#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aaf s TRP 957 N 0.00 0.40 -0.46 1.43 -0.11 -0.99 -4.98 118.94 114.24 3aaf s TRP 957 Ca 0.00 -0.37 -0.22 0.00 1.22 0.00 0.00 56.10 56.74 3aaf s TRP 957 Cb 0.00 -0.26 0.03 0.00 -1.50 0.00 0.00 33.47 31.74 3aaf s TRP 957 CO 0.00 -0.09 0.72 0.34 -4.62 0.00 0.00 176.95 173.30 3aaf s ASP 958 N -1.06 6.35 -0.26 5.86 2.15 -1.26 -1.00 116.67 127.46 3aaf s ASP 958 Ca -0.08 -0.29 0.13 0.00 0.43 0.00 0.00 52.55 52.74 3aaf s ASP 958 Cb -0.07 -2.35 0.79 0.00 -0.30 0.00 0.00 42.92 40.99 3aaf s ASP 958 CO -0.00 -0.88 1.75 0.49 -0.17 0.00 0.00 175.17 176.36 3aaf n PHE 959 N 6.53 2.12 -0.19 -5.34 3.72 0.08 -4.70 117.46 119.69 3aaf n PHE 959 Ca -0.00 -0.86 -0.00 0.00 -0.05 0.00 0.00 57.45 56.54 3aaf n PHE 959 Cb 0.48 -0.55 0.09 0.00 -0.94 0.00 0.00 39.48 38.56 3aaf n PHE 959 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3aaf h GLY 960 N 3.56 0.68 0.95 1.37 0.00 -1.77 0.61 103.07 108.46 3aaf h GLY 960 Ca 0.06 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.43 3aaf h GLY 960 CO 0.54 -0.13 0.60 -2.55 0.00 0.00 0.00 176.54 175.00 3aaf h PRO 961 N 0.20 1.16 -0.25 4.80 0.11 -1.84 0.87 132.00 137.06 3aaf h PRO 961 Ca 0.30 -0.07 -0.19 0.00 0.11 0.00 0.00 66.00 66.14 3aaf h PRO 961 Cb 0.45 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3aaf h PRO 961 CO -0.42 0.77 -0.60 1.96 -0.21 0.00 0.00 178.00 179.50 3aaf h GLN 962 N 1.20 0.85 -0.94 1.05 7.50 -1.78 -2.85 115.11 120.13 3aaf h GLN 962 Ca 0.35 -0.57 -0.01 0.00 0.50 0.00 0.00 58.65 58.92 3aaf h GLN 962 Cb -0.07 0.08 -0.05 0.00 0.05 0.00 0.00 27.48 27.49 3aaf h GLN 962 CO -0.10 1.20 0.55 0.00 -1.50 0.00 0.00 178.83 178.99 3aaf h ALA 963 N 0.67 1.21 -0.30 3.87 0.00 -0.68 -1.32 119.26 122.70 3aaf h ALA 963 Ca -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3aaf h ALA 963 Cb 1.22 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3aaf h ALA 963 CO 0.13 0.67 0.09 0.35 0.00 0.00 0.00 179.25 180.49 3aaf h PHE 964 N 1.30 0.17 -0.10 0.00 3.57 -0.72 0.54 116.94 121.70 3aaf h PHE 964 Ca 0.33 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 3aaf h PHE 964 Cb -0.03 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3aaf h PHE 964 CO 0.01 0.07 0.06 0.87 -2.23 0.00 0.00 178.31 177.08 3aaf h LYS 965 N 0.22 0.13 -0.11 1.11 1.57 -1.25 -0.76 116.57 117.48 3aaf h LYS 965 Ca 0.14 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 3aaf h LYS 965 Cb 0.11 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3aaf h LYS 965 CO -0.15 0.13 -0.29 1.25 -0.57 0.00 0.00 179.45 179.82 3aaf h LEU 966 N 0.09 0.44 -0.87 2.94 5.85 -1.08 -0.03 115.31 122.65 3aaf h LEU 966 Ca 0.03 -0.59 -0.08 0.00 0.84 0.00 0.00 57.88 58.08 3aaf h LEU 966 Cb 0.03 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3aaf h LEU 966 CO -0.01 0.95 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.92 3aaf h LEU 967 N -0.06 0.76 -0.57 2.25 3.38 -0.95 -0.98 115.31 119.15 3aaf h LEU 967 Ca -0.01 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3aaf h LEU 967 Cb 0.90 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3aaf h LEU 967 CO 0.06 0.86 0.37 0.28 0.09 0.00 0.00 178.44 180.10 3aaf h SER 968 N 0.72 0.63 -0.42 -0.43 0.02 -1.07 -2.34 113.55 110.66 3aaf h SER 968 Ca 0.13 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3aaf h SER 968 Cb 0.51 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3aaf h SER 968 CO 0.03 0.45 0.22 0.00 -1.14 0.00 0.00 176.83 176.39 3aaf h ALA 969 N 1.22 0.54 -0.49 3.77 0.00 -0.35 0.87 119.26 124.82 3aaf h ALA 969 Ca 0.21 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3aaf h ALA 969 Cb -0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 3aaf h ALA 969 CO -0.06 0.08 0.11 0.28 0.00 0.00 0.00 179.25 179.66 3aaf h VAL 970 N 0.54 0.75 -0.41 0.00 2.07 -1.09 -1.94 116.25 116.17 3aaf h VAL 970 Ca 0.15 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 3aaf h VAL 970 Cb 0.08 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3aaf h VAL 970 CO -0.02 0.05 -0.02 -0.78 0.02 0.00 0.00 177.57 176.81 3aaf h ASP 971 N 0.25 0.72 -0.99 0.57 3.58 -0.89 -2.52 116.42 117.15 3aaf h ASP 971 Ca 0.24 -0.32 0.01 0.00 0.42 0.00 0.00 57.03 57.38 3aaf h ASP 971 Cb 0.31 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 3aaf h ASP 971 CO -0.31 0.87 0.65 0.40 -2.88 0.00 0.00 179.24 177.98 3aaf h ILE 972 N 0.56 1.26 -0.04 2.25 2.04 -0.60 -1.20 117.51 121.78 3aaf h ILE 972 Ca 0.11 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3aaf h ILE 972 Cb 0.52 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3aaf h ILE 972 CO 0.03 0.25 0.00 0.18 0.00 0.00 0.00 178.15 178.60 3aaf n LEU 973 N -4.38 0.51 -0.43 1.44 4.77 -0.75 -4.92 117.00 113.25 3aaf n LEU 973 Ca 0.12 -0.20 -0.05 0.00 -0.03 0.00 0.00 56.01 55.84 3aaf n LEU 973 Cb 0.01 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3aaf n LEU 973 CO 0.37 0.10 -0.05 0.61 -1.33 0.00 0.00 177.39 177.09 3aaf n GLY 974 N 0.94 0.75 2.90 -0.72 0.00 -0.45 -3.48 105.19 105.11 3aaf n GLY 974 Ca 0.17 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 3aaf n GLY 974 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3aaf n GLU 975 N -2.74 -3.47 0.00 1.61 1.02 -0.97 -4.84 120.64 111.26 3aaf n GLU 975 Ca -0.05 0.75 0.12 0.00 -0.02 0.00 0.00 57.16 57.95 3aaf n GLU 975 Cb 0.21 -5.49 0.10 0.00 -0.02 0.00 0.00 31.44 26.24 3aaf n GLU 975 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3aaf n LYS 976 N -3.55 0.93 -4.33 3.49 4.76 -1.23 -4.70 118.16 113.53 3aaf n LYS 976 Ca -0.12 -0.71 -0.17 0.00 -2.87 0.00 0.00 58.31 54.44 3aaf n LYS 976 Cb 0.61 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 32.22 3aaf n LYS 976 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3aaf s PHE 977 N -2.56 1.56 0.05 2.13 0.08 -1.26 -4.94 117.98 113.04 3aaf s PHE 977 Ca 0.19 -1.24 -0.01 0.00 0.12 0.00 0.00 56.93 55.99 3aaf s PHE 977 Cb 0.18 -0.90 0.01 0.00 -0.57 0.00 0.00 43.02 41.75 3aaf s PHE 977 CO 0.59 -0.39 0.05 0.41 -0.10 0.00 0.00 175.22 175.78 3aaf n GLY 978 N -0.51 -2.17 0.09 4.36 0.00 -1.25 -0.70 105.19 105.00 3aaf n GLY 978 Ca 0.00 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.65 3aaf n GLY 978 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3aaf n ILE 979 N -2.49 0.63 -0.17 -0.61 0.13 -1.26 -3.76 119.36 111.84 3aaf n ILE 979 Ca 0.01 -0.04 -0.07 0.00 -1.10 0.00 0.00 62.75 61.55 3aaf n ILE 979 Cb 0.02 -0.80 0.02 0.00 -0.84 0.00 0.00 39.64 38.04 3aaf n ILE 979 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3aaf h GLY 980 N 3.67 0.70 0.66 4.50 0.00 -2.00 -2.22 103.07 108.39 3aaf h GLY 980 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3aaf h GLY 980 CO 0.00 0.27 -0.01 1.41 0.00 0.00 0.00 176.54 178.21 3aaf h LEU 981 N 0.67 0.08 -0.98 3.11 3.38 -1.95 -0.73 115.31 118.89 3aaf h LEU 981 Ca 0.18 -0.38 0.28 0.00 0.09 0.00 0.00 57.88 58.05 3aaf h LEU 981 Cb -0.05 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.54 3aaf h LEU 981 CO -0.04 0.44 0.53 -0.65 0.09 0.00 0.00 178.44 178.81 3aaf h PRO 982 N -0.28 0.39 -0.19 1.13 0.11 -1.73 -0.60 132.00 130.83 3aaf h PRO 982 Ca 0.01 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 3aaf h PRO 982 Cb 0.41 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3aaf h PRO 982 CO 0.00 0.26 -0.39 0.82 -0.21 0.00 0.00 178.00 178.48 3aaf h ILE 983 N 0.40 1.33 -0.55 4.15 2.04 -1.00 -1.62 117.51 122.27 3aaf h ILE 983 Ca 0.67 -1.63 0.09 0.00 1.00 0.00 0.00 64.86 64.99 3aaf h ILE 983 Cb 1.42 1.90 -0.07 0.00 -0.74 0.00 0.00 36.82 39.33 3aaf h ILE 983 CO -0.56 0.50 0.15 -0.07 0.00 0.00 0.00 178.15 178.17 3aaf h LEU 984 N 0.26 0.09 -0.13 1.44 3.38 -0.54 0.99 115.31 120.81 3aaf h LEU 984 Ca 0.00 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3aaf h LEU 984 Cb 1.00 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 3aaf h LEU 984 CO 0.09 0.07 -0.19 0.15 0.09 0.00 0.00 178.44 178.65 3aaf h PHE 985 N 0.31 -0.48 -0.19 1.13 3.57 -1.04 -0.52 116.94 119.72 3aaf h PHE 985 Ca 0.28 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 3aaf h PHE 985 Cb 0.36 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3aaf h PHE 985 CO -0.20 -0.26 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.28 3aaf h LEU 986 N -0.24 0.35 -0.66 0.59 3.38 -0.70 -1.88 115.31 116.16 3aaf h LEU 986 Ca 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3aaf h LEU 986 Cb 0.38 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3aaf h LEU 986 CO -0.27 0.61 0.00 0.54 0.09 0.00 0.00 178.44 179.42 3aaf n ARG 987 N -4.13 1.45 -2.68 1.13 1.74 0.29 -0.08 116.66 114.37 3aaf n ARG 987 Ca -0.01 -0.66 -0.07 0.00 -0.77 0.00 0.00 57.85 56.35 3aaf n ARG 987 Cb 0.39 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.41 3aaf n ARG 987 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3aaf n GLY 988 N 1.07 0.46 3.77 -0.13 0.00 -0.83 -4.66 105.19 104.86 3aaf n GLY 988 Ca 0.19 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 3aaf n GLY 988 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3aaf s SER 989 N -3.03 6.13 -0.03 1.61 0.15 -0.26 -4.91 113.70 113.36 3aaf s SER 989 Ca 0.14 2.52 0.12 0.00 0.70 0.00 0.00 55.95 59.43 3aaf s SER 989 Cb -0.06 -2.62 0.42 0.00 -1.71 0.00 0.00 66.02 62.04 3aaf s SER 989 CO 0.17 -0.96 1.31 0.59 1.20 0.00 0.00 173.24 175.55 3aaf n ASN 990 N -0.25 2.72 -4.71 5.45 3.02 -1.26 -4.92 115.26 115.30 3aaf n ASN 990 Ca 0.06 -2.13 -0.42 0.00 -0.03 0.00 0.00 54.58 52.06 3aaf n ASN 990 Cb 0.46 -0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3aaf n ASN 990 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3aaf n SER 991 N 0.70 2.84 0.20 6.41 2.88 -1.26 -4.89 113.62 120.49 3aaf n SER 991 Ca 0.15 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 59.01 3aaf n SER 991 Cb 0.48 -1.50 0.69 0.00 -0.75 0.00 0.00 64.21 63.12 3aaf n SER 991 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 3aaf h GLN 992 N 2.51 0.00 0.00 -1.46 3.07 -2.02 -2.59 115.11 114.62 3aaf h GLN 992 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.25 3aaf h GLN 992 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.84 3aaf h GLN 992 CO 0.62 0.00 -0.12 0.00 0.09 0.00 0.00 178.83 179.42 3aaf h ARG 993 N 0.00 0.00 -4.92 0.06 3.08 -2.00 -3.41 114.38 107.19 3aaf h ARG 993 Ca 0.07 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.47 3aaf h ARG 993 Cb 0.27 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.14 3aaf h ARG 993 CO -0.00 0.12 -0.54 -1.17 -1.07 0.00 0.00 179.97 177.31 3aaf s LEU 994 N -8.37 3.90 0.47 3.04 2.96 -0.98 -5.07 118.68 114.63 3aaf s LEU 994 Ca -0.04 -0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.58 3aaf s LEU 994 Cb 0.15 -2.08 -0.07 0.00 0.50 0.00 0.00 46.19 44.70 3aaf s LEU 994 CO 0.66 -0.04 1.32 0.00 -1.32 0.00 0.00 176.35 176.96 3aaf s ALA 995 N 1.69 3.06 0.52 5.97 0.00 -1.26 -4.85 121.76 126.89 3aaf s ALA 995 Ca 0.07 1.25 0.20 0.00 0.00 0.00 0.00 51.96 53.48 3aaf s ALA 995 Cb -0.16 -3.51 1.39 0.00 0.00 0.00 0.00 23.12 20.84 3aaf s ALA 995 CO 0.09 -1.04 2.15 -0.44 0.00 0.00 0.00 175.76 176.53 3aaf h ASP 996 N 2.09 0.00 -0.38 0.00 3.32 -1.94 -2.52 116.42 116.98 3aaf h ASP 996 Ca -0.50 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.62 3aaf h ASP 996 Cb 1.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 3aaf h ASP 996 CO 0.60 0.03 0.26 0.06 -1.72 0.00 0.00 179.24 178.48 3aaf h GLN 997 N 0.00 0.17 0.00 3.56 3.07 -2.03 -1.30 115.11 118.59 3aaf h GLN 997 Ca -0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.69 3aaf h GLN 997 Cb 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 3aaf h GLN 997 CO 0.00 0.12 -0.18 1.88 0.09 0.00 0.00 178.83 180.74 3aaf h TYR 998 N 0.18 0.00 0.00 0.06 0.05 -1.83 -2.98 116.97 112.45 3aaf h TYR 998 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3aaf h TYR 998 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3aaf h TYR 998 CO -0.00 0.18 0.00 0.54 -1.05 0.00 0.00 178.16 177.83 3aaf n ARG 999 N -3.25 0.05 0.01 4.88 1.74 -0.49 -1.69 116.66 117.91 3aaf n ARG 999 Ca 0.01 0.26 0.12 0.00 -0.77 0.00 0.00 57.85 57.47 3aaf n ARG 999 Cb 0.47 -1.59 0.25 0.00 -1.02 0.00 0.00 32.46 30.57 3aaf n ARG 999 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3aaf n ARG 1000N -1.68 0.05 -2.33 5.56 1.74 -1.12 -4.90 116.66 113.97 3aaf n ARG 1000Ca 0.04 0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.75 3aaf n ARG 1000Cb 0.21 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 3aaf n ARG 1000CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3aaf s HIS 1001N -3.03 3.12 0.45 -1.55 2.46 -0.68 -4.94 115.29 111.11 3aaf s HIS 1001Ca 0.10 1.57 0.18 0.00 0.47 0.00 0.00 55.06 57.39 3aaf s HIS 1001Cb 0.17 -3.36 1.16 0.00 -0.13 0.00 0.00 32.58 30.42 3aaf s HIS 1001CO 0.70 -1.20 2.03 0.66 -2.47 0.00 0.00 174.74 174.46 3aaf h SER 1002N 2.68 0.00 0.95 9.88 4.64 -1.91 -2.35 113.55 127.45 3aaf h SER 1002Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3aaf h SER 1002Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3aaf h SER 1002CO 0.63 0.16 -0.03 0.18 -0.87 0.00 0.00 176.83 176.90 3aaf n LEU 1003N -4.12 0.03 -4.69 5.97 4.77 -1.26 -4.79 117.00 112.91 3aaf n LEU 1003Ca -0.02 0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 3aaf n LEU 1003Cb 0.23 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 3aaf n LEU 1003CO 0.34 0.01 1.45 0.12 -1.33 0.00 0.00 177.39 177.98 3aaf s PHE 1004N -2.98 2.09 0.00 -1.77 5.36 -0.89 -2.18 117.98 117.62 3aaf s PHE 1004Ca 0.15 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.12 3aaf s PHE 1004Cb 0.19 -4.13 0.00 0.00 -0.34 0.00 0.00 43.02 38.74 3aaf s PHE 1004CO 0.54 -4.69 0.00 0.41 -1.46 0.00 0.00 175.22 170.01 3aaf n GLY 1005N 4.22 0.67 0.11 13.12 0.00 -0.74 -4.85 105.19 117.73 3aaf n GLY 1005Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 3aaf n GLY 1005CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3aaf n THR 1006N -2.57 0.00 -0.72 2.61 -2.24 -0.88 -3.40 114.28 107.08 3aaf n THR 1006Ca 0.00 -0.06 0.08 0.00 -2.27 0.00 0.00 64.05 61.80 3aaf n THR 1006Cb 0.01 -0.02 0.28 0.00 -2.10 0.00 0.00 70.33 68.50 3aaf n THR 1006CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3aaf n GLY 1007N 1.33 3.34 0.33 3.38 0.00 0.89 -4.69 105.19 109.77 3aaf n GLY 1007Ca 0.13 -0.84 0.15 0.00 0.00 0.00 0.00 46.02 45.46 3aaf n GLY 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3aaf h LYS 1008N 2.65 0.00 0.00 1.61 1.57 -1.56 -2.64 116.57 118.20 3aaf h LYS 1008Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3aaf h LYS 1008Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3aaf h LYS 1008CO 0.21 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.69 3aaf n ASP 1009N -4.27 0.00 -4.27 0.86 5.75 -1.26 -4.66 116.55 108.70 3aaf n ASP 1009Ca 0.03 -1.12 -0.27 0.00 -0.01 0.00 0.00 54.79 53.42 3aaf n ASP 1009Cb 0.36 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.31 3aaf n ASP 1009CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3aaf s GLN 1010N -2.00 1.58 0.70 0.11 -1.52 -1.00 -5.14 119.66 112.39 3aaf s GLN 1010Ca 0.36 -0.95 -0.11 0.00 -1.95 0.00 0.00 55.36 52.70 3aaf s GLN 1010Cb 0.17 -1.67 0.02 0.00 -0.22 0.00 0.00 33.01 31.30 3aaf s GLN 1010CO 0.28 0.44 1.07 0.95 -0.25 0.00 0.00 175.29 177.78 3aaf s THR 1011N -0.74 3.75 0.26 -0.19 -4.23 -1.26 -4.86 115.64 108.36 3aaf s THR 1011Ca 0.09 0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 61.18 3aaf s THR 1011Cb -0.09 -3.24 0.24 0.00 1.34 0.00 0.00 72.50 70.75 3aaf s THR 1011CO 0.01 -0.70 1.83 -0.08 -0.54 0.00 0.00 174.62 175.14 3aaf h GLU 1012N -0.67 0.88 -0.66 3.99 4.81 -1.96 -1.74 114.58 119.25 3aaf h GLU 1012Ca -0.44 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 3aaf h GLU 1012Cb 1.22 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 3aaf h GLU 1012CO 0.55 0.59 0.37 1.03 -0.73 0.00 0.00 179.01 180.82 3aaf h SER 1013N 0.91 0.56 0.11 1.04 0.87 -1.99 -1.19 113.55 113.86 3aaf h SER 1013Ca 0.42 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.00 3aaf h SER 1013Cb 0.34 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3aaf h SER 1013CO -0.23 0.37 -0.05 -0.25 -0.53 0.00 0.00 176.83 176.14 3aaf h TRP 1014N 0.70 -0.13 -0.98 2.24 7.01 -1.70 -1.18 115.95 121.91 3aaf h TRP 1014Ca 0.29 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.34 3aaf h TRP 1014Cb 0.15 0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.19 3aaf h TRP 1014CO -0.07 -0.03 0.63 -1.49 -2.79 0.00 0.00 178.44 174.69 3aaf h TRP 1015N -0.20 1.18 -0.02 2.65 4.06 -1.15 0.30 115.95 122.77 3aaf h TRP 1015Ca -0.01 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 3aaf h TRP 1015Cb 0.16 -0.39 -0.00 0.00 -1.00 0.00 0.00 29.16 27.93 3aaf h TRP 1015CO -0.05 0.64 0.01 0.87 -3.56 0.00 0.00 178.44 176.34 3aaf h LYS 1016N 1.18 0.03 -0.84 0.49 1.57 -1.07 0.14 116.57 118.06 3aaf h LYS 1016Ca 0.41 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.27 3aaf h LYS 1016Cb 0.10 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.33 3aaf h LYS 1016CO -0.15 0.16 0.50 0.00 -0.57 0.00 0.00 179.45 179.38 3aaf h ALA 1017N 0.87 1.19 -0.33 3.86 0.00 -0.65 -1.85 119.26 122.35 3aaf h ALA 1017Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3aaf h ALA 1017Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3aaf h ALA 1017CO -0.00 0.16 0.11 0.35 0.00 0.00 0.00 179.25 179.87 3aaf h PHE 1018N 0.85 0.52 -0.68 0.00 3.57 -0.12 -2.55 116.94 118.54 3aaf h PHE 1018Ca 0.39 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.89 3aaf h PHE 1018Cb 0.31 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 3aaf h PHE 1018CO -0.05 0.52 0.45 0.66 -2.23 0.00 0.00 178.31 177.66 3aaf h SER 1019N 0.38 0.68 -0.37 0.41 4.64 -0.32 -1.85 113.55 117.11 3aaf h SER 1019Ca 0.11 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3aaf h SER 1019Cb 0.23 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3aaf h SER 1019CO -0.00 0.46 0.23 0.03 -0.87 0.00 0.00 176.83 176.67 3aaf h ARG 1020N 0.78 0.50 -0.69 4.77 2.47 -0.95 -1.16 114.38 120.11 3aaf h ARG 1020Ca 0.28 -0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.99 3aaf h ARG 1020Cb 0.13 -0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.30 3aaf h ARG 1020CO -0.08 0.37 0.42 1.96 0.56 0.00 0.00 179.97 183.20 3aaf h GLN 1021N 0.49 0.79 -0.17 0.04 1.08 -1.07 -1.64 115.11 114.63 3aaf h GLN 1021Ca 0.13 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.21 3aaf h GLN 1021Cb -0.01 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 3aaf h GLN 1021CO -0.03 0.52 -0.22 -0.07 -0.95 0.00 0.00 178.83 178.09 3aaf h LEU 1022N 0.81 0.30 0.16 1.46 3.38 -1.03 0.21 115.31 120.60 3aaf h LEU 1022Ca 0.28 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3aaf h LEU 1022Cb 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3aaf h LEU 1022CO -0.12 0.53 -0.08 0.40 0.09 0.00 0.00 178.44 179.26 3aaf h ILE 1023N 0.28 0.95 -0.99 1.22 2.04 -0.99 0.11 117.51 120.13 3aaf h ILE 1023Ca 0.05 -0.50 0.10 0.00 1.00 0.00 0.00 64.86 65.51 3aaf h ILE 1023Cb 0.55 1.25 -0.08 0.00 -0.74 0.00 0.00 36.82 37.80 3aaf h ILE 1023CO 0.04 0.12 0.62 0.74 0.00 0.00 0.00 178.15 179.67 3aaf h THR 1024N -0.46 0.97 -0.01 -0.27 2.02 -0.96 -1.35 112.91 112.85 3aaf h THR 1024Ca -0.02 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3aaf h THR 1024Cb 0.36 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3aaf h THR 1024CO 0.04 0.19 -0.05 -0.62 0.37 0.00 0.00 175.52 175.45 3aaf n GLU 1025N -4.59 1.07 -0.80 6.66 -0.58 0.03 -4.94 120.64 117.49 3aaf n GLU 1025Ca 0.17 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 3aaf n GLU 1025Cb 0.30 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 3aaf n GLU 1025CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3aaf n GLY 1026N 1.17 0.69 0.09 0.62 0.00 -0.51 -4.96 105.19 102.29 3aaf n GLY 1026Ca 0.18 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3aaf n GLY 1026CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3aaf n PHE 1027N -2.71 0.76 -4.22 1.61 3.72 0.33 -4.27 117.46 112.68 3aaf n PHE 1027Ca 0.00 0.25 -0.18 0.00 -0.05 0.00 0.00 57.45 57.47 3aaf n PHE 1027Cb 0.08 -1.01 -0.11 0.00 -0.94 0.00 0.00 39.48 37.49 3aaf n PHE 1027CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3aaf s LEU 1028N -5.59 2.38 0.01 4.37 1.43 -1.09 -1.93 118.68 118.26 3aaf s LEU 1028Ca -0.04 -0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 52.29 3aaf s LEU 1028Cb 0.09 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.78 3aaf s LEU 1028CO 0.82 -0.14 -0.01 -0.69 0.23 0.00 0.00 176.35 176.55 3aaf s VAL 1029N -1.98 0.09 -0.06 -1.59 1.01 -0.20 -4.24 120.40 113.42 3aaf s VAL 1029Ca 0.06 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 3aaf s VAL 1029Cb -0.06 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 3aaf s VAL 1029CO 0.02 -0.40 0.32 -1.61 0.00 0.00 0.00 175.10 173.44 3aaf s GLU 1030N -1.19 3.85 -0.06 2.72 2.02 -1.26 -0.66 118.70 124.12 3aaf s GLU 1030Ca -0.13 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.09 3aaf s GLU 1030Cb -0.08 -3.25 0.02 0.00 0.10 0.00 0.00 34.13 30.93 3aaf s GLU 1030CO -0.01 0.64 -0.04 0.08 0.02 0.00 0.00 175.26 175.95 3aaf s VAL 1031N -0.80 0.57 0.32 2.63 1.01 0.07 -4.95 120.40 119.24 3aaf s VAL 1031Ca 0.21 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 3aaf s VAL 1031Cb -0.15 -0.63 -0.11 0.00 0.00 0.00 0.00 36.38 35.49 3aaf s VAL 1031CO 0.10 0.26 1.45 -0.55 0.00 0.00 0.00 175.10 176.36 3aaf s SER 1032N 1.36 6.53 0.06 3.32 0.15 -1.26 -0.83 113.70 123.03 3aaf s SER 1032Ca -0.04 2.85 -0.24 0.00 0.70 0.00 0.00 55.95 59.23 3aaf s SER 1032Cb -0.13 -2.65 0.06 0.00 -1.71 0.00 0.00 66.02 61.59 3aaf s SER 1032CO -0.03 -0.76 0.56 -0.60 1.20 0.00 0.00 173.24 173.62 3aaf s ARG 1033N -1.28 1.10 0.00 5.44 3.52 -1.10 -4.88 118.95 121.75 3aaf s ARG 1033Ca 0.56 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.93 3aaf s ARG 1033Cb -0.44 0.51 0.00 0.00 -1.56 0.00 0.00 34.95 33.46 3aaf s ARG 1033CO 0.53 -0.41 0.00 0.66 -0.81 0.00 0.00 175.30 175.26 3aaf n TYR 1034N 0.28 0.00 -4.00 5.12 4.01 -1.26 -4.30 117.16 117.00 3aaf n TYR 1034Ca -0.18 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.44 3aaf n TYR 1034Cb 0.61 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.61 3aaf n TYR 1034CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3aaf s ASN 1035N -0.82 0.50 0.61 7.72 2.20 -1.26 -5.05 114.94 118.85 3aaf s ASN 1035Ca 0.00 -1.30 0.36 0.00 -0.94 0.00 0.00 52.86 50.99 3aaf s ASN 1035Cb 0.00 0.70 2.01 0.00 -2.00 0.00 0.00 41.25 41.96 3aaf s ASN 1035CO 0.00 -1.37 2.26 0.07 -2.94 0.00 0.00 177.10 175.13 3aaf h LYS 1036N 2.11 0.00 0.00 3.55 2.10 -2.03 -2.19 116.57 120.11 3aaf h LYS 1036Ca -0.29 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.27 3aaf h LYS 1036Cb 1.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 3aaf h LYS 1036CO 0.38 0.02 -0.57 0.74 -2.00 0.00 0.00 179.45 178.02 3aaf h PHE 1037N 0.00 0.00 -2.80 0.07 0.04 -1.96 -3.48 116.94 108.80 3aaf h PHE 1037Ca -0.00 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.13 3aaf h PHE 1037Cb 0.09 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.18 3aaf h PHE 1037CO 0.00 0.43 -0.48 -1.64 -0.60 0.00 0.00 178.31 176.02 3aaf s MET 1038N -3.00 3.45 0.02 1.51 -1.94 -0.82 -5.09 119.30 113.43 3aaf s MET 1038Ca 0.03 -0.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.73 3aaf s MET 1038Cb 0.07 -3.10 -0.02 0.00 2.01 0.00 0.00 34.83 33.79 3aaf s MET 1038CO 0.75 0.68 -0.04 -1.59 -0.01 0.00 0.00 175.02 174.81 3aaf s LYS 1039N -1.86 0.35 0.31 2.03 -2.85 -1.26 -2.71 119.74 113.75 3aaf s LYS 1039Ca 0.26 -0.66 0.10 0.00 -1.00 0.00 0.00 55.97 54.68 3aaf s LYS 1039Cb -0.13 0.07 -0.05 0.00 -2.06 0.00 0.00 37.83 35.66 3aaf s LYS 1039CO 0.17 -0.04 -0.04 0.96 0.10 0.00 0.00 175.35 176.51 3aaf s ILE 1040N -1.57 2.78 -0.23 3.79 -5.25 -0.01 -3.86 121.20 116.84 3aaf s ILE 1040Ca -0.14 -2.05 -0.05 0.00 -0.99 0.00 0.00 60.65 57.42 3aaf s ILE 1040Cb -0.09 -2.71 -0.01 0.00 2.95 0.00 0.00 42.46 42.60 3aaf s ILE 1040CO -0.01 -0.28 -0.02 0.00 -1.79 0.00 0.00 174.94 172.84 3aaf s ALA 1042N 1.50 2.91 0.20 0.00 0.00 0.16 -4.69 121.76 121.85 3aaf s ALA 1042Ca 0.05 -1.72 -0.30 0.00 0.00 0.00 0.00 51.96 49.99 3aaf s ALA 1042Cb -0.15 -0.52 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 3aaf s ALA 1042CO -0.02 0.31 1.22 -0.51 0.00 0.00 0.00 175.76 176.76 3aaf s LEU 1043N -3.42 4.45 0.99 0.00 1.43 -1.26 -1.04 118.68 119.83 3aaf s LEU 1043Ca 0.29 2.29 -0.15 0.00 -1.03 0.00 0.00 54.13 55.53 3aaf s LEU 1043Cb -0.06 -3.61 0.19 0.00 0.03 0.00 0.00 46.19 42.74 3aaf s LEU 1043CO 0.16 -0.40 1.20 0.42 0.23 0.00 0.00 176.35 177.96 3aaf s THR 1044N -0.11 1.90 0.25 5.49 -4.23 -0.81 -4.81 115.64 113.31 3aaf s THR 1044Ca 0.53 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.98 3aaf s THR 1044Cb -0.34 -2.80 0.24 0.00 1.34 0.00 0.00 72.50 70.94 3aaf s THR 1044CO 0.38 0.00 1.90 0.11 -0.54 0.00 0.00 174.62 176.47 3aaf h LYS 1045N -1.78 1.27 -0.45 3.99 1.57 -1.89 -0.67 116.57 118.60 3aaf h LYS 1045Ca -0.47 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.20 3aaf h LYS 1045Cb 1.29 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3aaf h LYS 1045CO 0.47 0.88 0.26 -0.22 -0.57 0.00 0.00 179.45 180.28 3aaf h LYS 1046N 1.29 0.62 -0.77 3.15 3.64 -1.90 -0.66 116.57 121.95 3aaf h LYS 1046Ca 0.34 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 3aaf h LYS 1046Cb -0.07 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 3aaf h LYS 1046CO -0.06 0.47 0.29 0.78 -2.27 0.00 0.00 179.45 178.66 3aaf h GLY 1047N 0.60 1.25 1.25 5.01 0.00 -1.52 -1.17 103.07 108.48 3aaf h GLY 1047Ca 0.16 -0.69 -0.17 0.00 0.00 0.00 0.00 47.33 46.63 3aaf h GLY 1047CO -0.03 0.65 -0.50 -0.09 0.00 0.00 0.00 176.54 176.57 3aaf h ARG 1048N 1.12 0.80 -0.84 4.80 2.43 -0.92 -0.99 114.38 120.77 3aaf h ARG 1048Ca 0.25 -0.48 -0.03 0.00 -0.81 0.00 0.00 59.98 58.91 3aaf h ARG 1048Cb 0.24 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3aaf h ARG 1048CO -0.02 1.11 0.39 -0.91 -1.51 0.00 0.00 179.97 179.04 3aaf h ASN 1049N 0.63 1.11 -0.07 -3.80 2.35 -0.95 -0.11 115.58 114.74 3aaf h ASN 1049Ca 0.02 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3aaf h ASN 1049Cb 1.09 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 39.17 3aaf h ASN 1049CO 0.11 0.95 0.01 -0.25 -1.65 0.00 0.00 177.43 176.60 3aaf h TRP 1050N 1.21 0.13 -0.76 1.19 7.01 -1.04 -2.53 115.95 121.15 3aaf h TRP 1050Ca 0.29 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.25 3aaf h TRP 1050Cb 0.14 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.12 3aaf h TRP 1050CO 0.02 0.33 0.40 1.25 -2.79 0.00 0.00 178.44 177.65 3aaf h LEU 1051N -0.12 0.96 -0.70 0.65 5.85 -1.02 0.88 115.31 121.82 3aaf h LEU 1051Ca 0.02 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3aaf h LEU 1051Cb 0.27 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3aaf h LEU 1051CO 0.00 0.79 0.45 -0.74 -0.34 0.00 0.00 178.44 178.60 3aaf h HIS 1052N 1.07 0.84 -0.29 1.25 2.76 -0.90 -0.14 115.15 119.74 3aaf h HIS 1052Ca 0.27 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.30 3aaf h HIS 1052Cb 0.06 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.74 3aaf h HIS 1052CO 0.01 0.49 -0.44 0.87 -1.30 0.00 0.00 177.93 177.55 3aaf h LYS 1053N 0.88 0.81 0.00 5.26 1.57 -1.08 -3.21 116.57 120.80 3aaf h LYS 1053Ca 0.28 -0.49 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3aaf h LYS 1053Cb -0.01 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3aaf h LYS 1053CO -0.10 1.12 -0.02 0.00 -0.57 0.00 0.00 179.45 179.88 3aaf h ALA 1054N 0.68 1.67 0.00 3.86 0.00 -0.26 -2.32 119.26 122.90 3aaf h ALA 1054Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3aaf h ALA 1054Cb 1.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3aaf h ALA 1054CO 0.10 0.03 -0.10 -0.91 0.00 0.00 0.00 179.25 178.37 3aaf h ASN 1055N 0.00 0.00 0.00 0.00 -0.26 -1.04 -3.29 115.58 110.99 3aaf h ASN 1055Ca -0.00 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.56 3aaf h ASN 1055Cb 0.04 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 3aaf h ASN 1055CO 0.00 0.10 -1.79 0.35 -1.06 0.00 0.00 177.43 175.03 3aaf n THR 1056N -3.42 0.69 -3.69 2.81 -2.24 -0.90 -5.03 114.28 102.50 3aaf n THR 1056Ca -0.01 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 3aaf n THR 1056Cb 0.26 -0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 67.88 3aaf n THR 1056CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3aaf s GLU 1057N -2.40 0.73 0.27 -0.78 -1.05 -1.01 -5.14 118.70 109.33 3aaf s GLU 1057Ca -0.06 0.18 -0.29 0.00 -0.15 0.00 0.00 54.97 54.65 3aaf s GLU 1057Cb 0.04 0.34 -0.14 0.00 -0.44 0.00 0.00 34.13 33.93 3aaf s GLU 1057CO 0.51 -0.18 1.13 0.43 0.95 0.00 0.00 175.26 178.09 3aaf n SER 1058N 1.66 1.74 -4.43 0.83 7.64 -1.26 -3.96 113.62 115.85 3aaf n SER 1058Ca -0.18 1.17 -0.30 0.00 1.01 0.00 0.00 58.87 60.57 3aaf n SER 1058Cb 0.56 -1.33 -0.13 0.00 -1.01 0.00 0.00 64.21 62.31 3aaf n SER 1058CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3aaf s GLN 1059N -1.28 1.78 0.42 1.43 -1.52 -1.26 -4.96 119.66 114.27 3aaf s GLN 1059Ca 0.61 -1.15 -0.18 0.00 -1.95 0.00 0.00 55.36 52.70 3aaf s GLN 1059Cb -0.69 -2.06 -0.10 0.00 -0.22 0.00 0.00 33.01 29.94 3aaf s GLN 1059CO 0.58 0.50 0.90 -1.54 -0.25 0.00 0.00 175.29 175.47 3aaf s SER 1060N -1.73 6.82 -0.33 5.90 1.04 -1.26 -4.41 113.70 119.73 3aaf s SER 1060Ca 0.15 1.54 -0.02 0.00 0.48 0.00 0.00 55.95 58.10 3aaf s SER 1060Cb -0.10 -2.48 0.12 0.00 0.10 0.00 0.00 66.02 63.66 3aaf s SER 1060CO 0.06 -0.37 0.18 -0.22 0.98 0.00 0.00 173.24 173.87 3aaf s LEU 1061N -3.33 0.79 0.02 2.42 0.20 -1.26 -4.81 118.68 112.70 3aaf s LEU 1061Ca 0.59 -1.81 -0.30 0.00 0.69 0.00 0.00 54.13 53.30 3aaf s LEU 1061Cb -0.10 -0.37 -0.04 0.00 -0.43 0.00 0.00 46.19 45.26 3aaf s LEU 1061CO 0.18 -0.36 0.96 -0.63 -0.29 0.00 0.00 176.35 176.21 3aaf s ILE 1062N 1.50 4.81 0.03 6.68 -1.09 -1.26 -0.74 121.20 131.13 3aaf s ILE 1062Ca 0.14 2.03 0.09 0.00 -2.23 0.00 0.00 60.65 60.69 3aaf s ILE 1062Cb -0.20 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.34 3aaf s ILE 1062CO -0.15 0.20 -0.26 -0.76 -1.23 0.00 0.00 174.94 172.74 3aaf s LEU 1063N 0.80 2.17 0.00 2.97 1.02 -0.17 -4.96 118.68 120.51 3aaf s LEU 1063Ca 0.50 -0.56 0.00 0.00 0.02 0.00 0.00 54.13 54.09 3aaf s LEU 1063Cb -0.21 -1.31 0.00 0.00 0.02 0.00 0.00 46.19 44.69 3aaf s LEU 1063CO 0.28 0.27 0.00 0.00 0.02 0.00 0.00 176.35 176.92