#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdg h LYS 971 N 0.00 0.11 -0.13 3.69 1.57 -1.98 0.07 116.57 119.90 1wdg h LYS 971 Ca 0.00 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 1wdg h LYS 971 Cb 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1wdg h LYS 971 CO 0.00 0.90 -0.19 1.98 -0.57 0.00 0.00 179.45 181.57 1wdg h MET 972 N 0.06 0.36 0.36 3.15 4.05 -2.03 -1.23 114.93 119.65 1wdg h MET 972 Ca -0.03 -0.21 -0.01 0.00 -0.28 0.00 0.00 59.70 59.17 1wdg h MET 972 Cb 1.48 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.30 1wdg h MET 972 CO 0.12 0.79 -0.22 0.82 0.23 0.00 0.00 176.91 178.65 1wdg h ILE 973 N -0.04 0.53 -0.49 1.77 2.04 -1.97 -0.96 117.51 118.40 1wdg h ILE 973 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 1wdg h ILE 973 Cb 0.75 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1wdg h ILE 973 CO 0.04 0.00 0.18 0.00 0.00 0.00 0.00 178.15 178.37 1wdg h ALA 974 N 0.05 0.60 -0.63 1.87 0.00 -1.04 -1.09 119.26 119.01 1wdg h ALA 974 Ca -0.04 0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1wdg h ALA 974 Cb 0.46 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1wdg h ALA 974 CO 0.04 -0.21 0.34 0.77 0.00 0.00 0.00 179.25 180.19 1wdg h SER 975 N 0.36 0.49 0.26 0.00 0.02 -0.93 0.34 113.55 114.09 1wdg h SER 975 Ca 0.23 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.14 1wdg h SER 975 Cb 0.23 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1wdg h SER 975 CO -0.23 0.32 -0.33 0.00 -1.14 0.00 0.00 176.83 175.45 1wdg h ALA 976 N 1.34 1.34 -0.19 3.77 0.00 -0.80 -1.20 119.26 123.52 1wdg h ALA 976 Ca 0.29 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1wdg h ALA 976 Cb 0.19 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1wdg h ALA 976 CO -0.19 0.47 -0.62 0.35 0.00 0.00 0.00 179.25 179.27 1wdg h PHE 977 N 0.10 0.99 -0.63 0.00 3.57 -0.04 -2.47 116.94 118.47 1wdg h PHE 977 Ca 0.01 -0.40 -0.05 0.00 3.53 0.00 0.00 57.97 61.06 1wdg h PHE 977 Cb 0.64 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1wdg h PHE 977 CO 0.01 1.22 0.21 -0.91 -2.23 0.00 0.00 178.31 176.61 1wdg h ASN 978 N 0.48 0.90 -0.15 0.41 2.35 -0.10 -1.03 115.58 118.44 1wdg h ASN 978 Ca -0.02 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1wdg h ASN 978 Cb 1.24 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 1wdg h ASN 978 CO 0.13 0.86 0.07 0.78 -1.65 0.00 0.00 177.43 177.62 1wdg h ASN 979 N 0.90 0.10 -0.21 5.81 -0.26 -1.23 -1.65 115.58 119.05 1wdg h ASN 979 Ca 0.21 0.01 0.06 0.00 -0.56 0.00 0.00 56.30 56.01 1wdg h ASN 979 Cb 0.27 -0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.45 1wdg h ASN 979 CO -0.01 0.08 -0.19 0.00 -1.06 0.00 0.00 177.43 176.25 1wdg h ALA 980 N 1.08 -0.07 -0.53 -0.83 0.00 -1.07 -1.83 119.26 116.02 1wdg h ALA 980 Ca 0.06 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1wdg h ALA 980 Cb 0.02 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1wdg h ALA 980 CO -0.05 -0.62 -0.08 -0.07 0.00 0.00 0.00 179.25 178.43 1wdg h LEU 981 N -0.20 -0.38 -1.36 0.00 3.38 -0.82 0.24 115.31 116.15 1wdg h LEU 981 Ca 0.13 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.30 1wdg h LEU 981 Cb 0.39 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1wdg h LEU 981 CO -0.33 -0.14 0.48 1.23 0.09 0.00 0.00 178.44 179.77 1wdg h GLY 982 N 0.04 0.97 2.00 0.83 0.00 -0.52 -0.75 103.07 105.65 1wdg h GLY 982 Ca 0.26 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.13 1wdg h GLY 982 CO -0.50 0.24 -0.70 0.00 0.00 0.00 0.00 176.54 175.58 1wdg h ALA 983 N 1.60 0.64 -0.19 3.60 0.00 -0.24 -2.69 119.26 121.97 1wdg h ALA 983 Ca 0.31 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 1wdg h ALA 983 Cb 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wdg h ALA 983 CO -0.10 0.87 -0.59 0.82 0.00 0.00 0.00 179.25 180.25 1wdg h ILE 984 N 0.00 1.31 -0.45 0.00 2.04 0.81 -2.54 117.51 118.68 1wdg h ILE 984 Ca -0.01 -1.83 -0.11 0.00 1.00 0.00 0.00 64.86 63.91 1wdg h ILE 984 Cb 1.42 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 1wdg h ILE 984 CO 0.09 0.57 -0.13 1.56 0.00 0.00 0.00 178.15 180.24 1wdg h GLN 985 N 0.47 0.89 -0.38 2.37 4.20 -1.39 -1.83 115.11 119.44 1wdg h GLN 985 Ca 0.00 -0.35 0.04 0.00 0.06 0.00 0.00 58.65 58.40 1wdg h GLN 985 Cb 1.15 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 1wdg h GLN 985 CO 0.11 1.00 0.13 -0.44 -0.67 0.00 0.00 178.83 178.97 1wdg h ASP 986 N 0.72 0.14 -0.51 1.46 3.32 -1.41 0.33 116.42 120.48 1wdg h ASP 986 Ca 0.11 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.22 1wdg h ASP 986 Cb 0.69 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1wdg h ASP 986 CO 0.05 0.12 0.31 1.23 -1.72 0.00 0.00 179.24 179.23 1wdg h GLY 987 N 0.29 0.72 1.85 2.75 0.00 -1.27 0.50 103.07 107.92 1wdg h GLY 987 Ca 0.17 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 1wdg h GLY 987 CO -0.18 0.20 -0.56 0.74 0.00 0.00 0.00 176.54 176.75 1wdg h PHE 988 N 0.62 0.19 0.15 5.60 0.05 -1.04 0.36 116.94 122.86 1wdg h PHE 988 Ca 0.20 -0.07 -0.01 0.00 3.82 0.00 0.00 57.97 61.92 1wdg h PHE 988 Cb 0.01 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 37.92 1wdg h PHE 988 CO -0.06 0.68 -0.07 0.22 -0.18 0.00 0.00 178.31 178.89 1wdg h ASP 989 N 0.12 -0.17 -0.68 2.17 1.82 0.24 0.15 116.42 120.06 1wdg h ASP 989 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1wdg h ASP 989 Cb 1.02 0.04 -0.03 0.00 0.68 0.00 0.00 39.33 41.04 1wdg h ASP 989 CO 0.08 -0.12 0.38 0.00 -1.61 0.00 0.00 179.24 177.97 1wdg h ALA 990 N 0.66 0.87 -0.27 -0.78 0.00 -0.73 -0.32 119.26 118.70 1wdg h ALA 990 Ca -0.02 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1wdg h ALA 990 Cb 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1wdg h ALA 990 CO 0.03 0.38 0.13 1.15 0.00 0.00 0.00 179.25 180.95 1wdg h THR 991 N 0.93 0.99 -0.89 0.00 2.02 -0.51 0.26 112.91 115.71 1wdg h THR 991 Ca 0.24 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1wdg h THR 991 Cb 0.03 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1wdg h THR 991 CO -0.04 0.05 0.50 0.78 0.37 0.00 0.00 175.52 177.19 1wdg h ASN 992 N 0.28 1.11 -0.28 4.18 4.21 -0.21 -0.15 115.58 124.72 1wdg h ASN 992 Ca 0.11 -0.09 -0.06 0.00 1.21 0.00 0.00 56.30 57.47 1wdg h ASN 992 Cb 0.03 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 36.93 1wdg h ASN 992 CO -0.07 0.88 -0.02 -1.28 -1.29 0.00 0.00 177.43 175.65 1wdg h SER 993 N 1.25 0.58 -0.52 5.81 0.87 -0.69 -2.70 113.55 118.15 1wdg h SER 993 Ca 0.32 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.65 1wdg h SER 993 Cb 0.00 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1wdg h SER 993 CO -0.05 0.67 -0.06 0.00 -0.53 0.00 0.00 176.83 176.85 1wdg h ALA 994 N 1.40 0.71 0.00 6.23 0.00 0.22 -2.86 119.26 124.96 1wdg h ALA 994 Ca 0.12 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1wdg h ALA 994 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1wdg h ALA 994 CO 0.02 0.58 -0.30 -0.07 0.00 0.00 0.00 179.25 179.47 1wdg h LEU 995 N 0.83 0.00 0.02 0.00 3.38 -0.84 -2.52 115.31 116.18 1wdg h LEU 995 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wdg h LEU 995 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1wdg h LEU 995 CO 0.04 0.30 -0.01 1.23 0.09 0.00 0.00 178.44 180.09 1wdg h GLY 996 N 1.01 -0.03 0.93 0.83 0.00 -1.34 -2.42 103.07 102.06 1wdg h GLY 996 Ca -0.00 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1wdg h GLY 996 CO 0.04 -0.01 0.33 0.50 0.00 0.00 0.00 176.54 177.40 1wdg h LYS 997 N -0.48 0.65 -0.13 4.80 1.57 -1.40 -1.84 116.57 119.74 1wdg h LYS 997 Ca -0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wdg h LYS 997 Cb 0.46 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1wdg h LYS 997 CO 0.00 0.43 0.00 0.82 -0.57 0.00 0.00 179.45 180.14 1wdg h ILE 998 N 0.67 0.91 -0.50 1.86 2.04 -1.48 -0.32 117.51 120.69 1wdg h ILE 998 Ca 0.20 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 66.00 1wdg h ILE 998 Cb -0.03 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1wdg h ILE 998 CO -0.07 0.01 0.11 -0.61 0.00 0.00 0.00 178.15 177.59 1wdg h GLN 999 N 0.05 0.76 -0.64 2.37 4.15 -1.27 0.55 115.11 121.08 1wdg h GLN 999 Ca 0.06 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 59.25 1wdg h GLN 999 Cb 0.07 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 1wdg h GLN 999 CO -0.10 0.70 0.10 1.03 -1.93 0.00 0.00 178.83 178.63 1wdg h SER 1000N 0.74 1.02 0.01 -0.69 0.87 -0.91 -1.80 113.55 112.79 1wdg h SER 1000Ca 0.16 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1wdg h SER 1000Cb 0.29 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1wdg h SER 1000CO -0.00 1.02 -0.01 0.58 -0.53 0.00 0.00 176.83 177.90 1wdg h VAL 1001N 0.98 0.84 -0.98 2.23 2.07 -0.47 -0.45 116.25 120.47 1wdg h VAL 1001Ca 0.20 -1.60 0.21 0.00 0.82 0.00 0.00 66.70 66.33 1wdg h VAL 1001Cb 0.44 1.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.69 1wdg h VAL 1001CO 0.01 0.28 0.62 0.58 0.02 0.00 0.00 177.57 179.08 1wdg h VAL 1002N -0.99 0.67 0.01 2.57 2.07 -0.00 0.12 116.25 120.68 1wdg h VAL 1002Ca -0.00 -0.20 -0.20 0.00 0.82 0.00 0.00 66.70 67.12 1wdg h VAL 1002Cb 0.47 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1wdg h VAL 1002CO 0.00 0.11 -0.93 0.78 0.02 0.00 0.00 177.57 177.55 1wdg h ASN 1003N 0.58 0.05 -0.10 0.57 -0.26 -1.39 0.05 115.58 115.06 1wdg h ASN 1003Ca 0.54 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 56.22 1wdg h ASN 1003Cb 1.10 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1wdg h ASN 1003CO -0.29 0.95 -0.02 0.00 -1.06 0.00 0.00 177.43 177.00 1wdg h ALA 1004N 1.05 0.14 -0.20 -0.83 0.00 0.89 -2.16 119.26 118.15 1wdg h ALA 1004Ca -0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1wdg h ALA 1004Cb 1.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1wdg h ALA 1004CO 0.12 -0.13 -0.32 -0.91 0.00 0.00 0.00 179.25 178.02 1wdg h ASN 1005N -0.12 0.41 -0.10 0.00 2.35 -0.95 -1.47 115.58 115.69 1wdg h ASN 1005Ca 0.03 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1wdg h ASN 1005Cb 0.43 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1wdg h ASN 1005CO 0.01 0.71 0.06 0.00 -1.65 0.00 0.00 177.43 176.55 1wdg h ALA 1006N 1.32 0.13 0.00 -0.83 0.00 -0.91 -0.08 119.26 118.89 1wdg h ALA 1006Ca 0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1wdg h ALA 1006Cb 0.73 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1wdg h ALA 1006CO 0.06 -0.33 -0.35 0.93 0.00 0.00 0.00 179.25 179.56 1wdg h GLU 1007N 0.07 0.00 0.04 0.00 5.08 -1.27 -0.72 114.58 117.79 1wdg h GLU 1007Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1wdg h GLU 1007Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1wdg h GLU 1007CO -0.01 0.35 -0.02 0.00 -1.00 0.00 0.00 179.01 178.33 1wdg h ALA 1008N 1.65 -0.06 0.00 3.43 0.00 -0.77 -0.49 119.26 123.02 1wdg h ALA 1008Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wdg h ALA 1008Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1wdg h ALA 1008CO 0.05 -0.37 0.00 1.25 0.00 0.00 0.00 179.25 180.17 1wdg h LEU 1009N -0.39 0.00 0.09 0.00 5.85 -0.75 -1.14 115.31 118.98 1wdg h LEU 1009Ca -0.01 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.42 1wdg h LEU 1009Cb 0.35 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.41 1wdg h LEU 1009CO 0.01 0.00 -1.21 -1.13 -0.34 0.00 0.00 178.44 175.77 1wdg h ASN 1010N 0.00 0.87 -0.46 1.25 -1.24 -0.46 -2.66 115.58 112.88 1wdg h ASN 1010Ca 0.00 -0.78 -0.06 0.00 0.71 0.00 0.00 56.30 56.17 1wdg h ASN 1010Cb 0.17 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 1wdg h ASN 1010CO 0.00 1.59 0.08 0.78 -1.29 0.00 0.00 177.43 178.59 1wdg h ASN 1011N 0.30 0.78 0.11 1.15 2.35 0.13 -2.84 115.58 117.57 1wdg h ASN 1011Ca -0.17 -0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.27 1wdg h ASN 1011Cb 1.87 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 40.03 1wdg h ASN 1011CO 0.23 0.80 -0.54 0.25 -1.65 0.00 0.00 177.43 176.52 1wdg h LEU 1012N 0.79 0.51 -0.87 1.61 5.85 -1.43 -3.21 115.31 118.55 1wdg h LEU 1012Ca 0.17 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 1wdg h LEU 1012Cb 0.36 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1wdg h LEU 1012CO 0.01 0.94 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.57 1wdg h LEU 1013N 0.35 0.00 -2.12 2.25 3.38 -1.25 -3.00 115.31 114.92 1wdg h LEU 1013Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1wdg h LEU 1013Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1wdg h LEU 1013CO 0.10 0.41 0.01 0.59 0.09 0.00 0.00 178.44 179.63 1wdg n ASN 1014N -3.55 3.04 -0.05 -0.43 3.02 -1.09 -2.86 115.26 113.35 1wdg n ASN 1014Ca -0.00 -2.41 0.01 0.00 -0.03 0.00 0.00 54.58 52.15 1wdg n ASN 1014Cb 0.53 -0.58 -0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1wdg n ASN 1014CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wdg n GLN 1015N 0.25 3.31 -0.13 3.52 6.02 -1.13 -4.02 117.38 125.20 1wdg n GLN 1015Ca 0.12 -0.28 0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1wdg n GLN 1015Cb 0.67 -0.80 0.14 0.00 1.02 0.00 0.00 30.24 31.27 1wdg n GLN 1015CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1wdg n LEU 1016N -0.54 2.81 0.00 1.08 7.94 -1.13 -5.15 117.00 122.01 1wdg n LEU 1016Ca 0.01 -1.54 0.00 0.00 -1.11 0.00 0.00 56.01 53.37 1wdg n LEU 1016Cb 0.05 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 43.83 1wdg n LEU 1016CO 0.04 0.63 0.00 -0.24 -1.11 0.00 0.00 177.39 176.71 1wdg n SER 1017N 0.88 0.00 0.00 1.96 2.88 -1.21 -5.13 113.62 113.01 1wdg n SER 1017Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1wdg n SER 1017Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1wdg n SER 1017CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1wdg n LEU 1229N 0.00 0.00 -3.60 2.46 7.94 -1.26 -5.04 117.00 117.51 1wdg n LEU 1229Ca 0.00 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.63 1wdg n LEU 1229Cb 0.00 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.78 1wdg n LEU 1229CO 0.00 0.00 -0.33 -0.62 -1.11 0.00 0.00 177.39 175.33 1wdg s ASP 1230N 0.00 2.57 -0.15 1.96 -1.08 -1.26 -4.95 116.67 113.76 1wdg s ASP 1230Ca 0.00 -0.74 0.16 0.00 -0.52 0.00 0.00 52.55 51.45 1wdg s ASP 1230Cb 0.00 -0.26 0.69 0.00 -1.46 0.00 0.00 42.92 41.88 1wdg s ASP 1230CO 0.00 -0.37 1.60 0.18 0.52 0.00 0.00 175.17 177.10 1wdg n LEU 1231N 5.27 4.75 -0.20 -1.34 4.77 -1.26 -4.72 117.00 124.28 1wdg n LEU 1231Ca -0.07 -2.66 -0.12 0.00 -0.03 0.00 0.00 56.01 53.13 1wdg n LEU 1231Cb 0.48 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 1wdg n LEU 1231CO 0.09 0.73 0.51 0.71 -1.33 0.00 0.00 177.39 178.10 1wdg h THR 1232N 3.48 0.01 0.02 -5.08 1.35 -1.99 0.65 112.91 111.36 1wdg h THR 1232Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.89 1wdg h THR 1232Cb 1.55 0.01 -0.05 0.00 -1.73 0.00 0.00 68.15 67.93 1wdg h THR 1232CO 0.29 0.00 -0.37 0.22 -0.25 0.00 0.00 175.52 175.41 1wdg h TYR 1233N -0.31 -1.03 -0.15 4.73 3.20 -1.99 -1.11 116.97 120.31 1wdg h TYR 1233Ca 0.11 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1wdg h TYR 1233Cb 0.56 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1wdg h TYR 1233CO -0.77 -0.46 0.09 0.93 -1.64 0.00 0.00 178.16 176.30 1wdg h GLU 1234N -0.54 0.20 -0.79 1.82 3.07 -1.84 -1.11 114.58 115.39 1wdg h GLU 1234Ca 0.05 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1wdg h GLU 1234Cb 0.61 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.44 1wdg h GLU 1234CO -0.28 0.19 0.53 0.52 -1.40 0.00 0.00 179.01 178.57 1wdg h MET 1235N 0.16 1.04 -0.34 2.33 2.86 -0.81 -1.33 114.93 118.84 1wdg h MET 1235Ca 0.05 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1wdg h MET 1235Cb 0.04 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 1wdg h MET 1235CO -0.01 0.69 -0.11 -0.91 1.06 0.00 0.00 176.91 177.63 1wdg h ASN 1236N 1.07 0.57 -0.57 1.22 2.35 -0.99 -0.99 115.58 118.24 1wdg h ASN 1236Ca 0.29 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 1wdg h ASN 1236Cb -0.12 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1wdg h ASN 1236CO -0.06 0.72 0.05 -0.09 -1.65 0.00 0.00 177.43 176.40 1wdg h ARG 1237N 0.54 0.97 -0.69 0.81 9.65 -0.54 0.08 114.38 125.19 1wdg h ARG 1237Ca 0.10 -0.28 -0.06 0.00 -1.10 0.00 0.00 59.98 58.63 1wdg h ARG 1237Cb 0.52 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 1wdg h ARG 1237CO 0.03 0.94 0.18 0.82 2.80 0.00 0.00 179.97 184.74 1wdg h ILE 1238N 0.86 1.26 -0.54 1.20 2.04 -0.94 -0.24 117.51 121.15 1wdg h ILE 1238Ca 0.17 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 1wdg h ILE 1238Cb 0.47 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1wdg h ILE 1238CO 0.02 0.36 0.10 1.56 0.00 0.00 0.00 178.15 180.19 1wdg h GLN 1239N 1.04 0.84 -0.49 2.37 4.20 -0.73 -1.43 115.11 120.90 1wdg h GLN 1239Ca 0.22 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1wdg h GLN 1239Cb 0.35 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1wdg h GLN 1239CO 0.00 0.77 -0.17 -0.44 -0.67 0.00 0.00 178.83 178.32 1wdg h ASP 1240N 0.80 0.99 -0.54 1.46 3.32 -0.41 -2.45 116.42 119.59 1wdg h ASP 1240Ca 0.17 -0.35 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 1wdg h ASP 1240Cb 0.34 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1wdg h ASP 1240CO 0.00 1.14 0.03 0.00 -1.72 0.00 0.00 179.24 178.69 1wdg h ALA 1241N 0.94 0.72 -0.78 3.45 0.00 -0.77 -0.18 119.26 122.64 1wdg h ALA 1241Ca 0.12 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1wdg h ALA 1241Cb 0.74 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1wdg h ALA 1241CO 0.06 0.52 0.50 0.82 0.00 0.00 0.00 179.25 181.14 1wdg h ILE 1242N 0.81 1.12 0.07 0.00 2.04 -1.17 0.82 117.51 121.19 1wdg h ILE 1242Ca 0.16 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1wdg h ILE 1242Cb 0.49 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1wdg h ILE 1242CO 0.02 0.18 -0.03 0.50 0.00 0.00 0.00 178.15 178.82 1wdg h LYS 1243N 0.97 -0.09 -1.00 2.37 3.64 -1.09 -0.63 116.57 120.74 1wdg h LYS 1243Ca 0.31 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.77 1wdg h LYS 1243Cb 0.01 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 1wdg h LYS 1243CO -0.11 -0.05 0.65 -0.22 -2.27 0.00 0.00 179.45 177.44 1wdg h LYS 1244N -0.09 1.11 -0.11 1.90 3.64 -0.26 -1.75 116.57 121.02 1wdg h LYS 1244Ca -0.01 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1wdg h LYS 1244Cb 0.07 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1wdg h LYS 1244CO 0.02 0.74 0.04 -0.07 -2.27 0.00 0.00 179.45 177.91 1wdg h LEU 1245N 1.15 0.15 -1.70 5.20 3.38 -0.37 -1.67 115.31 121.45 1wdg h LEU 1245Ca 0.44 -0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.41 1wdg h LEU 1245Cb 0.21 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1wdg h LEU 1245CO -0.18 0.26 0.47 -1.13 0.09 0.00 0.00 178.44 177.95 1wdg h ASN 1246N 0.02 0.28 0.33 -0.43 -0.73 -0.51 0.51 115.58 115.04 1wdg h ASN 1246Ca 0.04 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1wdg h ASN 1246Cb 0.16 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.71 1wdg h ASN 1246CO -0.00 0.15 0.00 -0.62 -0.37 0.00 0.00 177.43 176.58 1wdg n GLU 1247N -4.45 0.65 0.00 6.67 1.02 -0.66 -3.67 120.64 120.20 1wdg n GLU 1247Ca 0.13 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.38 1wdg n GLU 1247Cb 0.55 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.52 1wdg n GLU 1247CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wdg n SER 1248N -1.17 0.88 -4.62 1.62 7.64 0.18 -4.98 113.62 113.16 1wdg n SER 1248Ca 0.18 -0.75 -0.41 0.00 1.01 0.00 0.00 58.87 58.90 1wdg n SER 1248Cb 0.18 0.65 0.01 0.00 -1.01 0.00 0.00 64.21 64.04 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 -1.37 1.27 -3.69 1.43 4.02 -1.23 -4.97 117.16 112.61 1wdg n TYR 1249Ca 0.05 0.55 -0.36 0.00 -0.01 0.00 0.00 57.90 58.12 1wdg n TYR 1249Cb 0.34 -2.24 -0.07 0.00 -0.02 0.00 0.00 39.34 37.35 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 -1.28 5.36 -0.63 -0.72 1.01 -1.26 -5.02 121.20 118.65 1wdg s ILE 1250Ca 0.63 0.39 -0.25 0.00 0.00 0.00 0.00 60.65 61.42 1wdg s ILE 1250Cb -0.55 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.44 1wdg s ILE 1250CO 0.56 0.51 1.09 0.21 0.00 0.00 0.00 174.94 177.31 1wdg s ASN 1251N -0.29 6.27 0.32 3.58 3.84 -1.26 -4.92 114.94 122.49 1wdg s ASN 1251Ca 0.15 -0.44 0.07 0.00 0.21 0.00 0.00 52.86 52.85 1wdg s ASN 1251Cb -0.13 -2.49 0.75 0.00 -0.55 0.00 0.00 41.25 38.83 1wdg s ASN 1251CO 0.04 -1.49 1.81 -0.07 -2.79 0.00 0.00 177.10 174.59 1wdg h LEU 1252N 11.80 0.76 0.00 3.21 3.38 -1.99 0.34 115.31 132.82 1wdg h LEU 1252Ca -0.27 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1wdg h LEU 1252Cb 1.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1wdg h LEU 1252CO 1.18 0.32 0.00 2.29 0.09 0.00 0.00 178.44 182.32 1wdg n LYS 1253N -4.68 0.10 0.00 1.13 2.85 -1.26 -5.07 118.16 111.23 1wdg n LYS 1253Ca 0.21 0.20 0.14 0.00 -1.05 0.00 0.00 58.31 57.82 1wdg n LYS 1253Cb 0.53 -1.50 0.51 0.00 -0.65 0.00 0.00 35.03 33.92 1wdg n LYS 1253CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74