#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 1.30 -0.18 1.97 -4.23 -0.41 -4.86 115.64 109.24 1big s THR 3 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1big s THR 3 Cb 0.00 -2.63 0.40 0.00 1.34 0.00 0.00 72.50 71.61 1big s THR 3 CO 0.00 0.00 1.26 -0.90 -0.54 0.00 0.00 174.62 174.44 1big n ASP 4 N -1.01 2.55 -4.32 3.99 5.68 -1.26 -4.70 116.55 117.47 1big n ASP 4 Ca -0.08 -3.34 -0.24 0.00 -0.50 0.00 0.00 54.79 50.64 1big n ASP 4 Cb 0.66 -0.50 -0.12 0.00 -1.14 0.00 0.00 41.12 40.02 1big n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1big s VAL 5 N -2.99 1.87 0.75 2.12 1.01 -1.26 -5.09 120.40 116.80 1big s VAL 5 Ca 0.37 -1.72 -0.11 0.00 0.00 0.00 0.00 61.98 60.52 1big s VAL 5 Cb 0.33 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 35.01 1big s VAL 5 CO 0.02 -0.12 1.08 -1.59 0.00 0.00 0.00 175.10 174.49 1big s LYS 6 N -2.25 2.46 0.04 2.72 -2.85 -1.26 -2.92 119.74 115.68 1big s LYS 6 Ca 0.11 1.13 0.02 0.00 -1.00 0.00 0.00 55.97 56.23 1big s LYS 6 Cb -0.09 -1.92 -0.02 0.00 -2.06 0.00 0.00 37.83 33.74 1big s LYS 6 CO 0.06 -1.49 -0.07 0.00 0.10 0.00 0.00 175.35 173.95 1big n THR 8 N 1.43 1.32 0.00 0.00 -2.24 -1.26 -4.39 114.28 109.14 1big n THR 8 Ca -0.23 -3.22 0.00 0.00 -2.27 0.00 0.00 64.05 58.33 1big n THR 8 Cb 0.55 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1big n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1big n GLY 9 N -0.36 3.18 0.32 3.38 0.00 -1.26 -4.83 105.19 105.62 1big n GLY 9 Ca 0.13 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 1big n GLY 9 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1big h SER 10 N 0.00 -0.97 -1.30 1.61 0.02 -1.86 -2.84 113.55 108.22 1big h SER 10 Ca 0.00 0.16 0.46 0.00 -0.84 0.00 0.00 61.79 61.57 1big h SER 10 Cb 0.00 0.43 -0.15 0.00 0.14 0.00 0.00 62.40 62.82 1big h SER 10 CO 0.00 -0.33 0.81 0.07 -1.14 0.00 0.00 176.83 176.24 1big h LYS 11 N -0.33 0.02 -0.17 3.45 2.10 -1.91 0.28 116.57 120.01 1big h LYS 11 Ca 0.12 -0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.63 1big h LYS 11 Cb 0.52 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 1big h LYS 11 CO -0.40 0.01 -0.49 1.96 -2.00 0.00 0.00 179.45 178.53 1big h GLN 12 N 0.02 0.45 0.00 0.07 7.50 -1.82 -3.06 115.11 118.26 1big h GLN 12 Ca 0.87 -0.25 0.00 0.00 0.50 0.00 0.00 58.65 59.77 1big h GLN 12 Cb 2.69 0.02 0.00 0.00 0.05 0.00 0.00 27.48 30.24 1big h GLN 12 CO -0.53 0.84 0.00 0.00 -1.50 0.00 0.00 178.83 177.64 1big h TRP 14 N 0.00 -0.98 -0.28 0.00 4.06 -1.41 -0.03 115.95 117.31 1big h TRP 14 Ca 0.00 -0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 1big h TRP 14 Cb 0.62 0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 29.09 1big h TRP 14 CO 0.00 -0.61 0.02 -1.00 -3.56 0.00 0.00 178.44 173.29 1big h PRO 15 N -1.20 0.47 -0.59 0.49 0.13 -1.73 -1.02 132.00 128.56 1big h PRO 15 Ca -0.11 -0.14 0.07 0.00 -0.87 0.00 0.00 66.00 64.96 1big h PRO 15 Cb 0.81 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 1big h PRO 15 CO 0.18 0.61 0.26 0.28 -0.23 0.00 0.00 178.00 179.10 1big h VAL 16 N 0.27 0.85 -0.06 1.56 2.07 -1.60 0.10 116.25 119.45 1big h VAL 16 Ca 0.08 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1big h VAL 16 Cb 0.38 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1big h VAL 16 CO 0.01 0.09 -0.06 0.00 0.02 0.00 0.00 177.57 177.63 1big h LYS 18 N -0.31 0.45 0.40 0.00 3.64 -0.64 0.29 116.57 120.40 1big h LYS 18 Ca 0.01 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1big h LYS 18 Cb 0.58 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1big h LYS 18 CO 0.01 0.30 -0.19 0.37 -2.27 0.00 0.00 179.45 177.67 1big h GLN 19 N 0.46 -0.52 0.22 1.90 4.15 -0.59 -3.05 115.11 117.68 1big h GLN 19 Ca 0.66 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 60.10 1big h GLN 19 Cb 1.45 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.26 1big h GLN 19 CO -0.45 -0.27 -0.11 0.52 -1.93 0.00 0.00 178.83 176.60 1big h MET 20 N -1.08 -0.29 0.00 1.69 2.86 -0.45 -3.42 114.93 114.25 1big h MET 20 Ca -0.06 0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1big h MET 20 Cb 0.50 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1big h MET 20 CO 0.09 0.08 -1.32 1.19 1.06 0.00 0.00 176.91 178.01 1big n PHE 21 N -5.04 0.10 0.00 -0.22 3.72 0.86 -5.06 117.46 111.82 1big n PHE 21 Ca -0.09 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1big n PHE 21 Cb 0.26 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 1big n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1big n GLY 22 N 1.42 1.43 2.99 1.37 0.00 -0.28 -4.97 105.19 107.15 1big n GLY 22 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 1.73 0.00 1.61 3.01 -1.25 -4.87 119.74 119.97 1big s LYS 23 Ca 0.00 -1.31 0.14 0.00 -1.01 0.00 0.00 55.97 53.79 1big s LYS 23 Cb 0.00 -2.78 0.74 0.00 -1.01 0.00 0.00 37.83 34.78 1big s LYS 23 CO 0.00 -0.69 1.36 -0.35 0.51 0.00 0.00 175.35 176.17 1big n PRO 24 N 4.51 0.25 -1.80 -1.68 -0.04 -1.26 -3.09 135.00 131.89 1big n PRO 24 Ca -0.08 0.12 -0.05 0.00 -0.04 0.00 0.00 63.50 63.45 1big n PRO 24 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1big n PRO 24 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1big n ASN 25 N -1.23 1.09 0.00 3.54 3.02 -1.26 -4.28 115.26 116.14 1big n ASN 25 Ca 0.08 -1.35 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 1big n ASN 25 Cb 0.10 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1big n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1big n GLY 26 N 3.67 3.62 3.44 7.41 0.00 -1.26 -4.08 105.19 117.99 1big n GLY 26 Ca 0.01 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 1big n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1big s LYS 27 N -2.44 1.83 0.18 1.61 0.00 0.39 -4.49 119.74 116.81 1big s LYS 27 Ca 0.00 -2.09 0.05 0.00 0.00 0.00 0.00 55.97 53.93 1big s LYS 27 Cb 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 37.83 37.42 1big s LYS 27 CO 0.00 -0.49 0.15 0.00 0.00 0.00 0.00 175.35 175.01 1big s MET 29 N -3.21 1.51 -0.71 0.00 -1.94 0.18 -4.86 119.30 110.27 1big s MET 29 Ca 0.31 -2.50 -0.02 0.00 -1.71 0.00 0.00 55.69 51.77 1big s MET 29 Cb -0.10 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.46 1big s MET 29 CO 0.24 -1.30 0.04 0.09 -0.01 0.00 0.00 175.02 174.08 1big n ASN 30 N 2.71 0.13 0.00 3.03 4.13 -1.26 -1.24 115.26 122.76 1big n ASN 30 Ca 0.22 -0.61 0.00 0.00 1.68 0.00 0.00 54.58 55.87 1big n ASN 30 Cb 0.40 -0.75 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 1big n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1big n GLY 31 N -1.72 1.78 3.39 7.41 0.00 -1.26 -5.05 105.19 109.74 1big n GLY 31 Ca -0.14 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 2.20 0.65 1.61 3.01 -0.37 0.58 119.74 127.41 1big s LYS 32 Ca 0.00 -0.88 -0.14 0.00 -1.01 0.00 0.00 55.97 53.94 1big s LYS 32 Cb 0.00 -2.17 -0.01 0.00 -1.01 0.00 0.00 37.83 34.64 1big s LYS 32 CO 0.00 0.57 1.08 0.00 0.51 0.00 0.00 175.35 177.51 1big s ARG 34 N -4.31 0.66 0.23 0.00 6.06 0.10 -1.28 118.95 120.40 1big s ARG 34 Ca 0.64 -0.94 0.11 0.00 -2.50 0.00 0.00 55.73 53.03 1big s ARG 34 Cb -0.17 -0.35 -0.04 0.00 0.06 0.00 0.00 34.95 34.44 1big s ARG 34 CO 0.43 0.05 -0.15 0.00 -2.50 0.00 0.00 175.30 173.14 1big n TYR 36 N -0.25 -0.33 0.00 0.00 4.01 -1.26 -4.85 117.16 114.48 1big n TYR 36 Ca -0.09 -2.22 0.00 0.00 -0.16 0.00 0.00 57.90 55.43 1big n TYR 36 Cb 0.57 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1big n TYR 36 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83