#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9j n ALA 958 N 0.00 -1.37 -0.24 4.61 0.00 -1.26 -4.83 120.51 117.42 2k9j n ALA 958 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2k9j n ALA 958 Cb 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 19.45 19.04 2k9j n ALA 958 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k9j h LEU 959 N 4.16 0.90 -8.49 0.00 3.38 -2.11 -3.40 115.31 109.74 2k9j h LEU 959 Ca 0.00 -0.16 -0.65 0.00 0.09 0.00 0.00 57.88 57.16 2k9j h LEU 959 Cb 0.37 -0.23 -0.26 0.00 0.09 0.00 0.00 40.66 40.63 2k9j h LEU 959 CO 0.00 0.81 -0.71 -0.70 0.09 0.00 0.00 178.44 177.93 2k9j s GLU 960 N -5.60 3.44 0.15 1.13 2.12 -1.26 -5.00 118.70 113.68 2k9j s GLU 960 Ca -0.13 -0.60 -0.12 0.00 0.36 0.00 0.00 54.97 54.48 2k9j s GLU 960 Cb 0.14 -3.00 0.03 0.00 0.26 0.00 0.00 34.13 31.55 2k9j s GLU 960 CO 0.81 -0.12 1.61 1.49 -0.54 0.00 0.00 175.26 178.51 2k9j h GLU 961 N 7.86 0.90 -3.30 4.30 4.81 -1.96 -3.45 114.58 123.73 2k9j h GLU 961 Ca -0.39 -0.28 -0.13 0.00 -0.13 0.00 0.00 59.36 58.43 2k9j h GLU 961 Cb 1.17 -0.08 -0.20 0.00 0.63 0.00 0.00 28.75 30.26 2k9j h GLU 961 CO 0.60 0.92 -0.39 -0.98 -0.73 0.00 0.00 179.01 178.43 2k9j s ARG 962 N -5.04 0.57 0.42 1.92 1.70 -1.26 -5.15 118.95 112.11 2k9j s ARG 962 Ca -0.12 -0.31 -0.25 0.00 -0.47 0.00 0.00 55.73 54.58 2k9j s ARG 962 Cb 0.12 0.25 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 2k9j s ARG 962 CO 0.83 -0.15 1.17 0.00 -1.08 0.00 0.00 175.30 176.07 2k9j s ALA 963 N -1.38 3.11 0.08 7.88 0.00 -1.26 -5.05 121.76 125.14 2k9j s ALA 963 Ca -0.14 0.97 0.01 0.00 0.00 0.00 0.00 51.96 52.81 2k9j s ALA 963 Cb -0.06 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2k9j s ALA 963 CO 0.03 -0.58 -0.06 0.96 0.00 0.00 0.00 175.76 176.11 2k9j s ILE 964 N -1.44 0.59 -0.74 0.00 -4.36 -1.26 -5.03 121.20 108.97 2k9j s ILE 964 Ca 0.59 -1.70 0.17 0.00 -0.26 0.00 0.00 60.65 59.45 2k9j s ILE 964 Cb -0.30 -1.38 0.16 0.00 1.25 0.00 0.00 42.46 42.19 2k9j s ILE 964 CO 0.38 -0.76 1.51 -0.81 0.24 0.00 0.00 174.94 175.50 2k9j n PRO 965 N 0.37 0.08 -0.26 0.37 -0.04 -1.26 -2.99 135.00 131.27 2k9j n PRO 965 Ca -0.15 0.38 -0.06 0.00 -0.04 0.00 0.00 63.50 63.63 2k9j n PRO 965 Cb 0.59 -1.68 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 2k9j n PRO 965 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2k9j h ILE 966 N 0.00 1.23 -0.82 0.52 2.04 -2.01 -2.72 117.51 115.76 2k9j h ILE 966 Ca 0.00 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2k9j h ILE 966 Cb 0.23 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 2k9j h ILE 966 CO 0.00 0.27 0.49 -0.50 0.00 0.00 0.00 178.15 178.40 2k9j h TRP 967 N 1.01 1.08 -0.26 1.37 4.06 -1.98 -2.30 115.95 118.93 2k9j h TRP 967 Ca 0.25 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.17 2k9j h TRP 967 Cb 0.09 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 27.89 2k9j h TRP 967 CO 0.00 0.72 0.05 -1.49 -3.56 0.00 0.00 178.44 174.16 2k9j h TRP 968 N 1.13 0.45 -0.52 0.49 4.06 -1.68 -1.61 115.95 118.26 2k9j h TRP 968 Ca 0.29 -0.06 -0.08 0.00 2.06 0.00 0.00 58.89 61.10 2k9j h TRP 968 Cb -0.04 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 27.98 2k9j h TRP 968 CO 0.00 0.53 0.01 -0.24 -3.56 0.00 0.00 178.44 175.18 2k9j h VAL 969 N 0.23 1.25 -0.69 1.49 3.04 -1.38 -2.27 116.25 117.92 2k9j h VAL 969 Ca 0.08 -1.03 -0.04 0.00 -1.01 0.00 0.00 66.70 64.70 2k9j h VAL 969 Cb 0.32 0.84 -0.03 0.00 -2.01 0.00 0.00 31.29 30.41 2k9j h VAL 969 CO 0.00 0.37 0.29 -0.07 -1.01 0.00 0.00 177.57 177.15 2k9j h LEU 970 N 0.80 0.94 -0.44 3.16 3.38 -1.32 -1.55 115.31 120.28 2k9j h LEU 970 Ca 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k9j h LEU 970 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2k9j h LEU 970 CO 0.02 0.84 0.22 0.58 0.09 0.00 0.00 178.44 180.19 2k9j h VAL 971 N 0.97 1.17 -0.82 1.22 2.07 -1.00 -1.50 116.25 118.36 2k9j h VAL 971 Ca 0.23 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2k9j h VAL 971 Cb 0.18 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2k9j h VAL 971 CO -0.02 0.19 0.42 1.23 0.02 0.00 0.00 177.57 179.41 2k9j h GLY 972 N 0.57 1.24 0.96 2.17 0.00 -1.16 -1.08 103.07 105.77 2k9j h GLY 972 Ca 0.15 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 2k9j h GLY 972 CO -0.02 0.56 0.18 -2.08 0.00 0.00 0.00 176.54 175.18 2k9j h VAL 973 N 1.16 1.21 -0.67 4.60 2.07 -0.94 -1.34 116.25 122.33 2k9j h VAL 973 Ca 0.29 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2k9j h VAL 973 Cb 0.08 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2k9j h VAL 973 CO -0.04 0.24 0.32 0.25 0.02 0.00 0.00 177.57 178.35 2k9j h LEU 974 N 0.59 0.88 -0.89 2.57 5.85 -0.88 -2.12 115.31 121.31 2k9j h LEU 974 Ca 0.15 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2k9j h LEU 974 Cb 0.20 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2k9j h LEU 974 CO -0.01 0.77 0.44 1.23 -0.34 0.00 0.00 178.44 180.53 2k9j h GLY 975 N 0.93 1.32 1.04 3.75 0.00 -0.92 -1.54 103.07 107.65 2k9j h GLY 975 Ca 0.23 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2k9j h GLY 975 CO -0.03 0.60 0.32 -1.33 0.00 0.00 0.00 176.54 176.11 2k9j h GLY 976 N 1.23 1.25 1.01 4.60 0.00 -0.86 -1.34 103.07 108.96 2k9j h GLY 976 Ca 0.30 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2k9j h GLY 976 CO -0.04 0.63 0.29 -2.00 0.00 0.00 0.00 176.54 175.42 2k9j h LEU 977 N 1.13 0.90 -0.70 3.11 5.85 -0.90 -2.00 115.31 122.69 2k9j h LEU 977 Ca 0.26 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2k9j h LEU 977 Cb 0.20 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2k9j h LEU 977 CO -0.02 0.80 0.36 0.25 -0.34 0.00 0.00 178.44 179.49 2k9j h LEU 978 N 0.93 0.90 -0.55 2.25 5.85 -0.85 -0.68 115.31 123.17 2k9j h LEU 978 Ca 0.22 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2k9j h LEU 978 Cb 0.17 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2k9j h LEU 978 CO -0.02 0.76 0.31 0.25 -0.34 0.00 0.00 178.44 179.40 2k9j h LEU 979 N 0.97 0.67 -0.66 2.25 7.12 -0.90 -0.91 115.31 123.85 2k9j h LEU 979 Ca 0.24 -0.08 -0.04 0.00 0.13 0.00 0.00 57.88 58.14 2k9j h LEU 979 Cb 0.09 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.02 2k9j h LEU 979 CO -0.03 0.55 0.27 0.25 -0.13 0.00 0.00 178.44 179.35 2k9j h LEU 980 N 0.73 0.91 -0.53 2.25 5.85 -1.03 -2.72 115.31 120.78 2k9j h LEU 980 Ca 0.19 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2k9j h LEU 980 Cb 0.02 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2k9j h LEU 980 CO -0.03 0.83 0.29 0.74 -0.34 0.00 0.00 178.44 179.92 2k9j h THR 981 N 0.93 1.18 -0.46 1.05 2.02 -0.69 -0.90 112.91 116.05 2k9j h THR 981 Ca 0.22 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2k9j h THR 981 Cb 0.20 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 2k9j h THR 981 CO -0.02 0.19 0.21 0.40 0.37 0.00 0.00 175.52 176.67 2k9j h ILE 982 N 0.71 1.19 -0.28 3.11 2.04 -1.00 -0.75 117.51 122.53 2k9j h ILE 982 Ca 0.19 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 2k9j h ILE 982 Cb 0.05 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2k9j h ILE 982 CO -0.03 0.21 -0.19 -0.07 0.00 0.00 0.00 178.15 178.07 2k9j h LEU 983 N 0.59 0.50 -0.32 1.44 4.07 -1.37 -1.88 115.31 118.34 2k9j h LEU 983 Ca 0.16 -0.15 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 2k9j h LEU 983 Cb 0.14 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2k9j h LEU 983 CO -0.02 0.70 -0.04 0.58 -1.08 0.00 0.00 178.44 178.58 2k9j h VAL 984 N 0.46 1.27 -0.83 1.22 2.07 -0.73 -1.54 116.25 118.16 2k9j h VAL 984 Ca 0.08 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 2k9j h VAL 984 Cb 0.59 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2k9j h VAL 984 CO 0.04 0.34 0.37 -0.07 0.02 0.00 0.00 177.57 178.27 2k9j h LEU 985 N 0.38 1.11 -0.79 2.57 3.38 -0.99 -1.34 115.31 119.62 2k9j h LEU 985 Ca 0.09 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2k9j h LEU 985 Cb 0.51 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2k9j h LEU 985 CO 0.02 0.96 0.22 0.00 0.09 0.00 0.00 178.44 179.73 2k9j h ALA 986 N 1.20 1.02 -0.69 1.53 0.00 -1.21 -1.15 119.26 119.95 2k9j h ALA 986 Ca 0.28 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2k9j h ALA 986 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2k9j h ALA 986 CO -0.03 0.66 0.22 0.52 0.00 0.00 0.00 179.25 180.61 2k9j h MET 987 N 1.08 1.08 -0.58 0.00 2.86 -0.81 -0.67 114.93 117.89 2k9j h MET 987 Ca 0.23 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k9j h MET 987 Cb 0.31 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2k9j h MET 987 CO -0.01 0.93 0.34 2.35 1.06 0.00 0.00 176.91 181.59 2k9j h TRP 988 N 1.02 0.77 0.00 -0.22 2.91 -0.87 -0.46 115.95 119.09 2k9j h TRP 988 Ca 0.22 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.24 2k9j h TRP 988 Cb 0.30 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.70 2k9j h TRP 988 CO 0.02 0.53 0.00 1.63 -1.03 0.00 0.00 178.44 179.59 2k9j n LYS 989 N -4.63 0.08 0.06 2.65 4.76 -0.47 -2.07 118.16 118.53 2k9j n LYS 989 Ca 0.04 0.26 0.12 0.00 -2.87 0.00 0.00 58.31 55.85 2k9j n LYS 989 Cb 0.06 -1.63 0.10 0.00 -1.84 0.00 0.00 35.03 31.72 2k9j n LYS 989 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2k9j n VAL 990 N -1.77 0.35 -0.75 -0.18 0.31 -0.23 -4.94 118.33 111.12 2k9j n VAL 990 Ca 0.04 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2k9j n VAL 990 Cb 0.23 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 2k9j n VAL 990 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k9j n GLY 991 N 1.32 0.60 0.29 2.92 0.00 -0.88 -4.94 105.19 104.50 2k9j n GLY 991 Ca 0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 0.97 -0.01 1.61 3.57 -1.70 -1.61 116.94 119.77 2k9j h PHE 992 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2k9j h PHE 992 Cb 0.00 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.43 2k9j h PHE 992 CO 0.00 0.67 -0.06 1.19 -2.23 0.00 0.00 178.31 177.88 2k9j n PHE 993 N -4.50 0.00 -4.78 0.41 3.72 -1.26 -4.78 117.46 106.26 2k9j n PHE 993 Ca 0.06 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.13 2k9j n PHE 993 Cb 0.08 -0.05 -0.14 0.00 -0.94 0.00 0.00 39.48 38.43 2k9j n PHE 993 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2k9j s LYS 994 N -2.15 3.32 0.07 -1.08 2.20 -0.61 -5.12 119.74 116.38 2k9j s LYS 994 Ca 0.36 -0.68 0.03 0.00 -0.36 0.00 0.00 55.97 55.32 2k9j s LYS 994 Cb 0.21 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 2k9j s LYS 994 CO 0.39 0.25 -0.10 1.03 -0.36 0.00 0.00 175.35 176.56 2k9j s ARG 995 N 0.26 0.74 -0.44 4.03 0.52 -1.26 -4.81 118.95 117.99 2k9j s ARG 995 Ca -0.09 -1.01 -0.26 0.00 -0.52 0.00 0.00 55.73 53.85 2k9j s ARG 995 Cb -0.15 -0.49 0.02 0.00 0.52 0.00 0.00 34.95 34.85 2k9j s ARG 995 CO 0.05 0.08 0.94 1.21 0.02 0.00 0.00 175.30 177.61 2k9j s ASN 996 N -2.08 6.56 0.13 0.23 3.84 -1.26 -5.00 114.94 117.36 2k9j s ASN 996 Ca -0.00 0.28 0.03 0.00 0.21 0.00 0.00 52.86 53.38 2k9j s ASN 996 Cb -0.06 -2.46 -0.04 0.00 -0.55 0.00 0.00 41.25 38.14 2k9j s ASN 996 CO 0.00 -1.01 -0.08 0.00 -2.79 0.00 0.00 177.10 173.22 2k9j s ARG 997 N 3.73 0.99 0.00 0.43 1.70 -1.26 -5.34 118.95 119.20 2k9j s ARG 997 Ca 0.38 -1.42 0.13 0.00 -0.47 0.00 0.00 55.73 54.35 2k9j s ARG 997 Cb -0.10 -0.44 0.76 0.00 -0.57 0.00 0.00 34.95 34.60 2k9j s ARG 997 CO 0.25 0.02 1.19 -0.35 -1.08 0.00 0.00 175.30 175.32