#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdg n GLN 970 N 0.00 0.54 -0.03 3.52 6.02 -1.26 -3.94 117.38 122.23 1wdg n GLN 970 Ca 0.00 -0.05 -0.14 0.00 -0.01 0.00 0.00 57.00 56.79 1wdg n GLN 970 Cb 0.00 -1.63 -0.09 0.00 1.02 0.00 0.00 30.24 29.54 1wdg n GLN 970 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1wdg h LYS 971 N 0.00 0.27 -0.76 -1.09 6.56 -1.98 -2.33 116.57 117.23 1wdg h LYS 971 Ca 0.00 -0.20 0.01 0.00 -1.06 0.00 0.00 60.65 59.40 1wdg h LYS 971 Cb 0.92 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.58 1wdg h LYS 971 CO 0.00 0.82 0.50 1.98 -2.06 0.00 0.00 179.45 180.70 1wdg h MET 972 N -0.24 0.99 0.52 3.15 4.05 -1.99 0.42 114.93 121.83 1wdg h MET 972 Ca -0.01 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 1wdg h MET 972 Cb 0.85 -0.22 0.01 0.00 -0.80 0.00 0.00 31.60 31.43 1wdg h MET 972 CO 0.05 0.66 -0.25 0.82 0.23 0.00 0.00 176.91 178.42 1wdg h ILE 973 N 1.02 0.37 -1.00 1.77 2.04 -1.68 -1.42 117.51 118.61 1wdg h ILE 973 Ca 0.28 -0.38 0.21 0.00 1.00 0.00 0.00 64.86 65.97 1wdg h ILE 973 Cb -0.11 0.51 -0.11 0.00 -0.74 0.00 0.00 36.82 36.37 1wdg h ILE 973 CO -0.07 0.05 0.61 0.00 0.00 0.00 0.00 178.15 178.75 1wdg h ALA 974 N -0.66 1.77 -0.48 1.87 0.00 -1.27 0.41 119.26 120.90 1wdg h ALA 974 Ca -0.07 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1wdg h ALA 974 Cb 0.61 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1wdg h ALA 974 CO 0.12 -0.17 -0.20 1.03 0.00 0.00 0.00 179.25 180.03 1wdg h SER 975 N 0.68 1.01 0.73 0.00 0.87 -0.01 -0.96 113.55 115.86 1wdg h SER 975 Ca 0.59 -0.39 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1wdg h SER 975 Cb 1.04 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1wdg h SER 975 CO -0.39 1.17 -0.48 0.00 -0.53 0.00 0.00 176.83 176.61 1wdg h ALA 976 N 0.87 1.01 0.26 6.23 0.00 -0.03 -2.69 119.26 124.90 1wdg h ALA 976 Ca 0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1wdg h ALA 976 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wdg h ALA 976 CO 0.06 0.60 -0.12 0.35 0.00 0.00 0.00 179.25 180.14 1wdg h PHE 977 N 0.00 -0.32 -0.57 0.00 3.57 -0.80 -2.43 116.94 116.39 1wdg h PHE 977 Ca -0.00 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1wdg h PHE 977 Cb 0.97 0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.70 1wdg h PHE 977 CO 0.00 -0.05 -0.23 -0.91 -2.23 0.00 0.00 178.31 174.89 1wdg h ASN 978 N -1.02 -0.80 -0.70 0.41 2.35 -1.21 0.64 115.58 115.26 1wdg h ASN 978 Ca -0.04 0.20 0.14 0.00 -0.55 0.00 0.00 56.30 56.05 1wdg h ASN 978 Cb 0.42 0.45 -0.10 0.00 0.05 0.00 0.00 38.32 39.14 1wdg h ASN 978 CO 0.06 -0.25 0.20 -1.13 -1.65 0.00 0.00 177.43 174.66 1wdg h ASN 979 N -0.08 0.10 -0.63 5.81 -0.73 -1.56 -0.05 115.58 118.44 1wdg h ASN 979 Ca 0.26 0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.55 1wdg h ASN 979 Cb 0.49 0.15 -0.03 0.00 0.27 0.00 0.00 38.32 39.20 1wdg h ASN 979 CO -0.63 0.03 0.36 0.00 -0.37 0.00 0.00 177.43 176.81 1wdg h ALA 980 N 1.55 0.80 -0.62 1.57 0.00 0.61 -2.25 119.26 120.92 1wdg h ALA 980 Ca 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1wdg h ALA 980 Cb 0.60 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1wdg h ALA 980 CO -0.44 0.31 0.33 -0.07 0.00 0.00 0.00 179.25 179.38 1wdg h LEU 981 N 0.85 0.76 -0.61 0.00 3.38 0.14 -0.60 115.31 119.23 1wdg h LEU 981 Ca 0.22 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1wdg h LEU 981 Cb 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1wdg h LEU 981 CO -0.04 0.62 0.23 1.23 0.09 0.00 0.00 178.44 180.57 1wdg h GLY 982 N 0.93 0.98 1.51 0.83 0.00 -0.64 -2.39 103.07 104.29 1wdg h GLY 982 Ca 0.22 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 46.84 1wdg h GLY 982 CO -0.03 0.51 -0.58 0.00 0.00 0.00 0.00 176.54 176.44 1wdg h ALA 983 N 1.08 0.70 -0.02 3.60 0.00 -1.03 -2.04 119.26 121.56 1wdg h ALA 983 Ca 0.20 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wdg h ALA 983 Cb 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wdg h ALA 983 CO -0.01 0.70 0.01 0.82 0.00 0.00 0.00 179.25 180.76 1wdg h ILE 984 N 0.38 1.17 -0.41 0.00 2.04 -0.96 0.18 117.51 119.92 1wdg h ILE 984 Ca 0.00 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.40 1wdg h ILE 984 Cb 1.12 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.64 1wdg h ILE 984 CO 0.11 0.13 0.17 1.56 0.00 0.00 0.00 178.15 180.12 1wdg h GLN 985 N -0.18 0.34 -0.90 2.37 4.20 -1.49 0.21 115.11 119.67 1wdg h GLN 985 Ca 0.01 -0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.84 1wdg h GLN 985 Cb 0.21 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 27.82 1wdg h GLN 985 CO -0.00 0.23 0.50 -0.44 -0.67 0.00 0.00 178.83 178.45 1wdg h ASP 986 N 0.35 0.64 -0.26 1.46 5.19 -1.06 0.22 116.42 122.97 1wdg h ASP 986 Ca 0.18 0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 56.58 1wdg h ASP 986 Cb 0.13 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 1wdg h ASP 986 CO -0.16 0.28 -0.23 1.23 -3.12 0.00 0.00 179.24 177.24 1wdg h GLY 987 N 0.71 0.67 2.00 2.75 0.00 0.14 -2.48 103.07 106.86 1wdg h GLY 987 Ca 0.49 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1wdg h GLY 987 CO -0.35 0.60 -0.30 0.74 0.00 0.00 0.00 176.54 177.24 1wdg h PHE 988 N 0.34 0.00 -0.26 5.60 0.05 -0.04 -1.37 116.94 121.25 1wdg h PHE 988 Ca 0.05 0.00 -0.18 0.00 3.82 0.00 0.00 57.97 61.66 1wdg h PHE 988 Cb 0.78 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.73 1wdg h PHE 988 CO 0.07 0.30 -0.55 0.22 -0.18 0.00 0.00 178.31 178.18 1wdg h ASP 989 N 0.00 0.88 -0.13 2.17 3.58 -0.52 -1.64 116.42 120.76 1wdg h ASP 989 Ca -0.00 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 56.96 1wdg h ASP 989 Cb 0.78 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 1wdg h ASP 989 CO 0.04 1.25 0.03 0.00 -2.88 0.00 0.00 179.24 177.68 1wdg h ALA 990 N 0.77 0.17 -0.51 -0.78 0.00 -1.19 -0.98 119.26 116.74 1wdg h ALA 990 Ca 0.01 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1wdg h ALA 990 Cb 1.14 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1wdg h ALA 990 CO 0.12 -0.19 0.20 1.15 0.00 0.00 0.00 179.25 180.52 1wdg h THR 991 N 0.01 0.84 -0.46 0.00 2.02 -1.18 0.40 112.91 114.54 1wdg h THR 991 Ca 0.04 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 1wdg h THR 991 Cb 0.26 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1wdg h THR 991 CO 0.00 0.07 0.04 0.78 0.37 0.00 0.00 175.52 176.78 1wdg h ASN 992 N 0.38 0.77 0.01 4.18 -0.26 -1.19 0.27 115.58 119.74 1wdg h ASN 992 Ca 0.25 -0.29 -0.06 0.00 -0.56 0.00 0.00 56.30 55.64 1wdg h ASN 992 Cb 0.25 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1wdg h ASN 992 CO -0.24 0.86 -0.15 0.77 -1.06 0.00 0.00 177.43 177.61 1wdg h SER 993 N 0.65 0.27 -0.54 5.81 4.64 -0.72 -1.34 113.55 122.31 1wdg h SER 993 Ca 0.14 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 1wdg h SER 993 Cb 0.45 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1wdg h SER 993 CO 0.02 0.44 -0.04 0.00 -0.87 0.00 0.00 176.83 176.38 1wdg h ALA 994 N 1.59 0.74 -0.82 5.18 0.00 -0.31 -1.91 119.26 123.72 1wdg h ALA 994 Ca 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wdg h ALA 994 Cb 0.43 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1wdg h ALA 994 CO 0.03 0.59 0.49 -0.07 0.00 0.00 0.00 179.25 180.29 1wdg h LEU 995 N 0.86 0.98 -0.18 0.00 3.38 -0.31 -0.76 115.31 119.29 1wdg h LEU 995 Ca 0.15 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1wdg h LEU 995 Cb 0.59 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1wdg h LEU 995 CO 0.04 0.76 -0.16 1.23 0.09 0.00 0.00 178.44 180.39 1wdg h GLY 996 N 1.12 -0.06 0.96 0.83 0.00 -0.77 0.03 103.07 105.20 1wdg h GLY 996 Ca 0.29 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1wdg h GLY 996 CO -0.06 -0.16 0.21 0.50 0.00 0.00 0.00 176.54 177.03 1wdg h LYS 997 N -0.18 0.54 -0.49 4.80 1.57 -0.96 -2.43 116.57 119.42 1wdg h LYS 997 Ca 0.11 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1wdg h LYS 997 Cb 0.35 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1wdg h LYS 997 CO -0.29 0.44 0.24 0.82 -0.57 0.00 0.00 179.45 180.10 1wdg h ILE 998 N 0.49 1.19 -0.58 1.86 2.04 -0.76 -1.28 117.51 120.47 1wdg h ILE 998 Ca 0.13 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1wdg h ILE 998 Cb 0.06 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1wdg h ILE 998 CO -0.02 0.21 0.36 -0.61 0.00 0.00 0.00 178.15 178.09 1wdg h GLN 999 N 0.64 0.78 0.64 2.37 4.15 -0.89 -0.26 115.11 122.55 1wdg h GLN 999 Ca 0.17 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1wdg h GLN 999 Cb 0.11 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 27.63 1wdg h GLN 999 CO -0.02 0.55 -0.31 1.03 -1.93 0.00 0.00 178.83 178.15 1wdg h SER 1000N 0.78 -0.73 0.11 -0.69 0.87 -1.30 -1.44 113.55 111.15 1wdg h SER 1000Ca 0.21 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1wdg h SER 1000Cb -0.04 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1wdg h SER 1000CO -0.04 -0.41 -0.14 0.58 -0.53 0.00 0.00 176.83 176.29 1wdg h VAL 1001N -1.04 0.67 -0.56 2.23 2.07 -1.20 0.38 116.25 118.81 1wdg h VAL 1001Ca -0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1wdg h VAL 1001Cb 0.70 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 1wdg h VAL 1001CO 0.14 0.00 0.21 0.58 0.02 0.00 0.00 177.57 178.52 1wdg h VAL 1002N -0.29 0.80 -0.42 2.57 2.07 -1.11 0.19 116.25 120.06 1wdg h VAL 1002Ca 0.02 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 1wdg h VAL 1002Cb 0.30 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1wdg h VAL 1002CO -0.06 0.07 -0.20 0.78 0.02 0.00 0.00 177.57 178.18 1wdg h ASN 1003N 0.39 0.90 -0.90 0.57 2.35 -1.03 -0.03 115.58 117.82 1wdg h ASN 1003Ca 0.28 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1wdg h ASN 1003Cb 0.32 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1wdg h ASN 1003CO -0.28 1.10 0.54 0.00 -1.65 0.00 0.00 177.43 177.14 1wdg h ALA 1004N 0.83 1.15 0.00 -0.83 0.00 0.40 -0.94 119.26 119.86 1wdg h ALA 1004Ca 0.09 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1wdg h ALA 1004Cb 0.76 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wdg h ALA 1004CO 0.06 0.62 -0.44 -0.91 0.00 0.00 0.00 179.25 178.58 1wdg h ASN 1005N 1.25 0.00 -0.37 0.00 2.35 -0.48 -2.25 115.58 116.08 1wdg h ASN 1005Ca 0.32 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.96 1wdg h ASN 1005Cb -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1wdg h ASN 1005CO -0.06 0.44 -0.22 0.00 -1.65 0.00 0.00 177.43 175.95 1wdg h ALA 1006N 1.56 0.53 -0.27 -0.83 0.00 -0.18 -2.07 119.26 118.00 1wdg h ALA 1006Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1wdg h ALA 1006Cb 1.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1wdg h ALA 1006CO 0.06 0.50 0.09 0.93 0.00 0.00 0.00 179.25 180.82 1wdg h GLU 1007N 0.60 0.41 -0.75 0.00 4.39 -1.09 0.07 114.58 118.21 1wdg h GLU 1007Ca 0.08 -0.09 0.16 0.00 0.34 0.00 0.00 59.36 59.85 1wdg h GLU 1007Cb 0.78 -0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.25 1wdg h GLU 1007CO 0.06 0.48 0.20 0.00 -1.16 0.00 0.00 179.01 178.59 1wdg h ALA 1008N 0.92 0.99 -0.25 3.43 0.00 -1.32 0.27 119.26 123.31 1wdg h ALA 1008Ca 0.09 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1wdg h ALA 1008Cb 0.23 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wdg h ALA 1008CO -0.00 -0.33 -0.30 1.25 0.00 0.00 0.00 179.25 179.86 1wdg h LEU 1009N 0.29 0.70 -1.24 0.00 5.85 -1.03 -2.47 115.31 117.41 1wdg h LEU 1009Ca 0.43 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1wdg h LEU 1009Cb 0.73 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1wdg h LEU 1009CO -0.51 1.06 -0.34 -1.13 -0.34 0.00 0.00 178.44 177.18 1wdg h ASN 1010N 0.37 0.00 -0.37 1.25 -0.73 -0.21 -1.83 115.58 114.06 1wdg h ASN 1010Ca 0.03 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.09 1wdg h ASN 1010Cb 0.88 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.46 1wdg h ASN 1010CO 0.07 0.34 -0.22 0.78 -0.37 0.00 0.00 177.43 178.03 1wdg h ASN 1011N 0.00 0.83 -0.59 1.15 4.21 -0.46 -2.67 115.58 118.05 1wdg h ASN 1011Ca -0.00 -0.42 -0.06 0.00 1.21 0.00 0.00 56.30 57.02 1wdg h ASN 1011Cb 0.71 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.65 1wdg h ASN 1011CO 0.04 1.07 0.13 0.25 -1.29 0.00 0.00 177.43 177.63 1wdg h LEU 1012N 0.59 0.91 -1.54 1.61 5.85 -0.93 -1.11 115.31 120.69 1wdg h LEU 1012Ca 0.08 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1wdg h LEU 1012Cb 0.77 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1wdg h LEU 1012CO 0.06 0.92 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.89 1wdg h LEU 1013N 0.86 0.14 0.09 2.25 3.38 -1.34 -1.50 115.31 119.19 1wdg h LEU 1013Ca 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wdg h LEU 1013Cb 0.38 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1wdg h LEU 1013CO 0.01 0.28 -0.04 0.78 0.09 0.00 0.00 178.44 179.55 1wdg h ASN 1014N 0.15 -0.10 -0.96 -0.43 2.35 -1.05 -2.97 115.58 112.56 1wdg h ASN 1014Ca 0.03 -0.44 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1wdg h ASN 1014Cb 0.30 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 1wdg h ASN 1014CO 0.02 0.42 0.58 1.56 -1.65 0.00 0.00 177.43 178.37 1wdg h GLN 1015N -0.68 1.30 0.00 0.81 4.20 -1.07 0.55 115.11 120.21 1wdg h GLN 1015Ca -0.01 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1wdg h GLN 1015Cb 0.54 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1wdg h GLN 1015CO 0.02 0.90 0.00 -0.07 -0.67 0.00 0.00 178.83 179.01 1wdg h LEU 1016N 1.32 0.00 0.00 1.46 3.38 -1.32 -3.08 115.31 117.07 1wdg h LEU 1016Ca 0.34 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.94 1wdg h LEU 1016Cb -0.07 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1wdg h LEU 1016CO -0.07 0.00 -2.30 -1.54 0.09 0.00 0.00 178.44 174.62 1wdg n SER 1017N -2.78 1.92 -0.05 -0.43 3.41 -0.40 -5.09 113.62 110.20 1wdg n SER 1017Ca -0.01 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1wdg n SER 1017Cb 0.13 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1wdg n SER 1017CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1wdg n LEU 1018N -3.69 0.00 -0.83 1.04 7.94 0.18 -5.10 117.00 116.53 1wdg n LEU 1018Ca -0.44 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.45 1wdg n LEU 1018Cb 0.87 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.82 1wdg n LEU 1018CO 0.11 0.00 0.01 -0.11 -1.11 0.00 0.00 177.39 176.28 1wdg n LEU 1224N 0.00 -2.08 -4.64 -1.96 7.94 -1.26 -5.11 117.00 109.89 1wdg n LEU 1224Ca 0.00 -0.03 -0.24 0.00 -1.11 0.00 0.00 56.01 54.63 1wdg n LEU 1224Cb 0.00 -0.62 -0.08 0.00 0.53 0.00 0.00 43.42 43.24 1wdg n LEU 1224CO 0.00 0.03 -0.30 0.20 -1.11 0.00 0.00 177.39 176.21 1wdg s ASN 1225N -3.04 4.27 0.04 1.96 -0.87 -1.26 -5.13 114.94 110.91 1wdg s ASN 1225Ca 0.02 -0.93 0.06 0.00 -1.57 0.00 0.00 52.86 50.44 1wdg s ASN 1225Cb -0.01 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.25 40.61 1wdg s ASN 1225CO 0.04 -0.21 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.51 1wdg s VAL 1226N -2.49 3.03 0.14 1.60 1.01 -1.26 -5.13 120.40 117.31 1wdg s VAL 1226Ca 0.35 -1.10 0.10 0.00 0.00 0.00 0.00 61.98 61.33 1wdg s VAL 1226Cb -0.01 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1wdg s VAL 1226CO 0.20 0.33 -0.24 -0.89 0.00 0.00 0.00 175.10 174.49 1wdg s THR 1227N -0.97 2.12 0.19 3.92 2.01 -1.26 -5.11 115.64 116.54 1wdg s THR 1227Ca 0.16 -1.77 0.07 0.00 0.31 0.00 0.00 61.69 60.45 1wdg s THR 1227Cb -0.11 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1wdg s THR 1227CO 0.06 -0.01 0.06 -0.76 -0.69 0.00 0.00 174.62 173.29 1wdg s LEU 1228N -2.18 3.52 0.14 4.42 1.43 -1.26 -4.89 118.68 119.86 1wdg s LEU 1228Ca 0.14 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 52.83 1wdg s LEU 1228Cb -0.09 -2.13 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 1wdg s LEU 1228CO 0.06 0.06 0.45 -0.76 0.23 0.00 0.00 176.35 176.40 1wdg s LEU 1229N -3.15 4.28 -0.27 1.79 1.43 -1.26 -5.08 118.68 116.42 1wdg s LEU 1229Ca 0.29 0.80 -0.04 0.00 -1.03 0.00 0.00 54.13 54.16 1wdg s LEU 1229Cb -0.09 -3.29 0.09 0.00 0.03 0.00 0.00 46.19 42.93 1wdg s LEU 1229CO 0.21 0.07 0.12 -0.62 0.23 0.00 0.00 176.35 176.35 1wdg s ASP 1230N -2.10 3.37 -0.20 2.29 -1.08 -1.26 -4.99 116.67 112.70 1wdg s ASP 1230Ca 0.40 -1.20 0.15 0.00 -0.52 0.00 0.00 52.55 51.38 1wdg s ASP 1230Cb -0.13 -0.40 0.56 0.00 -1.46 0.00 0.00 42.92 41.49 1wdg s ASP 1230CO 0.21 -0.42 1.47 0.18 0.52 0.00 0.00 175.17 177.13 1wdg n LEU 1231N 5.20 4.14 -0.00 -1.34 4.77 -1.26 -4.71 117.00 123.80 1wdg n LEU 1231Ca -0.06 -3.11 -0.11 0.00 -0.03 0.00 0.00 56.01 52.71 1wdg n LEU 1231Cb 0.43 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1wdg n LEU 1231CO 0.06 0.74 0.91 0.74 -1.33 0.00 0.00 177.39 178.51 1wdg h THR 1232N 1.88 1.02 0.06 -5.08 2.02 -1.98 1.00 112.91 111.84 1wdg h THR 1232Ca 0.04 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1wdg h THR 1232Cb 1.55 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 68.79 1wdg h THR 1232CO 0.29 0.02 -0.43 0.22 0.37 0.00 0.00 175.52 175.99 1wdg h TYR 1233N 0.13 -1.21 -0.45 3.16 3.20 -1.99 0.20 116.97 120.01 1wdg h TYR 1233Ca 0.04 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1wdg h TYR 1233Cb -0.01 0.52 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1wdg h TYR 1233CO -0.07 -0.52 0.23 0.93 -1.64 0.00 0.00 178.16 177.09 1wdg h GLU 1234N -0.63 0.44 -0.27 1.82 3.07 -1.87 0.11 114.58 117.26 1wdg h GLU 1234Ca 0.03 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1wdg h GLU 1234Cb 0.67 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1wdg h GLU 1234CO -0.28 0.29 -0.09 0.52 -1.40 0.00 0.00 179.01 178.05 1wdg h MET 1235N 0.46 0.44 -0.47 2.33 2.86 -0.55 -0.44 114.93 119.55 1wdg h MET 1235Ca 0.19 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 1wdg h MET 1235Cb 0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1wdg h MET 1235CO -0.13 0.54 -0.20 -0.91 1.06 0.00 0.00 176.91 177.27 1wdg h ASN 1236N 0.41 0.97 -0.37 1.22 4.21 0.38 -0.74 115.58 121.66 1wdg h ASN 1236Ca 0.08 -0.36 -0.05 0.00 1.21 0.00 0.00 56.30 57.18 1wdg h ASN 1236Cb 0.42 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 1wdg h ASN 1236CO 0.02 1.13 0.02 0.03 -1.29 0.00 0.00 177.43 177.35 1wdg h ARG 1237N 0.82 0.64 -0.46 0.81 3.08 -0.26 -0.69 114.38 118.33 1wdg h ARG 1237Ca 0.11 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1wdg h ARG 1237Cb 0.76 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1wdg h ARG 1237CO 0.06 0.73 0.19 0.82 -1.07 0.00 0.00 179.97 180.70 1wdg h ILE 1238N 0.46 1.17 -0.41 2.04 2.04 -0.99 0.69 117.51 122.51 1wdg h ILE 1238Ca 0.11 -0.51 -0.12 0.00 1.00 0.00 0.00 64.86 65.34 1wdg h ILE 1238Cb 0.43 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1wdg h ILE 1238CO 0.01 0.20 -0.22 -0.61 0.00 0.00 0.00 178.15 177.53 1wdg h GLN 1239N 0.65 0.82 -0.48 2.37 5.75 -0.73 -1.30 115.11 122.19 1wdg h GLN 1239Ca 0.16 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.27 1wdg h GLN 1239Cb 0.11 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1wdg h GLN 1239CO -0.02 0.96 0.08 -0.44 -2.65 0.00 0.00 178.83 176.77 1wdg h ASP 1240N 0.71 0.76 -0.71 -0.69 3.32 -0.05 -2.66 116.42 117.10 1wdg h ASP 1240Ca 0.10 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1wdg h ASP 1240Cb 0.75 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1wdg h ASP 1240CO 0.06 0.82 0.44 0.00 -1.72 0.00 0.00 179.24 178.84 1wdg h ALA 1241N 0.96 0.91 -0.69 3.45 0.00 -0.60 -0.23 119.26 123.06 1wdg h ALA 1241Ca 0.15 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1wdg h ALA 1241Cb 0.38 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1wdg h ALA 1241CO 0.01 0.36 0.45 0.82 0.00 0.00 0.00 179.25 180.89 1wdg h ILE 1242N 0.97 1.15 0.00 0.00 2.04 -1.01 -0.15 117.51 120.50 1wdg h ILE 1242Ca 0.26 -0.31 -0.14 0.00 1.00 0.00 0.00 64.86 65.67 1wdg h ILE 1242Cb -0.06 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1wdg h ILE 1242CO -0.05 0.16 -0.68 0.11 0.00 0.00 0.00 178.15 177.69 1wdg h LYS 1243N 0.89 0.00 -0.16 2.37 1.79 -1.04 -2.70 116.57 117.72 1wdg h LYS 1243Ca 0.26 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.68 1wdg h LYS 1243Cb -0.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1wdg h LYS 1243CO -0.06 0.68 -0.11 -0.22 -1.08 0.00 0.00 179.45 178.66 1wdg h LYS 1244N 0.00 0.35 -0.92 3.15 3.64 0.01 -2.89 116.57 119.91 1wdg h LYS 1244Ca -0.01 -0.17 0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1wdg h LYS 1244Cb 1.38 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.12 1wdg h LYS 1244CO 0.09 0.70 0.55 -0.07 -2.27 0.00 0.00 179.45 178.44 1wdg h LEU 1245N 0.01 0.78 -1.70 5.20 3.38 -1.04 0.18 115.31 122.11 1wdg h LEU 1245Ca 0.03 0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.26 1wdg h LEU 1245Cb 0.61 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1wdg h LEU 1245CO 0.03 0.41 0.57 0.78 0.09 0.00 0.00 178.44 180.32 1wdg h ASN 1246N 0.87 0.25 0.67 -0.43 -0.26 -1.26 0.50 115.58 115.92 1wdg h ASN 1246Ca 0.46 0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 56.14 1wdg h ASN 1246Cb 0.47 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1wdg h ASN 1246CO -0.27 0.10 -0.38 -0.33 -1.06 0.00 0.00 177.43 175.49 1wdg h GLU 1247N 0.25 0.00 0.00 0.81 5.08 -0.94 -3.12 114.58 116.66 1wdg h GLU 1247Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1wdg h GLU 1247Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1wdg h GLU 1247CO -0.11 0.38 0.00 0.43 -1.00 0.00 0.00 179.01 178.71 1wdg n SER 1248N -3.68 0.38 -4.61 1.42 7.64 0.17 -4.87 113.62 110.07 1wdg n SER 1248Ca -0.01 0.56 -0.44 0.00 1.01 0.00 0.00 58.87 59.99 1wdg n SER 1248Cb 0.47 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 63.01 1wdg n SER 1248CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1wdg n TYR 1249N -1.88 1.41 -3.74 1.43 4.02 -1.18 -4.93 117.16 112.28 1wdg n TYR 1249Ca 0.05 0.68 -0.38 0.00 -0.01 0.00 0.00 57.90 58.24 1wdg n TYR 1249Cb 0.31 -2.27 -0.12 0.00 -0.02 0.00 0.00 39.34 37.23 1wdg n TYR 1249CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1wdg s ILE 1250N -1.07 4.04 -0.15 -0.72 -1.09 -1.26 -5.06 121.20 115.89 1wdg s ILE 1250Ca 0.58 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.99 1wdg s ILE 1250Cb -0.68 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1wdg s ILE 1250CO 0.60 0.04 1.55 0.21 -1.23 0.00 0.00 174.94 176.11 1wdg s ASN 1251N 1.50 6.61 0.51 3.58 3.84 -1.26 -4.89 114.94 124.84 1wdg s ASN 1251Ca 0.02 1.87 0.23 0.00 0.21 0.00 0.00 52.86 55.19 1wdg s ASN 1251Cb -0.17 -2.53 1.38 0.00 -0.55 0.00 0.00 41.25 39.37 1wdg s ASN 1251CO 0.03 -1.02 2.10 -0.07 -2.79 0.00 0.00 177.10 175.35 1wdg h LEU 1252N 10.70 0.00 -0.48 3.21 3.38 -1.98 -2.24 115.31 127.90 1wdg h LEU 1252Ca -0.34 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.46 1wdg h LEU 1252Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1wdg h LEU 1252CO 0.98 0.10 -0.68 0.50 0.09 0.00 0.00 178.44 179.43 1wdg h LYS 1253N 0.00 0.36 0.00 1.13 3.64 -2.05 -3.51 116.57 116.15 1wdg h LYS 1253Ca -0.00 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1wdg h LYS 1253Cb 0.22 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1wdg h LYS 1253CO 0.01 0.91 0.00 -1.91 -2.27 0.00 0.00 179.45 176.19