#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 0.15 -0.28 4.37 -4.23 -1.11 -4.93 115.64 109.62 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 -2.53 0.49 0.00 1.34 0.00 0.00 72.50 71.80 1big s THR 3 CO 0.00 0.00 1.14 -0.67 -0.54 0.00 0.00 174.62 174.55 1big n ASP 4 N -0.58 2.97 -4.57 3.99 -0.08 -1.26 -4.60 116.55 112.41 1big n ASP 4 Ca 0.02 -2.76 -0.26 0.00 -1.51 0.00 0.00 54.79 50.29 1big n ASP 4 Cb 0.65 -0.42 -0.09 0.00 2.34 0.00 0.00 41.12 43.60 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 -4.14 3.16 0.12 5.18 0.11 -1.26 -5.06 120.40 118.51 1big s VAL 5 Ca 0.37 -1.78 -0.31 0.00 -2.93 0.00 0.00 61.98 57.34 1big s VAL 5 Cb 0.36 -2.60 -0.07 0.00 -1.53 0.00 0.00 36.38 32.54 1big s VAL 5 CO -0.01 -0.18 1.29 -0.54 -3.33 0.00 0.00 175.10 172.33 1big s LYS 6 N -3.04 4.39 0.16 1.54 3.01 -1.25 -3.70 119.74 120.85 1big s LYS 6 Ca 0.26 1.94 0.07 0.00 -1.01 0.00 0.00 55.97 57.24 1big s LYS 6 Cb -0.08 -3.27 -0.04 0.00 -1.01 0.00 0.00 37.83 33.42 1big s LYS 6 CO 0.16 -0.31 -0.15 0.00 0.51 0.00 0.00 175.35 175.56 1big n THR 8 N 0.06 1.40 0.00 0.00 5.66 -1.26 -4.33 114.28 115.82 1big n THR 8 Ca -0.12 -3.15 0.00 0.00 -3.05 0.00 0.00 64.05 57.73 1big n THR 8 Cb 0.59 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 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 -0.52 3.19 0.39 1.09 0.00 -1.26 -4.84 105.19 103.24 1big n GLY 9 Ca 0.13 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 1big n GLY 9 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1big h SER 10 N 0.00 -1.40 -0.98 1.61 4.64 -1.85 -2.72 113.55 112.85 1big h SER 10 Ca 0.00 0.21 0.39 0.00 -0.47 0.00 0.00 61.79 61.92 1big h SER 10 Cb 0.00 0.61 -0.18 0.00 -0.31 0.00 0.00 62.40 62.52 1big h SER 10 CO 0.00 -0.37 0.43 1.17 -0.87 0.00 0.00 176.83 177.19 1big n LYS 11 N -5.42 -0.06 -0.01 4.77 4.81 -1.26 0.23 118.16 121.21 1big n LYS 11 Ca -0.01 1.38 -0.09 0.00 -0.87 0.00 0.00 58.31 58.73 1big n LYS 11 Cb 0.35 -2.42 0.07 0.00 0.02 0.00 0.00 35.03 33.05 1big n LYS 11 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1big h GLN 12 N 0.00 0.60 0.00 1.64 -0.00 -1.81 -3.09 115.11 112.46 1big h GLN 12 Ca 0.79 -0.33 -0.00 0.00 -0.00 0.00 0.00 58.65 59.11 1big h GLN 12 Cb 2.03 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 29.52 1big h GLN 12 CO -0.79 0.93 -0.01 0.00 0.00 0.00 0.00 178.83 178.96 1big h TRP 14 N 0.00 -0.98 -0.01 0.00 4.06 -1.34 0.81 115.95 118.49 1big h TRP 14 Ca -0.00 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 1big h TRP 14 Cb 0.67 0.34 -0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1big h TRP 14 CO 0.00 -0.58 -0.00 -1.00 -3.56 0.00 0.00 178.44 173.30 1big h PRO 15 N -0.98 0.02 -0.87 0.49 0.13 -1.74 -1.14 132.00 127.91 1big h PRO 15 Ca -0.09 -0.01 0.18 0.00 -0.87 0.00 0.00 66.00 65.21 1big h PRO 15 Cb 0.77 -0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.79 1big h PRO 15 CO 0.13 0.33 0.42 0.28 -0.23 0.00 0.00 178.00 178.93 1big h VAL 16 N -0.30 0.61 -0.08 1.56 2.07 -1.59 0.75 116.25 119.27 1big h VAL 16 Ca 0.00 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1big h VAL 16 Cb 0.32 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1big h VAL 16 CO 0.00 0.10 -0.10 0.00 0.02 0.00 0.00 177.57 177.59 1big h LYS 18 N -0.23 0.43 0.05 0.00 1.63 0.30 0.35 116.57 119.11 1big h LYS 18 Ca 0.01 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1big h LYS 18 Cb 0.63 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1big h LYS 18 CO 0.02 0.29 -0.02 1.96 -3.45 0.00 0.00 179.45 178.25 1big h GLN 19 N 0.45 -0.06 0.37 1.90 1.08 -0.71 -2.95 115.11 115.18 1big h GLN 19 Ca 0.66 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.85 1big h GLN 19 Cb 1.37 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 1big h GLN 19 CO -0.54 0.43 -0.18 0.52 -0.95 0.00 0.00 178.83 178.12 1big h MET 20 N -0.58 -0.48 0.00 1.46 2.86 0.32 -3.43 114.93 115.09 1big h MET 20 Ca -0.01 0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.48 1big h MET 20 Cb 0.52 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1big h MET 20 CO 0.01 -0.20 -1.58 1.19 1.06 0.00 0.00 176.91 177.39 1big n PHE 21 N -5.11 0.00 0.00 -0.22 3.01 0.11 -5.05 117.46 110.19 1big n PHE 21 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1big n PHE 21 Cb 0.25 -0.68 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 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 1.43 0.90 2.99 1.37 0.00 -0.43 -4.96 105.19 106.49 1big n GLY 22 Ca -0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 1.69 0.00 1.61 -0.14 -1.25 -4.85 119.74 116.80 1big s LYS 23 Ca 0.00 -1.42 0.15 0.00 -1.36 0.00 0.00 55.97 53.34 1big s LYS 23 Cb 0.00 -2.84 0.89 0.00 -1.68 0.00 0.00 37.83 34.20 1big s LYS 23 CO 0.00 -0.74 1.30 -0.35 -0.76 0.00 0.00 175.35 174.80 1big n PRO 24 N 4.47 0.50 -3.20 -1.68 -0.04 -1.26 -2.92 135.00 130.87 1big n PRO 24 Ca -0.06 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.25 1big n PRO 24 Cb 0.42 -1.47 -0.03 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 -0.97 2.59 0.00 3.54 4.13 -1.26 -4.34 115.26 118.96 1big n ASN 25 Ca 0.11 -2.03 0.00 0.00 1.68 0.00 0.00 54.58 54.34 1big n ASN 25 Cb 0.05 0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 1big n ASN 25 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1big n GLY 26 N 2.14 1.00 3.26 7.41 0.00 -1.26 -4.13 105.19 113.61 1big n GLY 26 Ca -0.09 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.14 1.41 0.26 1.61 -2.85 0.26 -4.62 119.74 114.67 1big s LYS 27 Ca 0.00 -1.77 0.08 0.00 -1.00 0.00 0.00 55.97 53.27 1big s LYS 27 Cb 0.00 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 1big s LYS 27 CO 0.00 -0.43 0.15 0.00 0.10 0.00 0.00 175.35 175.16 1big s MET 29 N -3.80 0.81 -0.35 0.00 1.00 0.33 -4.87 119.30 112.41 1big s MET 29 Ca 0.33 -1.80 -0.05 0.00 0.00 0.00 0.00 55.69 54.16 1big s MET 29 Cb -0.07 -1.46 0.01 0.00 0.00 0.00 0.00 34.83 33.31 1big s MET 29 CO 0.24 -1.30 0.10 -1.71 0.00 0.00 0.00 175.02 172.35 1big n ASN 30 N 3.37 -0.52 0.00 3.03 2.85 -1.26 -1.22 115.26 121.51 1big n ASN 30 Ca 0.21 -0.34 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1big n ASN 30 Cb 0.42 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.03 1big n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1big n GLY 31 N -1.31 3.92 3.35 8.20 0.00 -1.26 -5.04 105.19 113.05 1big n GLY 31 Ca -0.05 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 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 1.35 0.69 1.61 3.01 -0.36 0.42 119.74 126.46 1big s LYS 32 Ca 0.00 -1.26 -0.13 0.00 -1.01 0.00 0.00 55.97 53.57 1big s LYS 32 Cb 0.00 -1.74 0.01 0.00 -1.01 0.00 0.00 37.83 35.09 1big s LYS 32 CO 0.00 0.42 1.08 0.00 0.51 0.00 0.00 175.35 177.35 1big s ARG 34 N -4.62 0.36 0.33 0.00 6.06 0.25 -2.73 118.95 118.59 1big s ARG 34 Ca 0.62 -0.48 0.10 0.00 -2.50 0.00 0.00 55.73 53.47 1big s ARG 34 Cb -0.17 -0.16 -0.06 0.00 0.06 0.00 0.00 34.95 34.63 1big s ARG 34 CO 0.49 0.03 -0.05 0.00 -2.50 0.00 0.00 175.30 173.26 1big s TYR 36 N -2.53 2.09 0.00 0.00 2.02 -1.26 -4.82 117.35 112.85 1big s TYR 36 Ca 0.33 -0.81 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1big s TYR 36 Cb -0.01 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 1big s TYR 36 CO 0.18 0.12 0.46 0.43 -1.57 0.00 0.00 175.55 175.17