#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9j h ALA 958 N 0.00 1.16 -0.67 4.61 0.00 -2.01 -2.70 119.26 119.66 2k9j h ALA 958 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2k9j h ALA 958 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2k9j h ALA 958 CO 0.00 0.58 0.28 -0.07 0.00 0.00 0.00 179.25 180.04 2k9j h LEU 959 N 0.88 0.91 -9.85 0.00 3.38 -2.10 -3.43 115.31 105.11 2k9j h LEU 959 Ca 0.19 -0.16 -0.53 0.00 0.09 0.00 0.00 57.88 57.48 2k9j h LEU 959 Cb 0.30 -0.23 0.07 0.00 0.09 0.00 0.00 40.66 40.89 2k9j h LEU 959 CO -0.00 0.82 0.72 -1.61 0.09 0.00 0.00 178.44 178.45 2k9j s GLU 960 N -5.60 4.27 0.21 1.13 2.02 -1.02 -4.92 118.70 114.79 2k9j s GLU 960 Ca -0.13 2.33 -0.06 0.00 0.02 0.00 0.00 54.97 57.13 2k9j s GLU 960 Cb 0.14 -3.06 0.16 0.00 0.10 0.00 0.00 34.13 31.47 2k9j s GLU 960 CO 0.81 -0.35 1.68 0.93 0.02 0.00 0.00 175.26 178.34 2k9j h GLU 961 N 3.91 0.97 -6.69 1.61 5.08 -1.84 -3.43 114.58 114.20 2k9j h GLU 961 Ca -0.48 -0.30 -0.52 0.00 -1.00 0.00 0.00 59.36 57.06 2k9j h GLU 961 Cb 1.23 -0.10 0.04 0.00 0.50 0.00 0.00 28.75 30.42 2k9j h GLU 961 CO 0.70 0.96 0.70 0.50 -1.00 0.00 0.00 179.01 180.87 2k9j s ARG 962 N -5.00 4.34 0.01 2.33 3.52 -1.26 -5.01 118.95 117.88 2k9j s ARG 962 Ca -0.11 2.15 -0.17 0.00 -0.13 0.00 0.00 55.73 57.47 2k9j s ARG 962 Cb 0.14 -3.17 0.03 0.00 -1.56 0.00 0.00 34.95 30.39 2k9j s ARG 962 CO 0.84 -0.33 0.38 0.00 -0.81 0.00 0.00 175.30 175.38 2k9j s ALA 963 N 0.15 -0.93 -0.40 6.12 0.00 -1.26 -4.95 121.76 120.48 2k9j s ALA 963 Ca 0.58 0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.97 2k9j s ALA 963 Cb -0.39 0.21 0.23 0.00 0.00 0.00 0.00 23.12 23.17 2k9j s ALA 963 CO 0.39 -0.37 0.48 -0.89 0.00 0.00 0.00 175.76 175.38 2k9j n ILE 964 N 0.85 -0.82 -1.84 0.00 5.41 -1.26 -5.13 119.36 116.56 2k9j n ILE 964 Ca -0.20 -3.83 -0.39 0.00 1.00 0.00 0.00 62.75 59.34 2k9j n ILE 964 Cb 0.58 -1.83 0.03 0.00 -0.71 0.00 0.00 39.64 37.70 2k9j n ILE 964 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2k9j s PRO 965 N -0.84 3.35 0.22 0.38 0.02 -1.26 -4.91 135.00 131.96 2k9j s PRO 965 Ca 0.34 2.23 0.26 0.00 0.02 0.00 0.00 61.00 63.85 2k9j s PRO 965 Cb 0.14 -2.38 0.84 0.00 0.02 0.00 0.00 34.50 33.11 2k9j s PRO 965 CO -0.13 -1.02 1.77 0.44 -0.33 0.00 0.00 177.00 177.73 2k9j n ILE 966 N -0.74 0.63 -0.27 2.83 -5.35 -1.26 -3.56 119.36 111.64 2k9j n ILE 966 Ca 0.09 -0.21 -0.01 0.00 -0.27 0.00 0.00 62.75 62.34 2k9j n ILE 966 Cb 0.44 -0.68 0.17 0.00 -1.74 0.00 0.00 39.64 37.84 2k9j n ILE 966 CO 0.00 0.00 0.00 -0.50 -1.76 0.00 0.00 176.55 174.29 2k9j h TRP 967 N 0.00 1.08 -0.30 4.28 4.06 -1.99 -1.97 115.95 121.11 2k9j h TRP 967 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2k9j h TRP 967 Cb 0.68 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.47 2k9j h TRP 967 CO 0.00 0.72 0.19 -1.49 -3.56 0.00 0.00 178.44 174.29 2k9j h TRP 968 N 1.14 0.38 -0.18 0.49 4.06 -1.97 -1.93 115.95 117.94 2k9j h TRP 968 Ca 0.30 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.14 2k9j h TRP 968 Cb -0.06 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 27.96 2k9j h TRP 968 CO 0.00 0.26 -0.36 -0.24 -3.56 0.00 0.00 178.44 174.55 2k9j h VAL 969 N 0.39 1.29 -0.52 1.49 3.04 -1.73 -2.90 116.25 117.32 2k9j h VAL 969 Ca 0.11 -1.44 -0.02 0.00 -1.01 0.00 0.00 66.70 64.34 2k9j h VAL 969 Cb -0.02 1.54 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 2k9j h VAL 969 CO -0.02 0.44 0.25 0.25 -1.01 0.00 0.00 177.57 177.48 2k9j h LEU 970 N 0.33 0.69 -0.65 3.16 5.85 -0.98 -1.40 115.31 122.31 2k9j h LEU 970 Ca 0.04 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 2k9j h LEU 970 Cb 0.79 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2k9j h LEU 970 CO 0.06 0.63 0.07 -0.37 -0.34 0.00 0.00 178.44 178.49 2k9j h VAL 971 N 0.70 1.26 -0.84 1.05 -1.51 -1.30 -1.91 116.25 113.71 2k9j h VAL 971 Ca 0.18 -1.08 -0.03 0.00 -1.23 0.00 0.00 66.70 64.54 2k9j h VAL 971 Cb 0.12 0.69 -0.04 0.00 -2.13 0.00 0.00 31.29 29.94 2k9j h VAL 971 CO -0.02 0.40 0.42 1.23 -1.23 0.00 0.00 177.57 178.37 2k9j h GLY 972 N 1.01 1.29 0.95 5.19 0.00 -1.29 -0.37 103.07 109.86 2k9j h GLY 972 Ca 0.19 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 2k9j h GLY 972 CO 0.02 0.60 0.16 -2.08 0.00 0.00 0.00 176.54 175.24 2k9j h VAL 973 N 1.19 1.21 -0.70 4.60 2.07 -1.00 -1.90 116.25 121.72 2k9j h VAL 973 Ca 0.29 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2k9j h VAL 973 Cb 0.10 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2k9j h VAL 973 CO -0.04 0.24 0.33 0.25 0.02 0.00 0.00 177.57 178.37 2k9j h LEU 974 N 0.56 0.92 -0.86 2.57 5.85 -0.97 -2.37 115.31 121.01 2k9j h LEU 974 Ca 0.14 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2k9j h LEU 974 Cb 0.22 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2k9j h LEU 974 CO -0.01 0.80 0.48 1.23 -0.34 0.00 0.00 178.44 180.59 2k9j h GLY 975 N 0.98 1.28 1.00 3.75 0.00 -0.81 -0.22 103.07 109.05 2k9j h GLY 975 Ca 0.24 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2k9j h GLY 975 CO -0.03 0.55 0.27 -1.33 0.00 0.00 0.00 176.54 176.00 2k9j h GLY 976 N 1.20 0.98 1.03 4.60 0.00 -1.03 -0.84 103.07 109.01 2k9j h GLY 976 Ca 0.30 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 2k9j h GLY 976 CO -0.05 0.49 0.24 1.41 0.00 0.00 0.00 176.54 178.63 2k9j h LEU 977 N 0.86 0.98 -0.76 3.11 3.38 -1.01 -2.65 115.31 119.22 2k9j h LEU 977 Ca 0.21 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2k9j h LEU 977 Cb 0.17 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2k9j h LEU 977 CO -0.02 0.91 0.36 0.25 0.09 0.00 0.00 178.44 180.03 2k9j h LEU 978 N 0.99 1.00 -0.49 1.67 5.85 -0.62 -1.68 115.31 122.03 2k9j h LEU 978 Ca 0.22 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2k9j h LEU 978 Cb 0.26 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2k9j h LEU 978 CO -0.01 0.86 0.29 0.25 -0.34 0.00 0.00 178.44 179.48 2k9j h LEU 979 N 1.07 0.59 -0.62 2.25 6.46 -0.87 -0.15 115.31 124.05 2k9j h LEU 979 Ca 0.26 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 2k9j h LEU 979 Cb 0.13 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 2k9j h LEU 979 CO -0.03 0.48 0.25 0.25 -0.62 0.00 0.00 178.44 178.77 2k9j h LEU 980 N 0.65 0.85 -0.46 2.25 5.85 -1.24 -2.69 115.31 120.52 2k9j h LEU 980 Ca 0.17 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 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 0.78 0.21 0.74 -0.34 0.00 0.00 178.44 179.81 2k9j h THR 981 N 0.86 1.19 -0.45 1.05 2.02 -0.90 -2.13 112.91 114.55 2k9j h THR 981 Ca 0.21 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2k9j h THR 981 Cb 0.20 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2k9j h THR 981 CO -0.02 0.21 0.18 0.40 0.37 0.00 0.00 175.52 176.66 2k9j h ILE 982 N 0.59 1.20 -0.66 3.11 2.04 -0.89 0.29 117.51 123.19 2k9j h ILE 982 Ca 0.16 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 2k9j h ILE 982 Cb 0.13 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2k9j h ILE 982 CO -0.02 0.23 0.27 -0.07 0.00 0.00 0.00 178.15 178.56 2k9j h LEU 983 N 0.58 0.91 -0.43 1.44 -0.00 -1.43 -1.43 115.31 114.95 2k9j h LEU 983 Ca 0.15 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 2k9j h LEU 983 Cb 0.18 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.59 2k9j h LEU 983 CO -0.01 0.83 0.14 0.58 -0.00 0.00 0.00 178.44 179.97 2k9j h VAL 984 N 0.93 1.22 -0.57 1.22 2.07 -1.14 -2.06 116.25 117.92 2k9j h VAL 984 Ca 0.22 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2k9j h VAL 984 Cb 0.20 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2k9j h VAL 984 CO -0.02 0.25 0.27 0.25 0.02 0.00 0.00 177.57 178.35 2k9j h LEU 985 N 0.55 0.74 -0.58 2.57 5.85 -0.70 -0.21 115.31 123.53 2k9j h LEU 985 Ca 0.14 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2k9j h LEU 985 Cb 0.25 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2k9j h LEU 985 CO -0.01 0.66 0.17 0.00 -0.34 0.00 0.00 178.44 178.93 2k9j h ALA 986 N 1.11 0.76 -0.60 1.25 0.00 -1.15 -0.72 119.26 119.91 2k9j h ALA 986 Ca 0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2k9j h ALA 986 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2k9j h ALA 986 CO -0.02 0.43 0.02 0.52 0.00 0.00 0.00 179.25 180.20 2k9j h MET 987 N 0.82 1.04 -0.84 0.00 2.86 -1.17 -2.57 114.93 115.06 2k9j h MET 987 Ca 0.19 -0.32 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2k9j h MET 987 Cb 0.30 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2k9j h MET 987 CO -0.00 1.01 0.42 2.35 1.06 0.00 0.00 176.91 181.74 2k9j h TRP 988 N 0.93 1.19 -0.52 -0.22 7.01 -0.80 -1.10 115.95 122.44 2k9j h TRP 988 Ca 0.17 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 2k9j h TRP 988 Cb 0.52 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 2k9j h TRP 988 CO 0.04 0.85 0.30 0.87 -2.79 0.00 0.00 178.44 177.70 2k9j h LYS 989 N 1.19 0.71 -0.01 2.65 1.79 -0.79 -1.08 116.57 121.03 2k9j h LYS 989 Ca 0.29 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2k9j h LYS 989 Cb 0.09 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2k9j h LYS 989 CO -0.04 0.52 -0.14 0.28 -1.08 0.00 0.00 179.45 178.98 2k9j n VAL 990 N -4.41 0.00 -0.96 0.50 0.31 -0.84 -4.90 118.33 108.03 2k9j n VAL 990 Ca 0.05 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2k9j n VAL 990 Cb 0.09 0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 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 1.28 0.63 0.31 2.92 0.00 -0.41 -4.91 105.19 105.01 2k9j n GLY 991 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 1.05 -0.01 1.61 3.57 -1.45 -2.31 116.94 119.40 2k9j h PHE 992 Ca 0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2k9j h PHE 992 Cb 0.00 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.41 2k9j h PHE 992 CO 0.00 0.76 -0.18 1.19 -2.23 0.00 0.00 178.31 177.85 2k9j n PHE 993 N -4.42 0.00 -4.40 0.41 3.01 -1.23 -4.76 117.46 106.07 2k9j n PHE 993 Ca 0.06 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.25 2k9j n PHE 993 Cb 0.12 -0.16 -0.17 0.00 -0.01 0.00 0.00 39.48 39.27 2k9j n PHE 993 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2k9j s LYS 994 N -2.50 1.95 0.00 -1.08 -0.14 -0.87 -5.02 119.74 112.09 2k9j s LYS 994 Ca 0.26 -0.47 -0.01 0.00 -1.36 0.00 0.00 55.97 54.40 2k9j s LYS 994 Cb 0.20 -1.70 -0.01 0.00 -1.68 0.00 0.00 37.83 34.64 2k9j s LYS 994 CO 0.50 -0.07 0.01 0.50 -0.76 0.00 0.00 175.35 175.52 2k9j s ARG 995 N 1.02 0.16 -0.44 1.68 3.52 -1.26 -4.71 118.95 118.91 2k9j s ARG 995 Ca -0.07 -0.23 -0.26 0.00 -0.13 0.00 0.00 55.73 55.04 2k9j s ARG 995 Cb -0.15 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.33 2k9j s ARG 995 CO -0.01 -0.03 0.94 1.21 -0.81 0.00 0.00 175.30 176.60 2k9j s ASN 996 N -0.61 6.56 0.13 -2.12 3.84 -1.26 -5.02 114.94 116.45 2k9j s ASN 996 Ca -0.07 0.27 -0.07 0.00 0.21 0.00 0.00 52.86 53.20 2k9j s ASN 996 Cb -0.04 -2.46 -0.06 0.00 -0.55 0.00 0.00 41.25 38.14 2k9j s ASN 996 CO -0.00 -1.02 0.39 -0.13 -2.79 0.00 0.00 177.10 173.55 2k9j s ARG 997 N 3.74 3.67 0.00 0.43 3.00 -1.26 -5.34 118.95 123.19 2k9j s ARG 997 Ca 0.38 0.02 0.16 0.00 0.00 0.00 0.00 55.73 56.29 2k9j s ARG 997 Cb -0.10 -2.88 0.94 0.00 0.00 0.00 0.00 34.95 32.91 2k9j s ARG 997 CO 0.25 0.49 1.35 -0.35 0.00 0.00 0.00 175.30 177.03