#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3myi s VAL 962 N 0.00 1.55 -0.64 0.52 -7.23 -1.26 -4.42 120.40 108.92 3myi s VAL 962 Ca 0.00 -1.83 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 3myi s VAL 962 Cb 0.00 -1.69 0.03 0.00 0.56 0.00 0.00 36.38 35.27 3myi s VAL 962 CO 0.00 -0.39 1.26 0.21 -0.31 0.00 0.00 175.10 175.87 3myi s ASN 963 N -2.60 6.29 0.20 4.85 2.47 -0.60 -4.93 114.94 120.62 3myi s ASN 963 Ca 0.13 -0.07 -0.12 0.00 0.42 0.00 0.00 52.86 53.22 3myi s ASN 963 Cb -0.05 -2.55 0.24 0.00 -1.45 0.00 0.00 41.25 37.44 3myi s ASN 963 CO 0.05 -1.65 1.70 0.06 -3.72 0.00 0.00 177.10 173.53 3myi h GLN 964 N 9.97 0.20 0.00 0.43 3.07 -1.98 -2.36 115.11 124.44 3myi h GLN 964 Ca -0.26 -0.01 -0.07 0.00 0.09 0.00 0.00 58.65 58.39 3myi h GLN 964 Cb 1.06 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.56 3myi h GLN 964 CO 1.22 0.13 -0.34 -1.00 0.09 0.00 0.00 178.83 178.94 3myi h PRO 965 N 0.21 0.00 -0.20 0.06 0.13 -1.99 0.81 132.00 131.01 3myi h PRO 965 Ca 0.28 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.32 3myi h PRO 965 Cb 0.42 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 3myi h PRO 965 CO -0.40 0.34 -0.24 0.82 -0.23 0.00 0.00 178.00 178.29 3myi h ILE 966 N 0.00 1.33 -0.83 -3.56 2.04 -1.80 -1.60 117.51 113.09 3myi h ILE 966 Ca -0.00 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.43 3myi h ILE 966 Cb 0.59 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3myi h ILE 966 CO 0.04 0.43 0.51 0.25 0.00 0.00 0.00 178.15 179.39 3myi h LEU 967 N 0.19 0.99 -0.54 1.44 5.85 -1.10 -0.73 115.31 121.41 3myi h LEU 967 Ca 0.03 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3myi h LEU 967 Cb 0.80 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3myi h LEU 967 CO 0.06 0.75 0.20 0.00 -0.34 0.00 0.00 178.44 179.12 3myi h ALA 968 N 1.28 0.70 -0.69 1.25 0.00 -0.76 -0.18 119.26 120.87 3myi h ALA 968 Ca 0.30 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3myi h ALA 968 Cb -0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 3myi h ALA 968 CO -0.06 0.33 0.40 0.00 0.00 0.00 0.00 179.25 179.92 3myi h ALA 969 N 1.06 0.92 -0.17 0.00 0.00 -1.03 0.02 119.26 120.06 3myi h ALA 969 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3myi h ALA 969 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3myi h ALA 969 CO -0.01 0.11 0.10 0.00 0.00 0.00 0.00 179.25 179.45 3myi h ALA 970 N 1.34 0.21 -0.63 0.00 0.00 -0.67 -2.58 119.26 116.93 3myi h ALA 970 Ca 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3myi h ALA 970 Cb 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3myi h ALA 970 CO -0.16 -0.28 0.22 1.96 0.00 0.00 0.00 179.25 181.00 3myi h GLN 971 N 0.20 0.95 -0.46 0.00 4.20 -0.85 -1.20 115.11 117.95 3myi h GLN 971 Ca 0.06 -0.17 0.06 0.00 0.06 0.00 0.00 58.65 58.66 3myi h GLN 971 Cb 0.02 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.59 3myi h GLN 971 CO -0.01 0.80 0.15 1.03 -0.67 0.00 0.00 178.83 180.13 3myi h SER 972 N 0.92 0.14 -0.38 1.46 0.87 -0.79 -0.72 113.55 115.06 3myi h SER 972 Ca 0.21 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.70 3myi h SER 972 Cb 0.23 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3myi h SER 972 CO -0.01 0.11 -0.25 0.25 -0.53 0.00 0.00 176.83 176.40 3myi h LEU 973 N 0.32 0.87 -0.87 2.23 5.85 -1.19 -3.03 115.31 119.48 3myi h LEU 973 Ca 0.22 -0.43 0.14 0.00 0.84 0.00 0.00 57.88 58.65 3myi h LEU 973 Cb 0.23 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 40.92 3myi h LEU 973 CO -0.23 1.11 0.47 -0.74 -0.34 0.00 0.00 178.44 178.72 3myi h HIS 974 N 0.64 0.84 -0.52 1.25 2.76 -0.84 -0.03 115.15 119.24 3myi h HIS 974 Ca 0.08 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3myi h HIS 974 Cb 0.82 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 3myi h HIS 974 CO 0.06 0.23 0.20 0.00 -1.30 0.00 0.00 177.93 177.12 3myi h ARG 975 N 0.69 0.79 -0.09 5.26 3.08 -1.02 -0.16 114.38 122.92 3myi h ARG 975 Ca 0.47 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.34 3myi h ARG 975 Cb 0.63 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3myi h ARG 975 CO -0.34 0.71 -0.05 1.49 -1.07 0.00 0.00 179.97 180.70 3myi h GLU 976 N 0.71 0.20 -0.25 0.04 4.57 -1.37 -3.25 114.58 115.23 3myi h GLU 976 Ca 0.17 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 3myi h GLU 976 Cb 0.22 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3myi h GLU 976 CO -0.01 0.56 -0.06 0.00 -1.18 0.00 0.00 179.01 178.32 3myi h ALA 977 N 0.63 1.44 -0.11 2.92 0.00 -0.82 -2.21 119.26 121.11 3myi h ALA 977 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3myi h ALA 977 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3myi h ALA 977 CO 0.01 0.39 0.00 0.25 0.00 0.00 0.00 179.25 179.91 3myi n THR 978 N -4.28 0.14 0.26 0.00 -2.24 -0.09 -2.57 114.28 105.51 3myi n THR 978 Ca 0.00 -0.16 0.13 0.00 -2.27 0.00 0.00 64.05 61.76 3myi n THR 978 Cb 0.25 0.05 0.70 0.00 -2.10 0.00 0.00 70.33 69.23 3myi n THR 978 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3myi h LYS 979 N 0.74 0.00 -5.13 -0.78 1.57 -1.43 -3.44 116.57 108.11 3myi h LYS 979 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 3myi h LYS 979 Cb 0.17 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.33 3myi h LYS 979 CO 0.00 0.12 -0.72 -1.58 -0.57 0.00 0.00 179.45 176.70 3myi s TRP 980 N -4.00 1.31 0.39 -1.35 0.51 -1.06 -1.56 118.94 113.17 3myi s TRP 980 Ca -0.02 -0.73 -0.23 0.00 -2.12 0.00 0.00 56.10 53.00 3myi s TRP 980 Cb 0.12 -0.66 -0.10 0.00 -0.81 0.00 0.00 33.47 32.02 3myi s TRP 980 CO 0.58 0.11 0.96 0.45 -0.51 0.00 0.00 176.95 178.54 3myi s SER 981 N -3.12 7.06 0.33 2.95 0.15 -0.65 -4.83 113.70 115.58 3myi s SER 981 Ca 0.16 1.78 0.24 0.00 0.70 0.00 0.00 55.95 58.84 3myi s SER 981 Cb 0.02 -2.56 0.43 0.00 -1.71 0.00 0.00 66.02 62.19 3myi s SER 981 CO 0.01 -0.27 1.57 0.28 1.20 0.00 0.00 173.24 176.03 3myi h SER 982 N 2.43 0.00 -2.13 5.45 0.02 -1.93 -3.42 113.55 113.98 3myi h SER 982 Ca -0.48 -0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 59.89 3myi h SER 982 Cb 1.19 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.74 3myi h SER 982 CO 0.63 0.01 1.40 -0.54 -1.14 0.00 0.00 176.83 177.19 3myi s LYS 983 N -3.20 3.48 -1.05 3.45 3.01 -1.26 -0.43 119.74 123.74 3myi s LYS 983 Ca 0.07 2.23 0.00 0.00 -1.01 0.00 0.00 55.97 57.26 3myi s LYS 983 Cb 0.08 -4.30 0.00 0.00 -1.01 0.00 0.00 37.83 32.60 3myi s LYS 983 CO 0.67 -1.71 0.00 0.41 0.51 0.00 0.00 175.35 175.23 3myi n GLY 984 N 5.34 1.12 2.54 -3.33 0.00 -1.26 -4.76 105.19 104.84 3myi n GLY 984 Ca 0.26 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 3myi n GLY 984 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3myi s ASN 985 N -2.73 3.42 0.03 1.61 3.84 0.43 -2.40 114.94 119.13 3myi s ASN 985 Ca 0.00 -1.66 0.28 0.00 0.21 0.00 0.00 52.86 51.69 3myi s ASN 985 Cb 0.00 -0.45 1.15 0.00 -0.55 0.00 0.00 41.25 41.41 3myi s ASN 985 CO 0.00 -0.39 1.89 0.47 -2.79 0.00 0.00 177.10 176.28 3myi n ASP 986 N 4.76 0.13 0.02 -4.21 8.00 -1.26 -1.64 116.55 122.34 3myi n ASP 986 Ca 0.01 0.48 -0.12 0.00 0.71 0.00 0.00 54.79 55.86 3myi n ASP 986 Cb 0.40 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 40.90 3myi n ASP 986 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3myi h ILE 987 N 0.00 1.20 -0.11 0.53 2.04 -1.93 -2.11 117.51 117.13 3myi h ILE 987 Ca 0.00 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.70 3myi h ILE 987 Cb 0.53 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3myi h ILE 987 CO 0.00 0.28 -0.05 0.40 0.00 0.00 0.00 178.15 178.78 3myi h ILE 988 N -0.66 0.84 -0.12 -0.67 1.08 -1.85 -0.18 117.51 115.93 3myi h ILE 988 Ca -0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 3myi h ILE 988 Cb 0.54 0.84 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 3myi h ILE 988 CO 0.02 0.00 -0.09 0.00 -0.69 0.00 0.00 178.15 177.39 3myi h ALA 989 N 1.06 0.01 -0.64 1.87 0.00 -1.40 -1.26 119.26 118.91 3myi h ALA 989 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3myi h ALA 989 Cb 0.13 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3myi h ALA 989 CO -0.13 -0.54 0.41 0.00 0.00 0.00 0.00 179.25 178.99 3myi h ALA 990 N 1.00 0.81 -0.84 0.00 0.00 -1.26 -0.50 119.26 118.48 3myi h ALA 990 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3myi h ALA 990 Cb 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3myi h ALA 990 CO -0.18 0.25 0.47 0.00 0.00 0.00 0.00 179.25 179.79 3myi h ALA 991 N 1.22 1.25 -0.49 0.00 0.00 -0.78 0.64 119.26 121.10 3myi h ALA 991 Ca 0.23 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3myi h ALA 991 Cb -0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3myi h ALA 991 CO -0.05 0.62 0.10 0.87 0.00 0.00 0.00 179.25 180.79 3myi h LYS 992 N 1.16 0.80 -0.31 0.00 1.57 -0.92 -1.51 116.57 117.36 3myi h LYS 992 Ca 0.30 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3myi h LYS 992 Cb 0.01 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 3myi h LYS 992 CO -0.05 0.79 0.02 -0.09 -0.57 0.00 0.00 179.45 179.55 3myi h ARG 993 N 0.68 0.11 -0.18 3.15 2.43 -0.67 -1.94 114.38 117.95 3myi h ARG 993 Ca 0.15 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3myi h ARG 993 Cb 0.36 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3myi h ARG 993 CO 0.01 0.07 0.07 0.52 -1.51 0.00 0.00 179.97 179.13 3myi h MET 994 N 0.11 0.16 -0.52 0.20 2.86 -0.74 -1.18 114.93 115.83 3myi h MET 994 Ca 0.15 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3myi h MET 994 Cb 0.19 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 3myi h MET 994 CO -0.23 0.10 0.33 0.00 1.06 0.00 0.00 176.91 178.17 3myi h ALA 995 N 1.11 0.66 -0.62 6.32 0.00 -1.16 0.97 119.26 126.53 3myi h ALA 995 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3myi h ALA 995 Cb 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3myi h ALA 995 CO -0.07 0.07 0.31 -0.07 0.00 0.00 0.00 179.25 179.49 3myi h LEU 996 N 0.67 0.81 -0.57 0.00 3.38 -1.14 -1.80 115.31 116.65 3myi h LEU 996 Ca 0.19 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3myi h LEU 996 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3myi h LEU 996 CO -0.06 0.70 -0.37 -0.07 0.09 0.00 0.00 178.44 178.74 3myi h LEU 997 N 0.85 0.77 -1.24 1.67 3.38 -1.02 -2.74 115.31 116.98 3myi h LEU 997 Ca 0.22 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3myi h LEU 997 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3myi h LEU 997 CO -0.03 1.06 -0.23 -0.03 0.09 0.00 0.00 178.44 179.30 3myi h MET 998 N 0.61 0.22 -0.62 1.13 4.05 -0.59 -0.52 114.93 119.20 3myi h MET 998 Ca 0.06 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.34 3myi h MET 998 Cb 0.91 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.66 3myi h MET 998 CO 0.08 0.45 0.14 0.00 0.23 0.00 0.00 176.91 177.81 3myi h ALA 999 N 1.56 1.07 -0.61 0.39 0.00 -1.17 -2.38 119.26 118.12 3myi h ALA 999 Ca 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3myi h ALA 999 Cb 0.53 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3myi h ALA 999 CO 0.04 0.61 0.25 1.49 0.00 0.00 0.00 179.25 181.64 3myi h GLU 1000N 0.94 0.90 -0.65 0.00 4.57 -1.12 -2.91 114.58 116.32 3myi h GLU 1000Ca 0.20 -0.16 0.11 0.00 -1.18 0.00 0.00 59.36 58.33 3myi h GLU 1000Cb 0.35 -0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 28.71 3myi h GLU 1000CO 0.00 0.76 0.21 1.98 -1.18 0.00 0.00 179.01 180.78 3myi h MET 1001N 0.84 0.35 -0.05 1.92 4.05 -0.80 -1.00 114.93 120.24 3myi h MET 1001Ca 0.20 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.55 3myi h MET 1001Cb 0.19 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 3myi h MET 1001CO -0.02 0.23 -0.20 0.66 0.23 0.00 0.00 176.91 177.82 3myi h SER 1002N 0.36 0.08 -0.09 1.39 4.64 -1.24 -1.17 113.55 117.52 3myi h SER 1002Ca 0.34 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 3myi h SER 1002Cb 0.48 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3myi h SER 1002CO -0.37 0.29 0.00 0.03 -0.87 0.00 0.00 176.83 175.91 3myi h ARG 1003N 0.08 0.16 -0.73 4.77 3.08 -1.22 -1.59 114.38 118.93 3myi h ARG 1003Ca 0.01 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3myi h ARG 1003Cb 0.40 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3myi h ARG 1003CO 0.03 0.40 0.21 -0.07 -1.07 0.00 0.00 179.97 179.47 3myi h LEU 1004N -0.11 1.08 -1.24 3.04 3.38 -0.68 0.16 115.31 120.95 3myi h LEU 1004Ca 0.03 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3myi h LEU 1004Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3myi h LEU 1004CO 0.00 1.02 -0.37 -0.37 0.09 0.00 0.00 178.44 178.81 3myi h VAL 1005N 1.10 1.20 -0.71 1.22 -1.51 -1.33 -2.92 116.25 113.29 3myi h VAL 1005Ca 0.23 -1.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.40 3myi h VAL 1005Cb 0.33 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 3myi h VAL 1005CO -0.00 0.37 0.00 0.54 -1.23 0.00 0.00 177.57 177.24 3myi n ARG 1006N -3.99 3.25 0.00 5.19 3.00 -0.87 -4.90 116.66 118.34 3myi n ARG 1006Ca -0.02 -2.80 0.00 0.00 -0.01 0.00 0.00 57.85 55.02 3myi n ARG 1006Cb 0.42 -1.74 0.00 0.00 0.00 0.00 0.00 32.46 31.14 3myi n ARG 1006CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3myi n GLY 1007N 1.43 5.44 0.00 -0.13 0.00 0.50 -4.73 105.19 107.70 3myi n GLY 1007Ca 0.26 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3myi n GLY 1007CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3myi n GLY 1008N 5.00 -0.69 2.94 -0.02 0.00 -1.26 -4.92 105.19 106.24 3myi n GLY 1008Ca 0.00 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.11 3myi n GLY 1008CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3myi n SER 1009N -1.37 -1.48 0.00 1.61 7.64 -1.26 -4.94 113.62 113.82 3myi n SER 1009Ca 0.00 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.76 3myi n SER 1009Cb 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 3myi n SER 1009CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3myi n GLY 1010N -3.18 2.95 0.00 0.23 0.00 -1.26 -4.90 105.19 99.03 3myi n GLY 1010Ca 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.98 3myi n GLY 1010CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3myi n THR 1011N 0.00 0.00 0.07 2.61 -2.24 -1.26 -4.33 114.28 109.13 3myi n THR 1011Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3myi n THR 1011Cb 0.00 -0.05 -0.09 0.00 -2.10 0.00 0.00 70.33 68.09 3myi n THR 1011CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3myi h LYS 1012N 0.00 -0.16 -0.27 -0.78 3.64 -1.90 -0.56 116.57 116.53 3myi h LYS 1012Ca 0.00 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 3myi h LYS 1012Cb 0.00 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3myi h LYS 1012CO 0.00 0.16 -0.24 0.00 -2.27 0.00 0.00 179.45 177.11 3myi h ARG 1013N -0.51 0.52 -0.39 1.90 3.08 -1.95 -3.01 114.38 114.02 3myi h ARG 1013Ca -0.02 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 59.69 3myi h ARG 1013Cb 0.40 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3myi h ARG 1013CO 0.03 0.72 -0.33 0.00 -1.07 0.00 0.00 179.97 179.32 3myi h ALA 1014N 1.29 0.56 -0.46 0.04 0.00 -1.79 -2.01 119.26 116.88 3myi h ALA 1014Ca 0.07 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.61 3myi h ALA 1014Cb 0.66 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3myi h ALA 1014CO 0.05 0.62 0.15 1.25 0.00 0.00 0.00 179.25 181.32 3myi h LEU 1015N 0.72 0.14 -0.36 0.00 5.85 -1.03 0.42 115.31 121.05 3myi h LEU 1015Ca 0.07 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3myi h LEU 1015Cb 0.92 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3myi h LEU 1015CO 0.08 0.11 -0.00 0.40 -0.34 0.00 0.00 178.44 178.69 3myi h ILE 1016N 0.32 1.26 -0.24 4.05 2.04 -1.40 -2.62 117.51 120.92 3myi h ILE 1016Ca 0.22 -0.99 -0.17 0.00 1.00 0.00 0.00 64.86 64.92 3myi h ILE 1016Cb 0.23 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3myi h ILE 1016CO -0.24 0.33 -0.55 -0.61 0.00 0.00 0.00 178.15 177.09 3myi h GLN 1017N 0.46 0.73 -0.47 2.37 5.75 -1.14 -2.06 115.11 120.74 3myi h GLN 1017Ca 0.10 -0.46 -0.00 0.00 -0.15 0.00 0.00 58.65 58.14 3myi h GLN 1017Cb 0.46 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 3myi h GLN 1017CO 0.02 1.08 0.29 0.00 -2.65 0.00 0.00 178.83 177.57 3myi h ALA 1019N 1.14 1.00 -0.77 0.00 0.00 -1.41 -0.31 119.26 118.91 3myi h ALA 1019Ca 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3myi h ALA 1019Cb -0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3myi h ALA 1019CO -0.03 0.38 0.51 0.87 0.00 0.00 0.00 179.25 180.98 3myi h LYS 1020N 1.04 1.00 -0.15 0.00 1.57 -0.99 -0.30 116.57 118.75 3myi h LYS 1020Ca 0.29 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3myi h LYS 1020Cb -0.09 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 3myi h LYS 1020CO -0.08 0.66 0.08 -0.44 -0.57 0.00 0.00 179.45 179.10 3myi h ASP 1021N 1.03 0.19 -0.42 0.86 3.32 -0.60 -1.68 116.42 119.12 3myi h ASP 1021Ca 0.29 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.27 3myi h ASP 1021Cb -0.09 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 3myi h ASP 1021CO -0.07 0.25 0.19 0.40 -1.72 0.00 0.00 179.24 178.29 3myi h ILE 1022N 0.13 0.93 -0.72 0.35 2.04 -0.86 -1.46 117.51 117.91 3myi h ILE 1022Ca 0.05 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3myi h ILE 1022Cb 0.10 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3myi h ILE 1022CO -0.01 0.07 0.36 0.00 0.00 0.00 0.00 178.15 178.57 3myi h ALA 1023N 1.25 0.93 -0.29 1.87 0.00 -0.96 -1.10 119.26 120.95 3myi h ALA 1023Ca 0.19 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3myi h ALA 1023Cb 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3myi h ALA 1023CO -0.16 0.48 0.15 -0.22 0.00 0.00 0.00 179.25 179.51 3myi h LYS 1024N 1.01 0.30 -0.50 0.00 1.63 -1.07 -1.94 116.57 116.00 3myi h LYS 1024Ca 0.25 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 3myi h LYS 1024Cb 0.10 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 3myi h LYS 1024CO -0.03 0.20 0.24 0.00 -3.45 0.00 0.00 179.45 176.41 3myi h ALA 1025N 1.15 1.49 0.00 5.00 0.00 -0.98 -2.74 119.26 123.19 3myi h ALA 1025Ca 0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3myi h ALA 1025Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3myi h ALA 1025CO -0.08 0.41 -0.47 0.66 0.00 0.00 0.00 179.25 179.77 3myi h SER 1026N 0.70 0.00 -0.48 0.00 4.64 -0.86 -2.51 113.55 115.04 3myi h SER 1026Ca 0.18 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 3myi h SER 1026Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3myi h SER 1026CO -0.02 0.47 0.03 0.44 -0.87 0.00 0.00 176.83 176.88 3myi h ASP 1027N 0.00 0.85 -0.05 4.97 3.32 -1.06 -0.81 116.42 123.64 3myi h ASP 1027Ca -0.00 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 3myi h ASP 1027Cb 0.93 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 3myi h ASP 1027CO 0.06 0.89 0.02 -0.08 -1.72 0.00 0.00 179.24 178.41 3myi h GLU 1028N 0.83 0.08 -0.19 3.56 4.81 -1.36 -0.84 114.58 121.47 3myi h GLU 1028Ca 0.16 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 3myi h GLU 1028Cb 0.44 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.74 3myi h GLU 1028CO 0.02 0.25 -0.42 0.28 -0.73 0.00 0.00 179.01 178.41 3myi h VAL 1029N -0.11 0.14 -0.27 0.32 2.07 -1.34 -2.08 116.25 114.98 3myi h VAL 1029Ca 0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.60 3myi h VAL 1029Cb 0.21 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.06 3myi h VAL 1029CO -0.00 0.00 -0.16 0.74 0.02 0.00 0.00 177.57 178.17 3myi h THR 1030N -0.45 0.53 -0.42 2.57 2.02 -1.13 -1.00 112.91 115.02 3myi h THR 1030Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 3myi h THR 1030Cb 0.61 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3myi h THR 1030CO -0.43 0.00 0.27 -0.09 0.37 0.00 0.00 175.52 175.63 3myi h ARG 1031N -0.14 0.52 -0.22 6.66 2.43 -0.97 -1.73 114.38 120.94 3myi h ARG 1031Ca 0.15 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.08 3myi h ARG 1031Cb 0.36 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3myi h ARG 1031CO -0.36 0.35 -0.66 -0.07 -1.51 0.00 0.00 179.97 177.72 3myi h LEU 1032N 0.54 0.93 -1.26 3.80 3.38 -1.23 -3.08 115.31 118.40 3myi h LEU 1032Ca 0.16 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3myi h LEU 1032Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3myi h LEU 1032CO -0.06 1.35 -0.36 0.00 0.09 0.00 0.00 178.44 179.46 3myi h ALA 1033N 0.65 1.39 -0.55 1.53 0.00 -1.05 -1.36 119.26 119.87 3myi h ALA 1033Ca -0.02 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3myi h ALA 1033Cb 1.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3myi h ALA 1033CO 0.14 0.46 -0.06 0.87 0.00 0.00 0.00 179.25 180.66 3myi h LYS 1034N 0.01 0.99 -0.68 0.00 1.57 -1.30 -1.22 116.57 115.94 3myi h LYS 1034Ca -0.00 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.39 3myi h LYS 1034Cb 0.65 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3myi h LYS 1034CO 0.05 1.01 0.21 0.93 -0.57 0.00 0.00 179.45 181.08 3myi h GLU 1035N 0.89 1.06 0.14 3.15 5.08 -1.35 -2.00 114.58 121.55 3myi h GLU 1035Ca 0.15 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3myi h GLU 1035Cb 0.60 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3myi h GLU 1035CO 0.04 0.91 -0.07 0.28 -1.00 0.00 0.00 179.01 179.17 3myi h VAL 1036N 0.99 0.90 -0.59 3.13 2.07 -1.06 -3.04 116.25 118.65 3myi h VAL 1036Ca 0.22 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.69 3myi h VAL 1036Cb 0.30 1.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.98 3myi h VAL 1036CO -0.01 0.04 0.03 0.00 0.02 0.00 0.00 177.57 177.66 3myi h ALA 1037N 0.58 0.61 -0.02 1.67 0.00 -1.14 -1.66 119.26 119.30 3myi h ALA 1037Ca -0.02 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3myi h ALA 1037Cb 0.21 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3myi h ALA 1037CO 0.03 -0.37 0.01 1.63 0.00 0.00 0.00 179.25 180.55 3myi n LYS 1038N -5.23 1.05 0.00 0.00 5.02 -0.76 -1.16 118.16 117.07 3myi n LYS 1038Ca 0.08 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3myi n LYS 1038Cb 0.33 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3myi n LYS 1038CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3myi n GLN 1039N 0.25 0.18 -3.54 1.97 6.02 -0.64 -5.02 117.38 116.61 3myi n GLN 1039Ca 0.01 -0.39 -0.37 0.00 -0.01 0.00 0.00 57.00 56.24 3myi n GLN 1039Cb 0.41 -0.61 -0.07 0.00 1.02 0.00 0.00 30.24 30.99 3myi n GLN 1039CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3myi h THR 1041N 4.43 1.29 -3.31 0.00 1.35 -1.87 -3.44 112.91 111.37 3myi h THR 1041Ca -0.44 -2.99 -0.57 0.00 -0.55 0.00 0.00 66.41 61.86 3myi h THR 1041Cb 1.18 2.72 -0.05 0.00 -1.73 0.00 0.00 68.15 70.27 3myi h THR 1041CO 0.71 0.80 1.02 -0.62 -0.25 0.00 0.00 175.52 177.18 3myi s ASP 1042N -6.71 6.49 0.23 5.36 -1.08 -1.26 -4.91 116.67 114.79 3myi s ASP 1042Ca -0.05 0.89 -0.07 0.00 -0.52 0.00 0.00 52.55 52.80 3myi s ASP 1042Cb 0.08 -2.54 0.21 0.00 -1.46 0.00 0.00 42.92 39.21 3myi s ASP 1042CO 0.84 -1.29 1.87 0.50 0.52 0.00 0.00 175.17 177.61 3myi h LYS 1043N 10.01 1.22 -0.28 4.34 3.64 -1.98 0.15 116.57 133.68 3myi h LYS 1043Ca -0.26 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.06 3myi h LYS 1043Cb 1.10 -0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 32.60 3myi h LYS 1043CO 1.08 0.86 -0.14 -0.09 -2.27 0.00 0.00 179.45 178.89 3myi h ARG 1044N 1.24 -0.10 -0.14 1.90 1.12 -1.99 0.19 114.38 116.60 3myi h ARG 1044Ca 0.32 0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 59.05 3myi h ARG 1044Cb -0.04 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 3myi h ARG 1044CO -0.06 -0.06 -0.47 0.82 -3.11 0.00 0.00 179.97 177.09 3myi h ILE 1045N -0.10 1.35 -0.45 1.20 1.08 -1.90 -2.68 117.51 116.01 3myi h ILE 1045Ca 0.15 -1.75 0.04 0.00 -0.39 0.00 0.00 64.86 62.90 3myi h ILE 1045Cb 0.32 2.05 -0.04 0.00 -3.07 0.00 0.00 36.82 36.08 3myi h ILE 1045CO -0.34 0.53 0.22 -0.09 -0.69 0.00 0.00 178.15 177.78 3myi h ARG 1046N 0.21 0.43 -0.25 2.37 2.43 -0.46 -0.06 114.38 119.05 3myi h ARG 1046Ca -0.02 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 3myi h ARG 1046Cb 1.10 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 3myi h ARG 1046CO 0.10 0.28 -0.03 1.15 -1.51 0.00 0.00 179.97 179.96 3myi h THR 1047N 0.44 1.27 -0.79 0.20 2.02 -0.72 -1.38 112.91 113.95 3myi h THR 1047Ca 0.20 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3myi h THR 1047Cb 0.11 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 3myi h THR 1047CO -0.14 0.31 0.46 0.78 0.37 0.00 0.00 175.52 177.30 3myi h ASN 1048N 0.21 0.96 -0.10 4.18 4.21 -1.23 0.72 115.58 124.53 3myi h ASN 1048Ca 0.07 -0.06 -0.18 0.00 1.21 0.00 0.00 56.30 57.34 3myi h ASN 1048Cb 0.48 -0.24 0.01 0.00 -1.12 0.00 0.00 38.32 37.45 3myi h ASN 1048CO 0.02 0.75 -0.63 0.25 -1.29 0.00 0.00 177.43 176.53 3myi h LEU 1049N 1.10 0.72 -0.85 1.61 5.85 -0.92 -1.89 115.31 120.93 3myi h LEU 1049Ca 0.28 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3myi h LEU 1049Cb -0.02 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3myi h LEU 1049CO -0.05 1.27 0.55 -0.07 -0.34 0.00 0.00 178.44 179.79 3myi h LEU 1050N 0.23 0.99 0.01 2.25 3.38 -1.10 -1.20 115.31 119.87 3myi h LEU 1050Ca -0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3myi h LEU 1050Cb 1.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3myi h LEU 1050CO 0.13 0.73 -0.03 1.56 0.09 0.00 0.00 178.44 180.91 3myi h GLN 1051N 1.15 -0.06 -0.09 1.13 4.20 -0.61 -2.60 115.11 118.23 3myi h GLN 1051Ca 0.31 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.97 3myi h GLN 1051Cb -0.11 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3myi h GLN 1051CO -0.06 -0.04 -0.13 -0.24 -0.67 0.00 0.00 178.83 177.68 3myi h VAL 1052N -0.07 1.38 0.00 -0.54 3.04 -1.29 -3.15 116.25 115.62 3myi h VAL 1052Ca 0.01 -1.36 0.00 0.00 -1.01 0.00 0.00 66.70 64.34 3myi h VAL 1052Cb 0.08 2.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 3myi h VAL 1052CO -0.03 0.39 0.00 0.00 -1.01 0.00 0.00 177.57 176.92 3myi n GLU 1054N -1.45 0.51 0.15 0.00 1.02 -0.98 -3.46 120.64 116.43 3myi n GLU 1054Ca 0.06 -0.33 0.01 0.00 -0.02 0.00 0.00 57.16 56.89 3myi n GLU 1054Cb 0.23 -1.49 0.21 0.00 -0.02 0.00 0.00 31.44 30.36 3myi n GLU 1054CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3myi h ARG 1055N 0.80 0.00 -0.39 3.49 3.08 -1.19 -3.41 114.38 116.76 3myi h ARG 1055Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3myi h ARG 1055Cb 0.53 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3myi h ARG 1055CO 0.00 0.55 0.06 0.82 -1.07 0.00 0.00 179.97 180.32 3myi h ILE 1056N 0.00 1.24 -0.53 2.04 2.04 -1.58 -2.17 117.51 118.55 3myi h ILE 1056Ca -0.01 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3myi h ILE 1056Cb 1.08 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 3myi h ILE 1056CO 0.07 0.30 0.30 -0.65 0.00 0.00 0.00 178.15 178.17 3myi h PRO 1057N 0.50 0.72 -0.37 2.37 0.11 -1.79 0.04 132.00 133.57 3myi h PRO 1057Ca 0.12 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.07 3myi h PRO 1057Cb 0.38 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3myi h PRO 1057CO 0.01 0.52 -0.13 1.15 -0.21 0.00 0.00 178.00 179.34 3myi h THR 1058N 0.73 1.28 -0.44 -1.15 2.02 -1.76 0.08 112.91 113.66 3myi h THR 1058Ca 0.19 -1.24 -0.14 0.00 0.77 0.00 0.00 66.41 65.99 3myi h THR 1058Cb 0.00 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3myi h THR 1058CO -0.03 0.41 -0.26 0.40 0.37 0.00 0.00 175.52 176.40 3myi h ILE 1059N 0.54 1.27 0.00 3.11 2.04 -0.85 -0.86 117.51 122.77 3myi h ILE 1059Ca 0.09 -1.43 -0.12 0.00 1.00 0.00 0.00 64.86 64.40 3myi h ILE 1059Cb 0.67 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3myi h ILE 1059CO 0.05 0.49 -0.58 0.77 0.00 0.00 0.00 178.15 178.87 3myi h SER 1060N 0.81 0.00 -0.42 1.72 4.64 -0.99 0.72 113.55 120.03 3myi h SER 1060Ca 0.09 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 3myi h SER 1060Cb 0.84 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 3myi h SER 1060CO 0.07 0.58 0.12 0.74 -0.87 0.00 0.00 176.83 177.48 3myi h THR 1061N 0.00 1.22 -0.37 2.95 2.02 -0.89 -2.81 112.91 115.04 3myi h THR 1061Ca -0.01 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 3myi h THR 1061Cb 1.41 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3myi h THR 1061CO 0.08 0.27 0.18 -0.61 0.37 0.00 0.00 175.52 175.80 3myi h GLN 1062N 0.54 0.50 -0.87 6.66 5.75 -0.79 -2.12 115.11 124.79 3myi h GLN 1062Ca 0.13 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 3myi h GLN 1062Cb 0.28 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 3myi h GLN 1062CO -0.00 0.39 0.46 1.25 -2.65 0.00 0.00 178.83 178.28 3myi h LEU 1063N 0.51 1.09 -0.29 -2.39 5.85 -0.68 -0.66 115.31 118.75 3myi h LEU 1063Ca 0.13 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3myi h LEU 1063Cb 0.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3myi h LEU 1063CO -0.02 0.89 -0.14 0.11 -0.34 0.00 0.00 178.44 178.93 3myi h LYS 1064N 1.22 0.60 0.17 1.25 1.57 -1.18 -1.29 116.57 118.91 3myi h LYS 1064Ca 0.30 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3myi h LYS 1064Cb 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3myi h LYS 1064CO -0.05 0.84 -0.15 0.82 -0.57 0.00 0.00 179.45 180.34 3myi h ILE 1065N 0.35 0.67 0.00 1.86 2.04 -1.27 -2.31 117.51 118.83 3myi h ILE 1065Ca 0.06 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 3myi h ILE 1065Cb 0.66 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3myi h ILE 1065CO 0.04 0.00 -0.53 -0.07 0.00 0.00 0.00 178.15 177.59 3myi h LEU 1066N -0.34 0.00 -0.51 1.44 3.38 -1.11 -0.74 115.31 117.42 3myi h LEU 1066Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3myi h LEU 1066Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3myi h LEU 1066CO -0.03 0.53 -0.27 0.28 0.09 0.00 0.00 178.44 179.04 3myi h SER 1067N 0.00 0.96 -0.26 -0.43 0.02 -1.24 -1.02 113.55 111.58 3myi h SER 1067Ca -0.01 -0.38 -0.10 0.00 -0.84 0.00 0.00 61.79 60.46 3myi h SER 1067Cb 0.99 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3myi h SER 1067CO 0.07 1.16 -0.21 0.74 -1.14 0.00 0.00 176.83 177.46 3myi h THR 1068N 0.79 1.31 -0.20 -2.27 2.02 -1.09 -0.21 112.91 113.27 3myi h THR 1068Ca 0.09 -1.35 0.06 0.00 0.77 0.00 0.00 66.41 65.98 3myi h THR 1068Cb 0.84 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 3myi h THR 1068CO 0.07 0.42 -0.23 0.58 0.37 0.00 0.00 175.52 176.74 3myi h VAL 1069N 0.33 0.42 -0.77 3.16 2.07 -1.14 0.18 116.25 120.50 3myi h VAL 1069Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3myi h VAL 1069Cb 0.75 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3myi h VAL 1069CO 0.05 0.00 0.49 0.50 0.02 0.00 0.00 177.57 178.64 3myi h LYS 1070N -0.26 0.95 -0.35 1.57 1.63 -1.06 0.53 116.57 119.57 3myi h LYS 1070Ca 0.12 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.80 3myi h LYS 1070Cb 0.44 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 3myi h LYS 1070CO -0.35 0.63 -0.01 0.00 -3.45 0.00 0.00 179.45 176.27 3myi h ALA 1071N 1.31 0.48 0.00 5.00 0.00 -0.66 -3.38 119.26 122.00 3myi h ALA 1071Ca 0.30 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3myi h ALA 1071Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3myi h ALA 1071CO -0.09 0.26 -1.47 2.41 0.00 0.00 0.00 179.25 180.36 3myi n THR 1072N -4.48 0.37 0.00 0.00 -1.04 0.60 -4.86 114.28 104.87 3myi n THR 1072Ca -0.02 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 3myi n THR 1072Cb 0.29 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 3myi n THR 1072CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3myi n MET 1073N -2.14 0.00 -0.75 -2.82 0.00 0.18 -1.44 117.12 110.14 3myi n MET 1073Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.61 3myi n MET 1073Cb 0.60 0.00 0.27 0.00 0.00 0.00 0.00 33.22 34.09 3myi n MET 1073CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3myi n LEU 1074N 0.00 4.82 0.00 4.03 4.77 -1.26 -4.93 117.00 124.43 3myi n LEU 1074Ca 0.00 -3.26 0.00 0.00 -0.03 0.00 0.00 56.01 52.72 3myi n LEU 1074Cb 0.00 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 3myi n LEU 1074CO 0.00 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3myi n GLY 1075N -0.50 2.12 0.14 -0.72 0.00 -0.52 -3.63 105.19 102.07 3myi n GLY 1075Ca 0.32 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 3myi n GLY 1075CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3myi h ARG 1076N 0.00 0.07 -6.35 1.61 3.08 -1.97 -3.46 114.38 107.36 3myi h ARG 1076Ca 0.00 -0.06 -0.63 0.00 0.07 0.00 0.00 59.98 59.36 3myi h ARG 1076Cb 0.00 0.01 0.10 0.00 0.08 0.00 0.00 29.97 30.16 3myi h ARG 1076CO 0.00 0.72 0.08 2.41 -1.07 0.00 0.00 179.97 182.11 3myi n THR 1077N -3.76 1.58 -2.13 2.04 -1.04 -1.24 -4.96 114.28 104.77 3myi n THR 1077Ca -0.02 -0.40 -0.38 0.00 -2.04 0.00 0.00 64.05 61.22 3myi n THR 1077Cb 0.67 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 3myi n THR 1077CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3myi s ASN 1078N -0.42 6.05 -0.02 8.00 2.47 -1.26 -4.71 114.94 125.04 3myi s ASN 1078Ca 0.65 2.46 0.03 0.00 0.42 0.00 0.00 52.86 56.42 3myi s ASN 1078Cb -0.80 -2.62 -0.00 0.00 -1.45 0.00 0.00 41.25 36.38 3myi s ASN 1078CO 0.57 -1.01 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.19 3myi s ILE 1079N -1.43 0.96 0.89 -5.21 1.09 -1.26 -5.03 121.20 111.21 3myi s ILE 1079Ca 0.63 -0.48 -0.12 0.00 -1.10 0.00 0.00 60.65 59.58 3myi s ILE 1079Cb -0.33 -0.83 0.13 0.00 -1.06 0.00 0.00 42.46 40.37 3myi s ILE 1079CO 0.40 0.29 1.14 -0.94 -0.10 0.00 0.00 174.94 175.72 3myi s SER 1080N 0.02 3.66 0.49 3.58 1.04 -1.26 -4.92 113.70 116.30 3myi s SER 1080Ca -0.01 0.98 0.27 0.00 0.48 0.00 0.00 55.95 57.67 3myi s SER 1080Cb -0.08 -1.57 1.21 0.00 0.10 0.00 0.00 66.02 65.69 3myi s SER 1080CO 0.00 -2.46 1.95 0.44 0.98 0.00 0.00 173.24 174.16 3myi h ASP 1081N -1.43 0.00 0.10 7.02 5.19 -2.01 -2.43 116.42 122.84 3myi h ASP 1081Ca -0.50 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.91 3myi h ASP 1081Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 3myi h ASP 1081CO 0.62 0.16 -0.05 -0.33 -3.12 0.00 0.00 179.24 176.52 3myi h GLU 1082N 0.00 -0.12 -0.96 3.56 5.08 -1.98 -1.03 114.58 119.12 3myi h GLU 1082Ca -0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3myi h GLU 1082Cb 0.54 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 3myi h GLU 1082CO 0.02 0.37 0.62 0.93 -1.00 0.00 0.00 179.01 179.95 3myi h GLU 1083N -0.70 1.08 -0.03 2.33 5.08 -1.94 0.60 114.58 120.99 3myi h GLU 1083Ca -0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3myi h GLU 1083Cb 0.55 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3myi h GLU 1083CO 0.02 0.71 0.00 1.03 -1.00 0.00 0.00 179.01 179.78 3myi h SER 1084N 1.11 0.06 -0.63 1.42 0.87 -1.46 -0.63 113.55 114.29 3myi h SER 1084Ca 0.41 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3myi h SER 1084Cb 0.18 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3myi h SER 1084CO -0.16 0.35 0.34 -0.08 -0.53 0.00 0.00 176.83 176.75 3myi h GLU 1085N -0.23 0.89 -0.89 2.24 4.81 -1.06 -1.69 114.58 118.64 3myi h GLU 1085Ca 0.01 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3myi h GLU 1085Cb 0.32 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 3myi h GLU 1085CO 0.00 0.68 0.59 0.37 -0.73 0.00 0.00 179.01 179.92 3myi h GLN 1086N 0.86 1.15 -0.13 1.92 4.15 -0.83 -1.31 115.11 120.92 3myi h GLN 1086Ca 0.22 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.44 3myi h GLN 1086Cb 0.06 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 3myi h GLN 1086CO -0.03 0.76 -0.50 0.00 -1.93 0.00 0.00 178.83 177.13 3myi h ALA 1087N 1.34 0.91 -0.35 3.38 0.00 -0.91 -1.86 119.26 121.78 3myi h ALA 1087Ca 0.34 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3myi h ALA 1087Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3myi h ALA 1087CO -0.08 0.66 0.14 1.15 0.00 0.00 0.00 179.25 181.11 3myi h THR 1088N 0.28 1.19 -0.12 0.00 2.02 -1.02 -2.63 112.91 112.63 3myi h THR 1088Ca 0.01 -0.57 -0.15 0.00 0.77 0.00 0.00 66.41 66.47 3myi h THR 1088Cb 0.97 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 3myi h THR 1088CO 0.08 0.20 -0.57 -0.33 0.37 0.00 0.00 175.52 175.27 3myi h GLU 1089N 0.41 0.38 -0.02 6.66 5.08 -1.02 0.19 114.58 126.25 3myi h GLU 1089Ca 0.12 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3myi h GLU 1089Cb 0.19 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3myi h GLU 1089CO -0.01 0.85 -0.11 0.52 -1.00 0.00 0.00 179.01 179.26 3myi h MET 1090N 0.29 -0.17 -0.39 2.33 2.86 -1.37 -1.98 114.93 116.49 3myi h MET 1090Ca -0.00 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3myi h MET 1090Cb 1.09 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 3myi h MET 1090CO 0.10 -0.11 0.21 1.25 1.06 0.00 0.00 176.91 179.41 3myi h LEU 1091N -0.18 0.32 -0.13 1.22 5.85 -1.14 -2.33 115.31 118.92 3myi h LEU 1091Ca 0.05 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3myi h LEU 1091Cb 0.24 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3myi h LEU 1091CO -0.13 0.23 -0.23 0.58 -0.34 0.00 0.00 178.44 178.56 3myi h VAL 1092N 0.42 0.45 -0.66 1.05 2.07 -0.87 -0.97 116.25 117.74 3myi h VAL 1092Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 3myi h VAL 1092Cb 0.05 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3myi h VAL 1092CO -0.10 0.00 0.40 -0.74 0.02 0.00 0.00 177.57 177.15 3myi h HIS 1093N -0.29 0.75 -0.53 1.57 -0.00 -1.22 -1.28 115.15 114.15 3myi h HIS 1093Ca 0.10 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.42 3myi h HIS 1093Cb 0.44 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 3myi h HIS 1093CO -0.33 0.42 0.05 -0.97 -0.00 0.00 0.00 177.93 177.10 3myi h ASN 1094N 0.78 0.88 -0.78 3.26 -1.24 -1.17 -1.82 115.58 115.49 3myi h ASN 1094Ca 0.27 -0.28 0.02 0.00 0.71 0.00 0.00 56.30 57.02 3myi h ASN 1094Cb 0.05 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 38.82 3myi h ASN 1094CO -0.12 0.94 0.51 0.00 -1.29 0.00 0.00 177.43 177.47 3myi h ALA 1095N 0.97 1.00 -0.46 1.57 0.00 -0.76 -0.53 119.26 121.05 3myi h ALA 1095Ca 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3myi h ALA 1095Cb 0.46 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3myi h ALA 1095CO 0.02 0.36 0.08 1.96 0.00 0.00 0.00 179.25 181.67 3myi h GLN 1096N 1.02 0.76 -0.51 0.00 4.20 -1.13 -1.18 115.11 118.28 3myi h GLN 1096Ca 0.30 -0.20 0.02 0.00 0.06 0.00 0.00 58.65 58.82 3myi h GLN 1096Cb -0.07 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 3myi h GLN 1096CO -0.08 0.78 0.31 -0.97 -0.67 0.00 0.00 178.83 178.20 3myi h ASN 1097N 0.63 0.52 -0.07 1.46 -1.24 -1.11 -0.19 115.58 115.58 3myi h ASN 1097Ca 0.14 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.14 3myi h ASN 1097Cb 0.38 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.31 3myi h ASN 1097CO 0.01 0.37 0.03 0.25 -1.29 0.00 0.00 177.43 176.80 3myi h LEU 1098N 0.63 0.10 -0.66 0.34 5.85 -0.98 -0.87 115.31 119.72 3myi h LEU 1098Ca 0.20 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3myi h LEU 1098Cb -0.01 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3myi h LEU 1098CO -0.07 0.25 0.42 0.24 -0.34 0.00 0.00 178.44 178.94 3myi h MET 1099N -0.06 0.88 -0.50 1.25 2.86 -1.07 -1.92 114.93 116.38 3myi h MET 1099Ca 0.02 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3myi h MET 1099Cb 0.19 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 3myi h MET 1099CO -0.00 0.61 0.28 0.37 1.06 0.00 0.00 176.91 179.22 3myi h GLN 1100N 0.90 0.53 -0.53 1.72 -0.00 -0.88 -1.83 115.11 115.01 3myi h GLN 1100Ca 0.24 -0.03 -0.11 0.00 -0.00 0.00 0.00 58.65 58.75 3myi h GLN 1100Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.28 3myi h GLN 1100CO -0.05 0.35 -0.08 0.77 0.00 0.00 0.00 178.83 179.82 3myi h SER 1101N 0.55 0.99 -0.39 -0.69 0.02 -0.63 -1.45 113.55 111.94 3myi h SER 1101Ca 0.21 -0.34 -0.15 0.00 -0.84 0.00 0.00 61.79 60.67 3myi h SER 1101Cb 0.07 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3myi h SER 1101CO -0.12 1.10 -0.34 0.58 -1.14 0.00 0.00 176.83 176.92 3myi h VAL 1102N 0.86 1.27 -0.05 2.27 2.07 -1.28 -0.39 116.25 121.00 3myi h VAL 1102Ca 0.14 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 3myi h VAL 1102Cb 0.64 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3myi h VAL 1102CO 0.04 0.50 0.03 0.50 0.02 0.00 0.00 177.57 178.67 3myi h LYS 1103N 0.73 0.06 -1.00 1.57 3.64 -1.19 0.27 116.57 120.66 3myi h LYS 1103Ca 0.07 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 3myi h LYS 1103Cb 0.93 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.66 3myi h LYS 1103CO 0.09 0.08 0.65 1.49 -2.27 0.00 0.00 179.45 179.48 3myi h GLU 1104N 0.03 1.11 -0.49 1.90 4.81 -1.26 -2.00 114.58 118.68 3myi h GLU 1104Ca 0.02 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 3myi h GLU 1104Cb 0.03 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3myi h GLU 1104CO -0.00 0.73 -0.09 1.15 -0.73 0.00 0.00 179.01 180.07 3myi h THR 1105N 1.14 1.26 -0.03 0.32 2.02 -0.13 -1.58 112.91 115.91 3myi h THR 1105Ca 0.45 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 3myi h THR 1105Cb 0.23 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3myi h THR 1105CO -0.19 0.41 0.01 0.58 0.37 0.00 0.00 175.52 176.70 3myi h VAL 1106N 0.80 1.16 0.13 3.16 2.07 -0.07 0.01 116.25 123.51 3myi h VAL 1106Ca 0.13 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3myi h VAL 1106Cb 0.60 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3myi h VAL 1106CO 0.04 0.13 -0.22 -0.09 0.02 0.00 0.00 177.57 177.45 3myi h ARG 1107N -0.14 -0.41 -0.46 1.57 9.65 -1.29 -1.86 114.38 121.43 3myi h ARG 1107Ca 0.01 0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.83 3myi h ARG 1107Cb 0.20 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 3myi h ARG 1107CO -0.00 -0.28 -0.08 0.93 2.80 0.00 0.00 179.97 183.35 3myi h GLU 1108N -0.43 0.81 -0.93 0.20 5.08 -1.30 -1.06 114.58 116.96 3myi h GLU 1108Ca 0.02 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3myi h GLU 1108Cb 0.44 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 3myi h GLU 1108CO -0.11 0.87 0.61 0.00 -1.00 0.00 0.00 179.01 179.38 3myi h ALA 1109N 1.17 1.34 -0.09 3.43 0.00 -0.80 0.32 119.26 124.63 3myi h ALA 1109Ca 0.13 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3myi h ALA 1109Cb 0.56 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3myi h ALA 1109CO 0.03 0.62 -0.17 1.49 0.00 0.00 0.00 179.25 181.22 3myi h GLU 1110N 1.26 0.27 -0.74 0.00 4.22 -0.98 -2.06 114.58 116.55 3myi h GLU 1110Ca 0.34 -0.17 0.14 0.00 0.08 0.00 0.00 59.36 59.75 3myi h GLU 1110Cb -0.14 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.03 3myi h GLU 1110CO -0.07 0.76 0.27 0.00 -2.18 0.00 0.00 179.01 177.79 3myi h ALA 1111N 0.51 1.02 -0.12 2.92 0.00 -1.00 -2.02 119.26 120.57 3myi h ALA 1111Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3myi h ALA 1111Cb 0.75 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3myi h ALA 1111CO 0.04 -0.23 -0.29 0.00 0.00 0.00 0.00 179.25 178.76 3myi h ALA 1112N 1.55 1.28 -0.01 0.00 0.00 -0.30 -3.11 119.26 118.68 3myi h ALA 1112Ca 0.41 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3myi h ALA 1112Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3myi h ALA 1112CO -0.42 0.49 -0.30 0.77 0.00 0.00 0.00 179.25 179.80 3myi h SER 1113N 0.20 0.02 -0.88 0.00 0.02 -0.62 -1.75 113.55 110.54 3myi h SER 1113Ca 0.03 -0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.19 3myi h SER 1113Cb 0.63 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.10 3myi h SER 1113CO 0.05 0.31 0.59 0.40 -1.14 0.00 0.00 176.83 177.04 3myi h ILE 1114N 0.02 0.66 -0.03 3.27 1.08 -1.46 -1.01 117.51 120.04 3myi h ILE 1114Ca -0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3myi h ILE 1114Cb 0.53 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 3myi h ILE 1114CO 0.04 0.06 0.00 0.29 -0.69 0.00 0.00 178.15 177.85 3myi n LYS 1115N -4.46 1.15 0.00 2.37 4.01 -0.66 -5.14 118.16 115.43 3myi n LYS 1115Ca 0.19 -0.23 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 3myi n LYS 1115Cb 0.74 -1.33 0.00 0.00 -0.51 0.00 0.00 35.03 33.93 3myi n LYS 1115CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3myi n ILE 1116N -0.58 0.00 -0.46 -0.18 5.41 -0.39 -4.35 119.36 118.81 3myi n ILE 1116Ca 0.15 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.83 3myi n ILE 1116Cb 0.12 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.00 3myi n ILE 1116CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3myi n THR 1123N 0.00 1.43 -3.79 1.39 -2.24 -1.26 -4.98 114.28 104.83 3myi n THR 1123Ca 0.00 -0.75 -0.13 0.00 -2.27 0.00 0.00 64.05 60.90 3myi n THR 1123Cb 0.00 -1.78 -0.14 0.00 -2.10 0.00 0.00 70.33 66.32 3myi n THR 1123CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3myi s LEU 1124N 0.02 1.13 -0.20 3.22 0.20 -1.26 -5.03 118.68 116.75 3myi s LEU 1124Ca 0.29 0.25 -0.04 0.00 0.69 0.00 0.00 54.13 55.33 3myi s LEU 1124Cb 0.12 0.35 -0.01 0.00 -0.43 0.00 0.00 46.19 46.22 3myi s LEU 1124CO -0.01 -0.10 -0.05 -0.60 -0.29 0.00 0.00 176.35 175.31 3myi s ARG 1125N 0.65 3.42 -0.38 1.98 3.52 -1.01 -5.05 118.95 122.09 3myi s ARG 1125Ca -0.05 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 54.93 3myi s ARG 1125Cb -0.07 -2.97 0.10 0.00 -1.56 0.00 0.00 34.95 30.46 3myi s ARG 1125CO -0.03 -0.10 0.13 -1.58 -0.81 0.00 0.00 175.30 172.91 3myi s TRP 1126N 1.22 3.61 -0.17 5.12 0.52 -1.26 -4.48 118.94 123.51 3myi s TRP 1126Ca 0.03 -2.55 0.01 0.00 0.02 0.00 0.00 56.10 53.61 3myi s TRP 1126Cb -0.14 -3.01 0.02 0.00 -1.15 0.00 0.00 33.47 29.18 3myi s TRP 1126CO -0.01 -0.95 -0.20 0.08 0.02 0.00 0.00 176.95 175.89 3myi s VAL 1127N 1.08 2.01 0.39 4.03 1.01 -1.26 -5.04 120.40 122.61 3myi s VAL 1127Ca 0.08 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 3myi s VAL 1127Cb -0.21 -1.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 3myi s VAL 1127CO -0.05 0.53 1.31 -0.13 0.00 0.00 0.00 175.10 176.76 3myi s ARG 1128N 1.22 4.06 0.00 2.72 1.81 -1.26 -1.64 118.95 125.86 3myi s ARG 1128Ca 0.03 2.17 0.28 0.00 -1.72 0.00 0.00 55.73 56.49 3myi s ARG 1128Cb -0.13 -2.83 1.14 0.00 -0.45 0.00 0.00 34.95 32.68 3myi s ARG 1128CO -0.11 -0.42 1.80 1.63 -0.68 0.00 0.00 175.30 177.52