#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1big s THR 3 N 0.00 0.62 -0.30 4.37 -4.23 -1.14 -4.96 115.64 110.00 1big s THR 3 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 1big s THR 3 Cb 0.00 -2.59 0.46 0.00 1.34 0.00 0.00 72.50 71.71 1big s THR 3 CO 0.00 -0.06 1.16 -0.67 -0.54 0.00 0.00 174.62 174.52 1big n ASP 4 N -0.45 4.30 -4.64 3.99 -0.08 -1.26 -4.37 116.55 114.03 1big n ASP 4 Ca -0.01 -3.45 -0.31 0.00 -1.51 0.00 0.00 54.79 49.51 1big n ASP 4 Cb 0.66 -0.38 -0.09 0.00 2.34 0.00 0.00 41.12 43.65 1big n ASP 4 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1big s VAL 5 N -4.55 3.82 0.62 5.18 0.11 -1.26 -5.00 120.40 119.32 1big s VAL 5 Ca 0.46 -0.95 -0.16 0.00 -2.93 0.00 0.00 61.98 58.40 1big s VAL 5 Cb 0.40 -2.77 -0.02 0.00 -1.53 0.00 0.00 36.38 32.46 1big s VAL 5 CO 0.00 0.21 1.11 -1.59 -3.33 0.00 0.00 175.10 171.50 1big s LYS 6 N -2.01 3.02 0.31 1.54 -2.85 -1.26 -2.19 119.74 116.31 1big s LYS 6 Ca 0.22 1.42 0.05 0.00 -1.00 0.00 0.00 55.97 56.66 1big s LYS 6 Cb -0.11 -1.98 -0.06 0.00 -2.06 0.00 0.00 37.83 33.62 1big s LYS 6 CO 0.14 -1.08 0.02 0.00 0.10 0.00 0.00 175.35 174.53 1big n THR 8 N -0.67 0.23 0.00 0.00 5.66 -1.26 -4.81 114.28 113.42 1big n THR 8 Ca -0.04 -1.22 0.00 0.00 -3.05 0.00 0.00 64.05 59.74 1big n THR 8 Cb 0.66 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.43 1big n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1big n GLY 9 N 0.18 3.44 0.37 1.09 0.00 -1.26 -4.83 105.19 104.19 1big n GLY 9 Ca 0.01 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.24 1big n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1big n SER 10 N 0.00 -0.57 -0.33 1.61 7.64 -1.26 -1.84 113.62 118.88 1big n SER 10 Ca 0.00 1.71 0.21 0.00 1.01 0.00 0.00 58.87 61.81 1big n SER 10 Cb 0.00 -0.42 0.43 0.00 -1.01 0.00 0.00 64.21 63.20 1big n SER 10 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1big h LYS 11 N 0.00 0.27 0.00 1.43 1.57 -1.92 -0.05 116.57 117.88 1big h LYS 11 Ca 0.38 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1big h LYS 11 Cb 0.62 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1big h LYS 11 CO -0.99 0.18 -0.07 0.37 -0.57 0.00 0.00 179.45 178.37 1big h GLN 12 N 0.28 0.00 0.00 3.15 4.15 -1.69 -1.51 115.11 119.50 1big h GLN 12 Ca 0.69 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.11 1big h GLN 12 Cb 1.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.23 1big h GLN 12 CO -0.63 0.07 0.00 0.00 -1.93 0.00 0.00 178.83 176.34 1big h TRP 14 N 0.00 -0.50 -0.44 0.00 4.06 -1.35 0.20 115.95 117.91 1big h TRP 14 Ca 0.00 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.86 1big h TRP 14 Cb 0.27 0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.58 1big h TRP 14 CO 0.00 -0.31 -0.03 -1.00 -3.56 0.00 0.00 178.44 173.53 1big h PRO 15 N -0.89 0.81 -0.49 0.49 0.13 -1.74 -0.99 132.00 129.32 1big h PRO 15 Ca -0.06 -0.28 0.02 0.00 -0.87 0.00 0.00 66.00 64.82 1big h PRO 15 Cb 0.41 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.45 1big h PRO 15 CO 0.09 0.89 0.30 0.28 -0.23 0.00 0.00 178.00 179.33 1big h VAL 16 N 0.65 1.08 -0.19 1.56 2.07 -1.64 -0.14 116.25 119.64 1big h VAL 16 Ca 0.12 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1big h VAL 16 Cb 0.55 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1big h VAL 16 CO 0.03 0.11 -0.23 0.00 0.02 0.00 0.00 177.57 177.50 1big h LYS 18 N 0.15 0.45 0.36 0.00 3.64 -0.77 0.28 116.57 120.67 1big h LYS 18 Ca 0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1big h LYS 18 Cb 0.78 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1big h LYS 18 CO 0.05 0.30 -0.17 0.37 -2.27 0.00 0.00 179.45 177.73 1big h GLN 19 N 0.46 -0.46 0.44 1.90 4.15 -0.82 -2.94 115.11 117.84 1big h GLN 19 Ca 0.62 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 60.05 1big h GLN 19 Cb 1.20 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1big h GLN 19 CO -0.52 -0.18 -0.21 0.52 -1.93 0.00 0.00 178.83 176.51 1big h MET 20 N -1.03 -0.56 0.00 1.69 2.86 -0.59 -3.41 114.93 113.89 1big h MET 20 Ca -0.05 0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1big h MET 20 Cb 0.49 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1big h MET 20 CO 0.08 -0.31 -1.22 0.34 1.06 0.00 0.00 176.91 176.86 1big n PHE 21 N -5.29 0.00 0.00 -0.22 7.35 0.80 -5.08 117.46 115.02 1big n PHE 21 Ca -0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 1big n PHE 21 Cb 0.28 -0.46 0.00 0.00 0.35 0.00 0.00 39.48 39.64 1big n PHE 21 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1big n GLY 22 N 2.03 0.56 2.75 7.13 0.00 -0.14 -4.97 105.19 112.56 1big n GLY 22 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1big n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1big s LYS 23 N 0.00 0.75 0.00 1.61 -0.14 -1.24 -4.86 119.74 115.86 1big s LYS 23 Ca 0.00 -0.51 0.06 0.00 -1.36 0.00 0.00 55.97 54.16 1big s LYS 23 Cb 0.00 -2.15 0.38 0.00 -1.68 0.00 0.00 37.83 34.37 1big s LYS 23 CO 0.00 -0.65 0.92 -0.35 -0.76 0.00 0.00 175.35 174.50 1big n PRO 24 N 5.00 0.61 -4.00 -1.68 -0.04 -1.26 -2.39 135.00 131.24 1big n PRO 24 Ca -0.09 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.06 1big n PRO 24 Cb 0.47 -1.16 -0.16 0.00 -0.04 0.00 0.00 33.50 32.61 1big n PRO 24 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1big s ASN 25 N -1.58 3.35 0.04 3.54 2.20 -1.26 -4.53 114.94 116.69 1big s ASN 25 Ca 0.09 -0.86 -0.00 0.00 -0.94 0.00 0.00 52.86 51.16 1big s ASN 25 Cb 0.04 -1.24 -0.03 0.00 -2.00 0.00 0.00 41.25 38.02 1big s ASN 25 CO 0.07 -0.13 -0.04 -0.83 -2.94 0.00 0.00 177.10 173.23 1big s GLY 26 N 1.39 0.40 0.54 0.45 0.00 -1.26 -1.31 107.32 107.54 1big s GLY 26 Ca -0.01 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.79 1big s GLY 26 CO -0.08 -1.03 0.15 0.54 0.00 0.00 0.00 173.10 172.67 1big s LYS 27 N -2.75 2.23 0.33 2.90 1.02 0.21 -4.12 119.74 119.57 1big s LYS 27 Ca -0.03 -2.32 0.10 0.00 0.02 0.00 0.00 55.97 53.74 1big s LYS 27 Cb -0.01 -1.71 -0.06 0.00 -0.52 0.00 0.00 37.83 35.53 1big s LYS 27 CO -0.05 -0.50 -0.11 0.00 -0.92 0.00 0.00 175.35 173.77 1big s MET 29 N -3.60 0.83 -0.88 0.00 -1.94 0.46 -4.77 119.30 109.40 1big s MET 29 Ca 0.32 -1.88 -0.04 0.00 -1.71 0.00 0.00 55.69 52.38 1big s MET 29 Cb 0.02 -1.31 0.01 0.00 2.01 0.00 0.00 34.83 35.55 1big s MET 29 CO 0.16 -1.35 0.07 -1.71 -0.01 0.00 0.00 175.02 172.18 1big n ASN 30 N 3.11 0.04 0.00 3.03 5.15 -1.26 -1.22 115.26 124.11 1big n ASN 30 Ca 0.26 -0.76 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 1big n ASN 30 Cb 0.46 -0.94 0.00 0.00 -0.53 0.00 0.00 39.78 38.78 1big n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1big n GLY 31 N -1.88 2.29 3.63 8.20 0.00 -1.26 -5.07 105.19 111.10 1big n GLY 31 Ca -0.17 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1big n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1big s LYS 32 N 0.00 2.30 0.82 1.61 -0.14 -0.36 0.10 119.74 124.08 1big s LYS 32 Ca 0.00 -0.97 -0.11 0.00 -1.36 0.00 0.00 55.97 53.53 1big s LYS 32 Cb 0.00 -2.39 0.08 0.00 -1.68 0.00 0.00 37.83 33.84 1big s LYS 32 CO 0.00 0.51 1.09 0.00 -0.76 0.00 0.00 175.35 176.19 1big s ARG 34 N -5.00 0.61 0.39 0.00 6.06 0.14 -2.88 118.95 118.28 1big s ARG 34 Ca 0.62 -0.94 0.06 0.00 -2.50 0.00 0.00 55.73 52.97 1big s ARG 34 Cb -0.16 -0.24 -0.08 0.00 0.06 0.00 0.00 34.95 34.53 1big s ARG 34 CO 0.56 0.02 0.02 0.00 -2.50 0.00 0.00 175.30 173.40 1big n TYR 36 N -0.90 -0.36 0.42 0.00 4.02 -0.42 -4.73 117.16 115.18 1big n TYR 36 Ca -0.04 -0.64 0.05 0.00 -0.01 0.00 0.00 57.90 57.26 1big n TYR 36 Cb 0.67 -0.10 0.04 0.00 -0.02 0.00 0.00 39.34 39.93 1big n TYR 36 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72