 113.62 3mhj s HIS 1122Ca 0.00 -0.63 0.09 0.00 -0.15 0.00 0.00 55.06 54.37 3mhj s HIS 1122Cb 0.00 -0.72 0.00 0.00 1.11 0.00 0.00 32.58 32.97 3mhj s HIS 1122CO 0.00 0.18 0.60 0.72 -0.85 0.00 0.00 174.74 175.39 3mhj n HIS 1123N 0.05 0.00 -3.77 1.40 8.25 0.10 -4.60 115.22 116.65 3mhj n HIS 1123Ca -0.12 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.31 3mhj n HIS 1123Cb 0.59 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.70 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 -1.20 -0.12 -0.01 0.41 1.04 -1.23 -4.58 113.70 108.01 3mhj s SER 1124Ca 0.07 -0.44 0.07 0.00 0.48 0.00 0.00 55.95 56.13 3mhj s SER 1124Cb 0.07 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 3mhj s SER 1124CO 0.21 -0.86 -0.23 -0.69 0.98 0.00 0.00 173.24 172.65 3mhj s VAL 1125N -2.93 1.82 -0.20 5.02 1.01 -0.33 -0.87 120.40 123.92 3mhj s VAL 1125Ca 0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 3mhj s VAL 1125Cb -0.01 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3mhj s VAL 1125CO 0.02 0.48 -0.02 -0.89 0.00 0.00 0.00 175.10 174.69 3mhj s THR 1126N -0.57 3.71 -0.54 3.92 2.01 0.50 -1.01 115.64 123.65 3mhj s THR 1126Ca 0.09 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.49 3mhj s THR 1126Cb -0.09 -2.67 0.06 0.00 0.01 0.00 0.00 72.50 69.81 3mhj s THR 1126CO -0.01 0.43 0.74 -0.83 -0.69 0.00 0.00 174.62 174.27 3mhj s GLY 1127N 1.13 1.65 -0.17 4.40 0.00 0.81 -0.50 107.32 114.64 3mhj s GLY 1127Ca 0.02 -1.69 -0.22 0.00 0.00 0.00 0.00 44.72 42.83 3mhj s GLY 1127CO 0.01 1.67 0.67 -1.60 0.00 0.00 0.00 173.10 173.85 3mhj s ARG 1128N 3.08 4.27 0.17 2.90 3.52 0.41 -2.22 118.95 131.08 3mhj s ARG 1128Ca 0.19 0.72 -0.32 0.00 -0.13 0.00 0.00 55.73 56.19 3mhj s ARG 1128Cb -0.18 -3.55 -0.11 0.00 -1.56 0.00 0.00 34.95 29.55 3mhj s ARG 1128CO 0.13 -0.19 1.70 -1.25 -0.81 0.00 0.00 175.30 174.87 3mhj s PRO 1129N 1.72 4.15 0.00 5.12 0.04 -1.26 -0.62 135.00 144.15 3mhj s PRO 1129Ca 0.32 2.52 0.02 0.00 0.04 0.00 0.00 61.00 63.90 3mhj s PRO 1129Cb -0.16 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.20 3mhj s PRO 1129CO 0.12 -0.73 0.90 -1.13 0.04 0.00 0.00 177.00 176.20 3mhj n SER 1130N 4.36 1.86 0.04 6.66 3.41 0.12 -4.76 113.62 125.30 3mhj n SER 1130Ca 0.16 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 3mhj n SER 1130Cb 0.37 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.23 0.11 -2.54 -3.33 0.31 -1.26 -4.95 118.33 106.45 3mhj n VAL 1131Ca 0.01 0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.97 3mhj n VAL 1131Cb 0.21 -0.79 -0.03 0.00 -0.91 0.00 0.00 33.84 32.32 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 -5.09 6.17 0.41 4.52 3.84 -1.26 -4.87 114.94 118.66 3mhj s ASN 1132Ca 0.00 -0.34 0.28 0.00 0.21 0.00 0.00 52.86 53.00 3mhj s ASN 1132Cb 0.00 -2.56 1.47 0.00 -0.55 0.00 0.00 41.25 39.62 3mhj s ASN 1132CO 0.00 -1.81 1.84 1.23 -2.79 0.00 0.00 177.10 175.57 3mhj h GLY 1133N 13.00 0.00 -0.00 1.21 0.00 -1.94 -2.53 103.07 112.81 3mhj h GLY 1133Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3mhj h GLY 1133CO 1.27 0.00 -0.93 1.04 0.00 0.00 0.00 176.54 177.91 3mhj n LEU 1134N -2.47 1.04 -4.76 3.11 4.77 -1.26 -4.96 117.00 112.46 3mhj n LEU 1134Ca -0.02 -0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 55.07 3mhj n LEU 1134Cb 0.06 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3mhj n LEU 1134CO 0.13 0.25 0.89 0.00 -1.33 0.00 0.00 177.39 177.33 3mhj s ALA 1135N -2.96 3.46 0.67 -1.18 0.00 -0.96 -5.04 121.76 115.76 3mhj s ALA 1135Ca 0.09 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 53.07 3mhj s ALA 1135Cb 0.16 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.94 3mhj s ALA 1135CO 0.84 -0.40 0.96 -0.51 0.00 0.00 0.00 175.76 176.65 3mhj s LEU 1136N -1.30 2.94 0.76 0.00 1.43 -1.26 -4.76 118.68 116.49 3mhj s LEU 1136Ca 0.48 0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 53.75 3mhj s LEU 1136Cb -0.35 -2.94 0.05 0.00 0.03 0.00 0.00 46.19 42.97 3mhj s LEU 1136CO 0.45 -1.54 1.09 0.00 0.23 0.00 0.00 176.35 176.58 3mhj s ALA 1137N -3.14 2.27 0.19 4.21 0.00 -1.26 -4.69 121.76 119.34 3mhj s ALA 1137Ca 0.60 0.30 0.09 0.00 0.00 0.00 0.00 51.96 52.95 3mhj s ALA 1137Cb -0.10 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3mhj s ALA 1137CO 0.43 -1.73 -0.18 -1.21 0.00 0.00 0.00 175.76 173.07 3mhj s GLU 1138N -4.82 1.35 0.03 0.00 2.02 -0.94 -1.85 118.70 114.48 3mhj s GLU 1138Ca 0.62 -1.50 0.01 0.00 0.02 0.00 0.00 54.97 54.12 3mhj s GLU 1138Cb -0.18 -1.37 -0.02 0.00 0.10 0.00 0.00 34.13 32.67 3mhj s GLU 1138CO 0.55 0.27 -0.05 0.71 0.02 0.00 0.00 175.26 176.76 3mhj s TYR 1139N -2.28 0.40 -0.05 1.61 2.02 0.14 -0.13 117.35 119.05 3mhj s TYR 1139Ca 0.19 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 3mhj s TYR 1139Cb -0.05 -0.26 0.01 0.00 -0.40 0.00 0.00 41.96 41.26 3mhj s TYR 1139CO 0.08 -0.15 -0.11 0.08 -1.57 0.00 0.00 175.55 173.88 3mhj s VAL 1140N -1.38 1.02 0.24 0.71 1.01 -0.18 -0.84 120.40 120.98 3mhj s VAL 1140Ca -0.13 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.52 3mhj s VAL 1140Cb -0.10 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3mhj s VAL 1140CO -0.00 0.33 -0.10 0.27 0.00 0.00 0.00 175.10 175.59 3mhj s ILE 1141N 0.58 3.02 -0.61 2.22 -4.36 -0.57 -1.19 121.20 120.29 3mhj s ILE 1141Ca -0.12 -1.97 0.05 0.00 -0.26 0.00 0.00 60.65 58.35 3mhj s ILE 1141Cb -0.14 -2.56 0.05 0.00 1.25 0.00 0.00 42.46 41.06 3mhj s ILE 1141CO 0.03 -0.27 0.71 -1.22 0.24 0.00 0.00 174.94 174.43 3mhj n TYR 1142N -0.42 0.02 -4.21 1.37 4.01 -1.26 -0.70 117.16 115.97 3mhj n TYR 1142Ca -0.08 -0.06 -0.25 0.00 -0.16 0.00 0.00 57.90 57.35 3mhj n TYR 1142Cb 0.58 -0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.44 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 -0.49 1.51 0.56 -0.72 1.81 -1.26 -4.88 118.95 115.48 3mhj s ARG 1143Ca 0.06 -0.30 0.28 0.00 -1.72 0.00 0.00 55.73 54.06 3mhj s ARG 1143Cb 0.04 -1.43 1.66 0.00 -0.45 0.00 0.00 34.95 34.78 3mhj s ARG 1143CO 0.06 -0.13 2.18 0.78 -0.68 0.00 0.00 175.30 177.52 3mhj h GLY 1144N 7.59 0.00 2.00 -3.53 0.00 -1.92 -1.80 103.07 105.41 3mhj h GLY 1144Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3mhj h GLY 1144CO 0.44 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.16 3mhj n GLU 1145N -3.80 0.04 -0.19 4.80 4.71 -1.26 -2.76 120.64 122.18 3mhj n GLU 1145Ca -0.03 0.33 0.04 0.00 -0.01 0.00 0.00 57.16 57.49 3mhj n GLU 1145Cb 0.14 -1.57 0.13 0.00 -1.01 0.00 0.00 31.44 29.13 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 -1.64 1.83 -3.88 3.49 6.02 -0.68 -4.10 117.38 118.41 3mhj n GLN 1146Ca 0.03 -1.05 -0.11 0.00 -0.01 0.00 0.00 57.00 55.85 3mhj n GLN 1146Cb 0.15 -1.34 -0.11 0.00 1.02 0.00 0.00 30.24 29.96 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 -1.63 -0.19 -0.10 -1.58 0.00 -1.11 -1.04 121.76 116.10 3mhj s ALA 1147Ca 0.19 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.09 3mhj s ALA 1147Cb 0.11 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.26 3mhj s ALA 1147CO 0.11 -0.14 -0.17 -0.47 0.00 0.00 0.00 175.76 175.10 3mhj s TYR 1148N -0.86 2.00 -0.94 0.00 5.04 0.41 -4.74 117.35 118.27 3mhj s TYR 1148Ca -0.09 -0.87 -0.24 0.00 -2.44 0.00 0.00 57.07 53.42 3mhj s TYR 1148Cb -0.06 -1.41 0.04 0.00 0.35 0.00 0.00 41.96 40.88 3mhj s TYR 1148CO 0.00 -0.42 1.46 -1.25 -1.34 0.00 0.00 175.55 174.01 3mhj s PRO 1149N 0.76 3.39 0.02 4.97 0.04 -1.26 -0.99 135.00 141.93 3mhj s PRO 1149Ca -0.11 -0.80 -0.19 0.00 0.04 0.00 0.00 61.00 59.94 3mhj s PRO 1149Cb -0.16 -5.04 -0.23 0.00 0.04 0.00 0.00 34.50 29.12 3mhj s PRO 1149CO 0.02 -2.31 1.13 0.93 0.04 0.00 0.00 177.00 176.81 3mhj h GLU 1150N 10.12 0.46 -5.17 4.56 4.39 -1.76 -3.40 114.58 123.78 3mhj h GLU 1150Ca 0.07 -0.48 -0.49 0.00 0.34 0.00 0.00 59.36 58.80 3mhj h GLU 1150Cb 1.02 0.13 -0.30 0.00 -0.10 0.00 0.00 28.75 29.50 3mhj h GLU 1150CO 1.37 1.12 -0.81 0.71 -1.16 0.00 0.00 179.01 180.24 3mhj s TYR 1151N -3.29 1.31 -0.24 4.33 2.02 -0.56 -1.01 117.35 119.89 3mhj s TYR 1151Ca -0.13 -0.29 -0.07 0.00 -0.37 0.00 0.00 57.07 56.21 3mhj s TYR 1151Cb 0.04 -0.87 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 3mhj s TYR 1151CO 0.84 -0.07 0.06 -1.17 -1.57 0.00 0.00 175.55 173.64 3mhj s LEU 1152N -0.15 3.40 -0.19 -1.29 2.96 0.09 -1.15 118.68 122.35 3mhj s LEU 1152Ca 0.02 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3mhj s LEU 1152Cb -0.07 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 3mhj s LEU 1152CO 0.00 -0.03 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.27 3mhj s ILE 1153N 1.57 2.94 -0.15 6.68 1.01 -0.03 -0.98 121.20 132.24 3mhj s ILE 1153Ca 0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 3mhj s ILE 1153Cb -0.15 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 3mhj s ILE 1153CO 0.03 0.48 -0.02 -0.89 0.00 0.00 0.00 174.94 174.54 3mhj s THR 1154N 1.16 4.06 0.21 2.92 2.01 -0.10 -1.21 115.64 124.69 3mhj s THR 1154Ca 0.01 -0.30 -0.21 0.00 0.31 0.00 0.00 61.69 61.50 3mhj s THR 1154Cb -0.14 -2.77 0.04 0.00 0.01 0.00 0.00 72.50 69.63 3mhj s THR 1154CO -0.04 0.50 0.62 -0.72 -0.69 0.00 0.00 174.62 174.30 3mhj s TYR 1155N 0.21 -0.31 0.16 4.92 -0.85 -0.24 -0.42 117.35 120.83 3mhj s TYR 1155Ca -0.01 -0.03 0.10 0.00 -0.52 0.00 0.00 57.07 56.62 3mhj s TYR 1155Cb -0.14 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 3mhj s TYR 1155CO 0.02 -1.01 -0.21 -0.65 -1.52 0.00 0.00 175.55 172.19 3mhj s GLN 1156N -3.84 1.64 0.44 -3.49 -0.21 -0.48 -0.22 119.66 113.50 3mhj s GLN 1156Ca 0.07 -1.38 -0.21 0.00 0.02 0.00 0.00 55.36 53.86 3mhj s GLN 1156Cb -0.03 -1.97 -0.10 0.00 1.00 0.00 0.00 33.01 31.91 3mhj s GLN 1156CO -0.03 0.43 0.98 0.96 -2.12 0.00 0.00 175.29 175.51 3mhj s ILE 1157N -1.45 4.21 -0.12 1.08 -4.36 -1.26 -1.07 121.20 118.22 3mhj s ILE 1157Ca 0.20 1.38 -0.04 0.00 -0.26 0.00 0.00 60.65 61.93 3mhj s ILE 1157Cb -0.09 -3.56 -0.04 0.00 1.25 0.00 0.00 42.46 40.02 3mhj s ILE 1157CO 0.10 -0.29 0.03 -0.04 0.24 0.00 0.00 174.94 174.98 3mhj s MET 1158N -3.18 3.39 0.02 0.37 -1.94 -0.90 -4.67 119.30 112.38 3mhj s MET 1158Ca 0.63 -0.36 -0.30 0.00 -1.71 0.00 0.00 55.69 53.95 3mhj s MET 1158Cb -0.11 -2.97 -0.07 0.00 2.01 0.00 0.00 34.83 33.68 3mhj s MET 1158CO 0.15 0.55 1.61 0.50 -0.01 0.00 0.00 175.02 177.82 3mhj s ARG 1159N -0.45 4.21 0.53 2.03 3.52 -1.26 -4.34 118.95 123.18 3mhj s ARG 1159Ca 0.09 2.23 -0.23 0.00 -0.13 0.00 0.00 55.73 57.69 3mhj s ARG 1159Cb -0.12 -3.70 -0.06 0.00 -1.56 0.00 0.00 34.95 29.51 3mhj s ARG 1159CO 0.02 -0.74 1.39 -2.30 -0.81 0.00 0.00 175.30 172.86 3mhj n PRO 1160N 5.99 1.84 0.00 5.12 -0.02 -1.26 -5.01 135.00 141.65 3mhj n PRO 1160Ca 0.16 0.67 0.16 0.00 -2.02 0.00 0.00 63.50 62.47 3mhj n PRO 1160Cb 0.42 -2.60 0.94 0.00 -0.02 0.00 0.00 33.50 32.24 3mhj n PRO 1160CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87