#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9j s ALA 958 N 0.00 3.20 0.20 4.61 0.00 -1.26 -4.93 121.76 123.57 2k9j s ALA 958 Ca 0.00 1.14 -0.10 0.00 0.00 0.00 0.00 51.96 53.00 2k9j s ALA 958 Cb 0.00 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.79 2k9j s ALA 958 CO 0.00 -0.74 1.77 -0.07 0.00 0.00 0.00 175.76 176.72 2k9j h LEU 959 N 2.60 0.95 -9.96 0.00 4.07 -2.10 -3.43 115.31 107.45 2k9j h LEU 959 Ca -0.49 -0.15 -0.53 0.00 0.08 0.00 0.00 57.88 56.78 2k9j h LEU 959 Cb 1.24 -0.25 0.10 0.00 1.08 0.00 0.00 40.66 42.84 2k9j h LEU 959 CO 0.62 0.84 0.68 -1.61 -1.08 0.00 0.00 178.44 177.89 2k9j s GLU 960 N -5.63 3.91 -0.09 1.13 0.41 -1.26 -5.01 118.70 112.15 2k9j s GLU 960 Ca -0.13 2.34 0.01 0.00 -0.41 0.00 0.00 54.97 56.78 2k9j s GLU 960 Cb 0.14 -2.78 -0.02 0.00 -1.78 0.00 0.00 34.13 29.70 2k9j s GLU 960 CO 0.81 -0.61 -0.12 -1.21 -0.49 0.00 0.00 175.26 173.65 2k9j s GLU 961 N -2.27 2.93 0.22 1.61 2.02 -1.26 -5.01 118.70 116.94 2k9j s GLU 961 Ca 0.57 -0.65 -0.07 0.00 0.02 0.00 0.00 54.97 54.84 2k9j s GLU 961 Cb -0.42 -2.55 0.17 0.00 0.10 0.00 0.00 34.13 31.44 2k9j s GLU 961 CO 0.55 0.47 1.74 0.00 0.02 0.00 0.00 175.26 178.04 2k9j h ARG 962 N 5.87 1.10 -4.84 1.61 3.08 -1.97 -3.43 114.38 115.79 2k9j h ARG 962 Ca -0.39 -0.25 -0.37 0.00 0.07 0.00 0.00 59.98 59.04 2k9j h ARG 962 Cb 1.18 -0.15 -0.25 0.00 0.08 0.00 0.00 29.97 30.82 2k9j h ARG 962 CO 0.53 0.96 -0.77 0.00 -1.07 0.00 0.00 179.97 179.62 2k9j s ALA 963 N -5.32 0.81 -0.10 0.04 0.00 -1.26 -5.05 121.76 110.88 2k9j s ALA 963 Ca -0.12 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2k9j s ALA 963 Cb 0.15 -0.12 -0.07 0.00 0.00 0.00 0.00 23.12 23.08 2k9j s ALA 963 CO 0.84 0.14 -0.08 -0.89 0.00 0.00 0.00 175.76 175.77 2k9j n ILE 964 N 2.19 0.59 0.10 0.00 5.41 -1.26 -4.66 119.36 121.74 2k9j n ILE 964 Ca -0.17 -0.25 0.15 0.00 1.00 0.00 0.00 62.75 63.48 2k9j n ILE 964 Cb 0.56 -0.86 0.66 0.00 -0.71 0.00 0.00 39.64 39.29 2k9j n ILE 964 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2k9j h PRO 965 N 0.00 0.03 -1.00 0.38 0.11 -2.01 -2.43 132.00 127.09 2k9j h PRO 965 Ca -0.23 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.90 2k9j h PRO 965 Cb 1.38 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.43 2k9j h PRO 965 CO -0.03 0.02 0.66 -0.84 -0.21 0.00 0.00 178.00 177.60 2k9j h ILE 966 N 0.03 1.21 -0.85 4.15 3.07 -2.01 -1.81 117.51 121.29 2k9j h ILE 966 Ca 0.15 -0.45 0.05 0.00 1.55 0.00 0.00 64.86 66.17 2k9j h ILE 966 Cb 0.57 -0.20 -0.05 0.00 -0.27 0.00 0.00 36.82 36.86 2k9j h ILE 966 CO -0.01 0.24 0.56 -0.50 -1.05 0.00 0.00 178.15 177.39 2k9j h TRP 967 N 1.30 0.99 -0.73 0.16 4.06 -1.74 -0.85 115.95 119.15 2k9j h TRP 967 Ca 0.38 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.33 2k9j h TRP 967 Cb -0.07 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 27.73 2k9j h TRP 967 CO -0.00 0.55 0.35 -1.49 -3.56 0.00 0.00 178.44 174.29 2k9j h TRP 968 N 1.00 1.03 -0.45 0.49 4.06 -1.45 -1.61 115.95 119.01 2k9j h TRP 968 Ca 0.35 -0.04 -0.02 0.00 2.06 0.00 0.00 58.89 61.25 2k9j h TRP 968 Cb 0.13 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 27.95 2k9j h TRP 968 CO -0.00 0.74 0.21 0.28 -3.56 0.00 0.00 178.44 176.11 2k9j h VAL 969 N 1.03 1.19 -0.81 1.49 2.07 -0.95 -0.75 116.25 119.52 2k9j h VAL 969 Ca 0.25 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2k9j h VAL 969 Cb 0.10 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2k9j h VAL 969 CO -0.03 0.21 0.39 -0.07 0.02 0.00 0.00 177.57 178.09 2k9j h LEU 970 N 0.59 1.06 -0.44 2.57 4.07 -1.03 0.43 115.31 122.55 2k9j h LEU 970 Ca 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 2k9j h LEU 970 Cb 0.14 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 2k9j h LEU 970 CO -0.02 0.89 0.24 0.58 -1.08 0.00 0.00 178.44 179.05 2k9j h VAL 971 N 1.15 1.16 -0.48 1.22 2.07 -0.94 -1.01 116.25 119.41 2k9j h VAL 971 Ca 0.28 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2k9j h VAL 971 Cb 0.11 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2k9j h VAL 971 CO -0.04 0.17 0.09 1.23 0.02 0.00 0.00 177.57 179.04 2k9j h GLY 972 N 0.57 0.79 0.97 2.17 0.00 -0.71 -1.96 103.07 104.90 2k9j h GLY 972 Ca 0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2k9j h GLY 972 CO -0.02 0.43 0.22 -2.08 0.00 0.00 0.00 176.54 175.08 2k9j h VAL 973 N 0.71 1.19 -0.71 4.60 2.07 -0.30 -0.19 116.25 123.62 2k9j h VAL 973 Ca 0.15 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2k9j h VAL 973 Cb 0.31 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2k9j h VAL 973 CO 0.00 0.21 0.34 -0.07 0.02 0.00 0.00 177.57 178.08 2k9j h LEU 974 N 0.62 0.93 -1.03 2.57 3.38 -0.84 -1.72 115.31 119.22 2k9j h LEU 974 Ca 0.16 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2k9j h LEU 974 Cb 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2k9j h LEU 974 CO -0.02 0.80 0.19 1.23 0.09 0.00 0.00 178.44 180.74 2k9j h GLY 975 N 0.99 0.96 1.26 0.83 0.00 -1.00 -2.18 103.07 103.93 2k9j h GLY 975 Ca 0.24 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 2k9j h GLY 975 CO -0.03 0.49 0.23 -1.33 0.00 0.00 0.00 176.54 175.90 2k9j h GLY 976 N 0.99 1.01 1.01 4.60 0.00 -0.36 -1.44 103.07 108.88 2k9j h GLY 976 Ca 0.20 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2k9j h GLY 976 CO -0.01 0.51 0.32 -2.00 0.00 0.00 0.00 176.54 175.36 2k9j h LEU 977 N 0.92 0.92 -0.84 3.11 5.85 -0.73 -2.12 115.31 122.42 2k9j h LEU 977 Ca 0.21 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2k9j h LEU 977 Cb 0.21 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2k9j h LEU 977 CO -0.02 0.80 0.39 -0.07 -0.34 0.00 0.00 178.44 179.21 2k9j h LEU 978 N 0.97 1.11 -0.55 2.25 3.38 -0.92 -1.39 115.31 120.16 2k9j h LEU 978 Ca 0.24 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2k9j h LEU 978 Cb 0.14 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2k9j h LEU 978 CO -0.03 0.94 0.32 -0.07 0.09 0.00 0.00 178.44 179.69 2k9j h LEU 979 N 1.20 0.67 -0.57 1.67 3.38 -0.74 0.77 115.31 121.69 2k9j h LEU 979 Ca 0.29 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2k9j h LEU 979 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2k9j h LEU 979 CO -0.03 0.55 0.18 0.25 0.09 0.00 0.00 178.44 179.47 2k9j h LEU 980 N 0.74 0.83 -0.41 1.67 5.85 -1.10 -2.08 115.31 120.81 2k9j h LEU 980 Ca 0.20 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2k9j h LEU 980 Cb 0.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2k9j h LEU 980 CO -0.03 0.82 0.19 0.74 -0.34 0.00 0.00 178.44 179.81 2k9j h THR 981 N 0.80 1.18 -0.46 1.05 2.02 -0.80 -0.79 112.91 115.91 2k9j h THR 981 Ca 0.18 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 2k9j h THR 981 Cb 0.28 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2k9j h THR 981 CO -0.01 0.20 0.19 0.40 0.37 0.00 0.00 175.52 176.67 2k9j h ILE 982 N 0.52 1.21 -0.59 3.11 2.04 -0.72 0.20 117.51 123.27 2k9j h ILE 982 Ca 0.14 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 2k9j h ILE 982 Cb 0.13 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2k9j h ILE 982 CO -0.02 0.24 0.23 -0.07 0.00 0.00 0.00 178.15 178.53 2k9j h LEU 983 N 0.61 0.82 -0.45 1.44 3.38 -1.26 -1.48 115.31 118.37 2k9j h LEU 983 Ca 0.15 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2k9j h LEU 983 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2k9j h LEU 983 CO -0.01 0.78 0.13 0.58 0.09 0.00 0.00 178.44 180.01 2k9j h VAL 984 N 0.82 1.23 -0.67 1.22 2.07 -0.87 -2.65 116.25 117.40 2k9j h VAL 984 Ca 0.20 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2k9j h VAL 984 Cb 0.22 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2k9j h VAL 984 CO -0.01 0.27 0.39 0.25 0.02 0.00 0.00 177.57 178.49 2k9j h LEU 985 N 0.59 0.82 -0.58 2.57 5.85 -0.36 -0.78 115.31 123.42 2k9j h LEU 985 Ca 0.14 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2k9j h LEU 985 Cb 0.28 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2k9j h LEU 985 CO -0.00 0.66 0.28 0.00 -0.34 0.00 0.00 178.44 179.04 2k9j h ALA 986 N 1.20 0.75 -0.54 1.25 0.00 -1.15 0.81 119.26 121.57 2k9j h ALA 986 Ca 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2k9j h ALA 986 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2k9j h ALA 986 CO -0.04 0.31 0.13 0.52 0.00 0.00 0.00 179.25 180.17 2k9j h MET 987 N 0.79 0.87 -0.69 0.00 2.86 -1.21 -1.81 114.93 115.74 2k9j h MET 987 Ca 0.20 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2k9j h MET 987 Cb 0.12 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2k9j h MET 987 CO -0.02 0.82 0.24 2.35 1.06 0.00 0.00 176.91 181.36 2k9j h TRP 988 N 0.76 1.08 0.00 -0.22 7.01 -0.83 -1.70 115.95 122.06 2k9j h TRP 988 Ca 0.17 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 61.07 2k9j h TRP 988 Cb 0.35 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 2k9j h TRP 988 CO 0.02 0.85 0.00 1.63 -2.79 0.00 0.00 178.44 178.16 2k9j n LYS 989 N -4.34 0.12 0.10 2.65 4.76 0.25 -2.17 118.16 119.53 2k9j n LYS 989 Ca 0.05 0.27 0.12 0.00 -2.87 0.00 0.00 58.31 55.87 2k9j n LYS 989 Cb 0.20 -1.69 0.03 0.00 -1.84 0.00 0.00 35.03 31.73 2k9j n LYS 989 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2k9j h VAL 990 N 0.00 0.00 0.00 -0.18 2.07 -0.44 -3.48 116.25 114.23 2k9j h VAL 990 Ca 0.00 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2k9j h VAL 990 Cb 0.42 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2k9j h VAL 990 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2k9j n GLY 991 N 1.20 0.53 0.28 2.17 0.00 -0.92 -4.92 105.19 103.54 2k9j n GLY 991 Ca 0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 2k9j n GLY 991 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2k9j h PHE 992 N 0.00 0.95 -0.01 1.61 3.04 -1.75 -1.66 116.94 119.12 2k9j h PHE 992 Ca 0.00 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.90 2k9j h PHE 992 Cb 0.00 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.22 2k9j h PHE 992 CO 0.00 0.72 -0.10 1.19 -2.02 0.00 0.00 178.31 178.10 2k9j n PHE 993 N -4.47 0.00 -3.15 0.41 3.72 -1.26 -4.78 117.46 107.94 2k9j n PHE 993 Ca 0.05 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.05 2k9j n PHE 993 Cb 0.13 -0.12 -0.06 0.00 -0.94 0.00 0.00 39.48 38.50 2k9j n PHE 993 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2k9j s LYS 994 N -2.33 4.23 0.03 -1.08 1.02 -0.63 -5.04 119.74 115.94 2k9j s LYS 994 Ca 0.32 0.58 -0.01 0.00 0.02 0.00 0.00 55.97 56.88 2k9j s LYS 994 Cb 0.20 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 2k9j s LYS 994 CO 0.44 -0.18 -0.01 1.03 -0.92 0.00 0.00 175.35 175.72 2k9j s ARG 995 N 1.71 0.44 -0.42 1.68 0.52 -1.26 -4.96 118.95 116.66 2k9j s ARG 995 Ca 0.28 -0.80 -0.26 0.00 -0.52 0.00 0.00 55.73 54.44 2k9j s ARG 995 Cb -0.16 0.16 0.02 0.00 0.52 0.00 0.00 34.95 35.49 2k9j s ARG 995 CO 0.11 -0.08 0.94 -0.80 0.02 0.00 0.00 175.30 175.48 2k9j s ASN 996 N -1.97 6.59 0.25 0.23 0.01 -1.26 -5.02 114.94 113.78 2k9j s ASN 996 Ca -0.08 0.37 0.06 0.00 -0.71 0.00 0.00 52.86 52.50 2k9j s ASN 996 Cb -0.03 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 2k9j s ASN 996 CO -0.04 -0.97 0.33 0.00 -1.51 0.00 0.00 177.10 174.91 2k9j s ARG 997 N 3.66 3.27 0.00 -0.60 1.70 -1.26 -5.34 118.95 120.39 2k9j s ARG 997 Ca 0.38 -0.86 0.13 0.00 -0.47 0.00 0.00 55.73 54.91 2k9j s ARG 997 Cb -0.11 -2.80 0.81 0.00 -0.57 0.00 0.00 34.95 32.28 2k9j s ARG 997 CO 0.23 0.38 1.23 -0.35 -1.08 0.00 0.00 175.30 175.71