#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 0.99 -0.42 1.97 -4.23 -1.17 -4.95 115.64 107.83 1big s THR 3 Ca 0.00 -2.03 0.09 0.00 -1.18 0.00 0.00 61.69 58.57 1big s THR 3 Cb 0.00 -2.13 0.41 0.00 1.34 0.00 0.00 72.50 72.13 1big s THR 3 CO 0.00 -0.50 1.02 -0.67 -0.54 0.00 0.00 174.62 173.93 1big n ASP 4 N -0.30 3.55 -4.62 3.99 2.03 -1.26 -4.00 116.55 115.93 1big n ASP 4 Ca -0.07 -3.40 -0.29 0.00 0.52 0.00 0.00 54.79 51.55 1big n ASP 4 Cb 0.63 -0.51 -0.09 0.00 -0.72 0.00 0.00 41.12 40.43 1big n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1big s VAL 5 N -4.52 3.59 -0.53 5.18 1.01 -1.26 -4.94 120.40 118.92 1big s VAL 5 Ca 0.42 -1.28 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 1big s VAL 5 Cb 0.39 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1big s VAL 5 CO -0.12 0.03 1.79 -0.54 0.00 0.00 0.00 175.10 176.27 1big s LYS 6 N -2.48 2.89 0.43 2.72 1.02 -1.23 -2.91 119.74 120.18 1big s LYS 6 Ca 0.24 0.80 0.05 0.00 0.02 0.00 0.00 55.97 57.08 1big s LYS 6 Cb -0.11 -4.30 -0.06 0.00 -0.52 0.00 0.00 37.83 32.84 1big s LYS 6 CO 0.16 -2.41 0.01 0.00 -0.92 0.00 0.00 175.35 172.20 1big n THR 8 N -1.03 0.00 -4.08 0.00 5.66 -1.26 -3.43 114.28 110.14 1big n THR 8 Ca -0.09 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.82 1big n THR 8 Cb 0.67 -0.53 -0.09 0.00 -1.55 0.00 0.00 70.33 68.83 1big n THR 8 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1big s GLY 9 N -3.98 0.80 0.18 1.09 0.00 -1.26 -4.84 107.32 99.31 1big s GLY 9 Ca 0.00 -1.25 -0.21 0.00 0.00 0.00 0.00 44.72 43.26 1big s GLY 9 CO 0.00 -1.17 1.60 1.76 0.00 0.00 0.00 173.10 175.30 1big h SER 10 N 2.75 -0.97 -0.91 1.64 0.02 -1.85 -2.26 113.55 111.97 1big h SER 10 Ca -0.34 0.19 0.26 0.00 -0.84 0.00 0.00 61.79 61.06 1big h SER 10 Cb 1.21 0.48 -0.14 0.00 0.14 0.00 0.00 62.40 64.09 1big h SER 10 CO 0.55 -0.29 0.32 0.11 -1.14 0.00 0.00 176.83 176.38 1big h LYS 11 N -0.18 0.23 -0.09 3.45 1.57 -1.95 0.20 116.57 119.80 1big h LYS 11 Ca 0.21 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 1big h LYS 11 Cb 0.52 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1big h LYS 11 CO -0.58 0.15 -0.49 1.96 -0.57 0.00 0.00 179.45 179.92 1big h GLN 12 N 0.24 0.23 0.00 3.15 7.50 -1.79 -2.92 115.11 121.52 1big h GLN 12 Ca 0.60 -0.13 0.00 0.00 0.50 0.00 0.00 58.65 59.62 1big h GLN 12 Cb 1.26 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.80 1big h GLN 12 CO -0.65 0.68 0.00 0.00 -1.50 0.00 0.00 178.83 177.36 1big h TRP 14 N 0.00 -0.76 -0.23 0.00 4.06 -1.18 0.65 115.95 118.49 1big h TRP 14 Ca 0.00 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1big h TRP 14 Cb 0.50 0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.91 1big h TRP 14 CO 0.00 -0.46 0.08 -1.00 -3.56 0.00 0.00 178.44 173.50 1big h PRO 15 N -1.20 0.36 -0.88 0.49 0.13 -1.74 -0.99 132.00 128.16 1big h PRO 15 Ca -0.08 -0.07 0.16 0.00 -0.87 0.00 0.00 66.00 65.13 1big h PRO 15 Cb 0.64 -0.05 -0.10 0.00 0.13 0.00 0.00 31.00 31.62 1big h PRO 15 CO 0.14 0.43 0.47 0.28 -0.23 0.00 0.00 178.00 179.08 1big h VAL 16 N 0.21 0.70 -0.15 1.56 2.07 -1.60 0.16 116.25 119.21 1big h VAL 16 Ca 0.08 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 1big h VAL 16 Cb 0.21 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1big h VAL 16 CO -0.00 0.12 -0.17 0.00 0.02 0.00 0.00 177.57 177.54 1big h LYS 18 N -0.01 0.33 0.11 0.00 3.64 0.29 0.12 116.57 121.05 1big h LYS 18 Ca 0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1big h LYS 18 Cb 0.71 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1big h LYS 18 CO 0.04 0.22 -0.05 1.96 -2.27 0.00 0.00 179.45 179.34 1big h GLN 19 N 0.33 -0.14 0.58 1.90 4.20 -0.87 -2.70 115.11 118.42 1big h GLN 19 Ca 0.59 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.28 1big h GLN 19 Cb 1.17 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.99 1big h GLN 19 CO -0.58 0.32 -0.28 1.98 -0.67 0.00 0.00 178.83 179.61 1big h MET 20 N -0.67 -0.75 0.00 1.46 4.05 -0.08 -3.42 114.93 115.52 1big h MET 20 Ca -0.01 0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 1big h MET 20 Cb 0.52 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 1big h MET 20 CO 0.02 -0.48 -0.92 1.19 0.23 0.00 0.00 176.91 176.95 1big n PHE 21 N -5.41 0.00 0.00 1.39 3.01 0.31 -5.07 117.46 111.70 1big n PHE 21 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1big n PHE 21 Cb 0.33 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1big n PHE 21 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1big n GLY 22 N 2.43 0.90 2.90 1.37 0.00 -0.84 -4.99 105.19 106.96 1big n GLY 22 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 1.21 0.00 1.61 3.01 -1.25 -4.88 119.74 119.43 1big s LYS 23 Ca 0.00 -1.62 0.00 0.00 -1.01 0.00 0.00 55.97 53.34 1big s LYS 23 Cb 0.00 -2.72 0.00 0.00 -1.01 0.00 0.00 37.83 34.10 1big s LYS 23 CO 0.00 -0.97 0.38 -0.35 0.51 0.00 0.00 175.35 174.92 1big n PRO 24 N 4.40 0.48 -4.52 -1.68 -0.04 -1.26 -3.16 135.00 129.22 1big n PRO 24 Ca 0.02 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.16 1big n PRO 24 Cb 0.41 -1.10 -0.05 0.00 -0.04 0.00 0.00 33.50 32.72 1big n PRO 24 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1big n ASN 25 N -0.18 3.27 0.00 3.54 0.23 -1.25 -4.34 115.26 116.52 1big n ASN 25 Ca 0.00 -3.20 0.00 0.00 -0.53 0.00 0.00 54.58 50.85 1big n ASN 25 Cb 0.05 0.25 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 1big n ASN 25 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1big n GLY 26 N -1.44 3.15 3.56 4.83 0.00 -1.26 -4.32 105.19 109.71 1big n GLY 26 Ca -0.16 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 1big n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1big s LYS 27 N -2.12 1.85 0.25 1.61 1.02 0.34 -4.50 119.74 118.19 1big s LYS 27 Ca 0.00 -2.06 0.11 0.00 0.02 0.00 0.00 55.97 54.05 1big s LYS 27 Cb 0.00 -1.26 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 1big s LYS 27 CO 0.00 -0.15 -0.17 0.00 -0.92 0.00 0.00 175.35 174.11 1big n MET 29 N -0.46 0.66 -3.37 0.00 0.00 0.30 -4.86 117.12 109.38 1big n MET 29 Ca -0.07 -3.52 -0.14 0.00 0.00 0.00 0.00 57.70 53.97 1big n MET 29 Cb 0.59 -1.80 -0.03 0.00 0.00 0.00 0.00 33.22 31.98 1big n MET 29 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1big n ASN 30 N 2.49 -0.01 0.00 7.83 0.23 -1.26 -1.25 115.26 123.29 1big n ASN 30 Ca 0.27 -0.53 0.00 0.00 -0.53 0.00 0.00 54.58 53.79 1big n ASN 30 Cb 0.45 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 1big n ASN 30 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1big n GLY 31 N -1.61 3.41 3.46 4.83 0.00 -1.22 -5.03 105.19 109.04 1big n GLY 31 Ca -0.12 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 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 2.50 0.74 1.61 -0.14 -0.38 -0.75 119.74 123.32 1big s LYS 32 Ca 0.00 -0.71 -0.11 0.00 -1.36 0.00 0.00 55.97 53.80 1big s LYS 32 Cb 0.00 -2.36 0.04 0.00 -1.68 0.00 0.00 37.83 33.82 1big s LYS 32 CO 0.00 0.61 1.08 0.00 -0.76 0.00 0.00 175.35 176.28 1big s ARG 34 N -4.96 0.48 0.27 0.00 6.06 0.24 -3.02 118.95 118.03 1big s ARG 34 Ca 0.60 -0.50 0.08 0.00 -2.50 0.00 0.00 55.73 53.41 1big s ARG 34 Cb -0.16 -0.35 -0.06 0.00 0.06 0.00 0.00 34.95 34.44 1big s ARG 34 CO 0.56 0.08 -0.11 0.00 -2.50 0.00 0.00 175.30 173.33 1big s TYR 36 N -2.86 2.56 0.00 0.00 2.02 -1.26 -4.78 117.35 113.02 1big s TYR 36 Ca 0.29 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1big s TYR 36 Cb 0.01 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1big s TYR 36 CO 0.12 0.36 0.00 -1.13 -1.57 0.00 0.00 175.55 173.34