#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 3.21 -0.14 4.61 0.00 -1.26 -5.02 121.76 123.16 2k9j s ALA 958 Ca 0.00 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 2k9j s ALA 958 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2k9j s ALA 958 CO 0.00 -0.73 -0.06 -0.51 0.00 0.00 0.00 175.76 174.46 2k9j s LEU 959 N -2.46 3.12 -0.09 0.00 1.43 -1.26 -5.11 118.68 114.32 2k9j s LEU 959 Ca 0.57 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 2k9j s LEU 959 Cb -0.36 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 2k9j s LEU 959 CO 0.45 0.18 -0.22 -1.61 0.23 0.00 0.00 176.35 175.39 2k9j s GLU 960 N 0.26 2.91 0.32 1.70 2.02 -1.26 -5.10 118.70 119.54 2k9j s GLU 960 Ca -0.04 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 53.81 2k9j s GLU 960 Cb -0.14 -2.32 -0.10 0.00 0.10 0.00 0.00 34.13 31.66 2k9j s GLU 960 CO 0.03 0.28 1.40 -2.00 0.02 0.00 0.00 175.26 174.99 2k9j s GLU 961 N 0.10 4.27 0.05 1.61 2.12 -1.26 -5.02 118.70 120.57 2k9j s GLU 961 Ca -0.10 2.34 0.05 0.00 0.36 0.00 0.00 54.97 57.61 2k9j s GLU 961 Cb -0.16 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 2k9j s GLU 961 CO 0.06 -0.35 -0.15 1.03 -0.54 0.00 0.00 175.26 175.31 2k9j s ARG 962 N -1.43 0.96 0.01 4.30 0.52 -1.26 -5.15 118.95 116.89 2k9j s ARG 962 Ca 0.53 -0.84 -0.13 0.00 -0.52 0.00 0.00 55.73 54.77 2k9j s ARG 962 Cb -0.42 -0.99 0.02 0.00 0.52 0.00 0.00 34.95 34.08 2k9j s ARG 962 CO 0.53 0.24 0.28 0.00 0.02 0.00 0.00 175.30 176.36 2k9j s ALA 963 N -0.95 -0.67 -0.72 2.13 0.00 -1.26 -4.98 121.76 115.31 2k9j s ALA 963 Ca 0.02 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.05 2k9j s ALA 963 Cb -0.08 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2k9j s ALA 963 CO 0.02 -0.30 0.64 -0.89 0.00 0.00 0.00 175.76 175.23 2k9j n ILE 964 N 1.06 -6.34 -1.79 0.00 2.08 -1.26 -4.86 119.36 108.25 2k9j n ILE 964 Ca -0.21 0.00 -0.40 0.00 0.56 0.00 0.00 62.75 62.71 2k9j n ILE 964 Cb 0.57 -4.71 0.02 0.00 -0.75 0.00 0.00 39.64 34.77 2k9j n ILE 964 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 2k9j s PRO 965 N -3.81 3.61 0.52 0.38 0.02 -1.26 -4.90 135.00 129.55 2k9j s PRO 965 Ca 0.07 2.41 0.29 0.00 0.02 0.00 0.00 61.00 63.78 2k9j s PRO 965 Cb -0.01 -2.61 1.36 0.00 0.02 0.00 0.00 34.50 33.27 2k9j s PRO 965 CO 0.84 -0.88 2.01 0.82 -0.33 0.00 0.00 177.00 179.46 2k9j h ILE 966 N 2.19 0.42 -0.81 2.83 1.08 -2.03 -3.00 117.51 118.20 2k9j h ILE 966 Ca -0.51 -0.66 0.10 0.00 -0.39 0.00 0.00 64.86 63.40 2k9j h ILE 966 Cb 1.27 1.47 -0.06 0.00 -3.07 0.00 0.00 36.82 36.43 2k9j h ILE 966 CO 0.61 0.12 0.53 -0.50 -0.69 0.00 0.00 178.15 178.21 2k9j h TRP 967 N 0.00 0.81 -0.89 1.37 4.06 -2.00 -0.91 115.95 118.39 2k9j h TRP 967 Ca -0.00 0.02 0.02 0.00 2.06 0.00 0.00 58.89 60.99 2k9j h TRP 967 Cb 0.46 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.31 2k9j h TRP 967 CO 0.00 0.38 0.59 -1.49 -3.56 0.00 0.00 178.44 174.35 2k9j h TRP 968 N 0.75 1.10 -0.44 0.49 4.06 -1.92 -1.14 115.95 118.86 2k9j h TRP 968 Ca 0.37 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 61.32 2k9j h TRP 968 Cb 0.45 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 2k9j h TRP 968 CO -0.00 0.66 0.15 0.28 -3.56 0.00 0.00 178.44 175.97 2k9j h VAL 969 N 1.16 1.21 -0.80 1.49 2.07 -1.36 -1.44 116.25 118.58 2k9j h VAL 969 Ca 0.34 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2k9j h VAL 969 Cb -0.06 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2k9j h VAL 969 CO -0.09 0.25 0.40 -0.07 0.02 0.00 0.00 177.57 178.08 2k9j h LEU 970 N 0.56 1.04 -0.43 2.57 4.07 -1.15 0.05 115.31 122.02 2k9j h LEU 970 Ca 0.14 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 2k9j h LEU 970 Cb 0.24 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 2k9j h LEU 970 CO -0.01 0.87 0.23 0.58 -1.08 0.00 0.00 178.44 179.04 2k9j h VAL 971 N 1.13 1.16 -0.69 1.22 2.07 -0.96 -0.25 116.25 119.93 2k9j h VAL 971 Ca 0.28 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2k9j h VAL 971 Cb 0.10 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2k9j h VAL 971 CO -0.04 0.17 0.23 1.23 0.02 0.00 0.00 177.57 179.18 2k9j h GLY 972 N 0.56 1.13 0.96 2.17 0.00 -0.86 -1.72 103.07 105.31 2k9j h GLY 972 Ca 0.15 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 2k9j h GLY 972 CO -0.02 0.60 0.17 -2.08 0.00 0.00 0.00 176.54 175.21 2k9j h VAL 973 N 1.02 1.21 -0.61 4.60 2.07 -0.52 -0.22 116.25 123.79 2k9j h VAL 973 Ca 0.23 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2k9j h VAL 973 Cb 0.26 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2k9j h VAL 973 CO -0.01 0.24 0.30 0.25 0.02 0.00 0.00 177.57 178.38 2k9j h LEU 974 N 0.59 0.79 -0.75 2.57 5.85 -0.77 -0.72 115.31 122.88 2k9j h LEU 974 Ca 0.15 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2k9j h LEU 974 Cb 0.21 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2k9j h LEU 974 CO -0.01 0.69 0.27 1.23 -0.34 0.00 0.00 178.44 180.28 2k9j h GLY 975 N 0.84 1.23 1.26 3.75 0.00 -1.07 -2.08 103.07 107.01 2k9j h GLY 975 Ca 0.21 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 2k9j h GLY 975 CO -0.03 0.66 0.13 -1.33 0.00 0.00 0.00 176.54 175.97 2k9j h GLY 976 N 1.10 0.99 1.02 4.60 0.00 -0.62 -2.15 103.07 108.00 2k9j h GLY 976 Ca 0.25 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2k9j h GLY 976 CO -0.01 0.55 0.34 -2.00 0.00 0.00 0.00 176.54 175.42 2k9j h LEU 977 N 0.88 1.00 -0.88 3.11 5.85 -0.73 -2.42 115.31 122.11 2k9j h LEU 977 Ca 0.19 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2k9j h LEU 977 Cb 0.33 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2k9j h LEU 977 CO 0.00 0.87 0.42 -0.07 -0.34 0.00 0.00 178.44 179.32 2k9j h LEU 978 N 1.06 1.11 -0.53 2.25 3.38 -0.93 -1.50 115.31 120.15 2k9j h LEU 978 Ca 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2k9j h LEU 978 Cb 0.15 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2k9j h LEU 978 CO -0.03 0.93 0.31 -0.07 0.09 0.00 0.00 178.44 179.66 2k9j h LEU 979 N 1.22 0.65 -0.46 1.67 3.38 -0.93 -0.22 115.31 120.63 2k9j h LEU 979 Ca 0.30 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2k9j h LEU 979 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2k9j h LEU 979 CO -0.04 0.54 0.04 0.25 0.09 0.00 0.00 178.44 179.32 2k9j h LEU 980 N 0.71 0.76 -0.26 1.67 5.85 -1.21 -2.18 115.31 120.65 2k9j h LEU 980 Ca 0.19 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2k9j h LEU 980 Cb 0.02 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2k9j h LEU 980 CO -0.03 0.86 0.10 0.74 -0.34 0.00 0.00 178.44 179.77 2k9j h THR 981 N 0.64 1.17 -0.48 1.05 2.02 -0.96 -1.04 112.91 115.32 2k9j h THR 981 Ca 0.14 -0.53 -0.10 0.00 0.77 0.00 0.00 66.41 66.68 2k9j h THR 981 Cb 0.44 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2k9j h THR 981 CO 0.02 0.18 -0.10 -0.29 0.37 0.00 0.00 175.52 175.70 2k9j h ILE 982 N 0.27 1.27 -0.55 3.11 2.10 -1.05 -0.73 117.51 121.93 2k9j h ILE 982 Ca 0.09 -1.23 -0.02 0.00 1.08 0.00 0.00 64.86 64.78 2k9j h ILE 982 Cb 0.18 1.07 -0.02 0.00 -1.09 0.00 0.00 36.82 36.96 2k9j h ILE 982 CO -0.01 0.42 0.25 0.25 -1.08 0.00 0.00 178.15 177.99 2k9j h LEU 983 N 0.77 0.73 -0.41 2.19 5.85 -1.33 -1.03 115.31 122.07 2k9j h LEU 983 Ca 0.12 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2k9j h LEU 983 Cb 0.65 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2k9j h LEU 983 CO 0.04 0.66 0.13 0.58 -0.34 0.00 0.00 178.44 179.51 2k9j h VAL 984 N 0.74 1.22 -0.62 1.05 2.07 -1.06 -2.53 116.25 117.11 2k9j h VAL 984 Ca 0.19 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2k9j h VAL 984 Cb 0.14 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2k9j h VAL 984 CO -0.02 0.26 0.33 0.25 0.02 0.00 0.00 177.57 178.41 2k9j h LEU 985 N 0.53 0.79 -0.55 2.57 5.85 -0.90 -0.92 115.31 122.68 2k9j h LEU 985 Ca 0.13 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2k9j h LEU 985 Cb 0.27 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2k9j h LEU 985 CO -0.00 0.67 0.27 0.00 -0.34 0.00 0.00 178.44 179.04 2k9j h ALA 986 N 1.15 0.70 -0.62 1.25 0.00 -1.07 0.24 119.26 120.91 2k9j h ALA 986 Ca 0.22 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2k9j h ALA 986 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2k9j h ALA 986 CO -0.03 0.26 0.03 0.52 0.00 0.00 0.00 179.25 180.02 2k9j h MET 987 N 0.74 1.08 -0.62 0.00 2.86 -1.25 -2.81 114.93 114.92 2k9j h MET 987 Ca 0.19 -0.33 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 2k9j h MET 987 Cb 0.10 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2k9j h MET 987 CO -0.03 1.03 0.13 2.35 1.06 0.00 0.00 176.91 181.45 2k9j h TRP 988 N 0.99 1.04 0.00 -0.22 7.01 -0.86 -2.01 115.95 121.91 2k9j h TRP 988 Ca 0.18 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 61.06 2k9j h TRP 988 Cb 0.53 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.29 2k9j h TRP 988 CO 0.04 0.87 0.00 1.63 -2.79 0.00 0.00 178.44 178.19 2k9j n LYS 989 N -4.24 0.09 0.13 2.65 4.76 0.04 -1.27 118.16 120.34 2k9j n LYS 989 Ca 0.04 0.43 0.11 0.00 -2.87 0.00 0.00 58.31 56.03 2k9j n LYS 989 Cb 0.26 -1.72 0.04 0.00 -1.84 0.00 0.00 35.03 31.78 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 0.02 0.00 -0.18 2.07 -1.26 -3.47 116.25 113.43 2k9j h VAL 990 Ca 0.00 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2k9j h VAL 990 Cb 0.19 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2k9j h VAL 990 CO 0.00 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.21 2k9j n GLY 991 N 1.16 0.71 0.29 2.17 0.00 -0.40 -4.91 105.19 104.22 2k9j n GLY 991 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 0.96 -0.01 1.61 3.57 -1.80 -2.18 116.94 119.09 2k9j h PHE 992 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2k9j h PHE 992 Cb 0.00 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2k9j h PHE 992 CO 0.00 0.69 -0.22 1.19 -2.23 0.00 0.00 178.31 177.74 2k9j n PHE 993 N -4.49 0.00 -4.36 0.41 3.72 -1.26 -4.77 117.46 106.70 2k9j n PHE 993 Ca 0.06 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.12 2k9j n PHE 993 Cb 0.10 -0.13 -0.15 0.00 -0.94 0.00 0.00 39.48 38.36 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 -2.47 3.24 0.03 -1.08 2.20 -0.82 -5.11 119.74 115.73 2k9j s LYS 994 Ca 0.26 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 55.13 2k9j s LYS 994 Cb 0.19 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.79 2k9j s LYS 994 CO 0.50 -0.04 -0.01 1.03 -0.36 0.00 0.00 175.35 176.47 2k9j s ARG 995 N 0.97 0.44 -0.43 4.03 0.52 -1.26 -4.76 118.95 118.45 2k9j s ARG 995 Ca -0.02 -0.80 -0.25 0.00 -0.52 0.00 0.00 55.73 54.13 2k9j s ARG 995 Cb -0.15 0.16 0.02 0.00 0.52 0.00 0.00 34.95 35.50 2k9j s ARG 995 CO -0.02 -0.08 0.92 1.21 0.02 0.00 0.00 175.30 177.35 2k9j s ASN 996 N -1.97 6.55 0.35 0.23 2.47 -1.26 -5.02 114.94 116.29 2k9j s ASN 996 Ca -0.08 0.26 0.01 0.00 0.42 0.00 0.00 52.86 53.47 2k9j s ASN 996 Cb -0.04 -2.45 -0.03 0.00 -1.45 0.00 0.00 41.25 37.28 2k9j s ASN 996 CO -0.04 -0.99 0.55 0.00 -3.72 0.00 0.00 177.10 172.90 2k9j s ARG 997 N 3.67 3.44 0.00 0.43 1.70 -1.26 -5.34 118.95 121.60 2k9j s ARG 997 Ca 0.37 -0.38 0.13 0.00 -0.47 0.00 0.00 55.73 55.39 2k9j s ARG 997 Cb -0.11 -2.67 0.79 0.00 -0.57 0.00 0.00 34.95 32.40 2k9j s ARG 997 CO 0.24 0.13 1.22 -0.35 -1.08 0.00 0.00 175.30 175.46