#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 0.72 -0.64 1.97 -4.23 -1.07 -4.84 115.64 107.55 1big s THR 3 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1big s THR 3 Cb 0.00 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 1big s THR 3 CO 0.00 0.00 0.50 -0.90 -0.54 0.00 0.00 174.62 173.68 1big n ASP 4 N -1.27 0.90 -4.52 3.99 5.75 -1.26 -4.81 116.55 115.33 1big n ASP 4 Ca -0.08 -0.95 -0.33 0.00 -0.01 0.00 0.00 54.79 53.42 1big n ASP 4 Cb 0.65 0.59 -0.12 0.00 -1.03 0.00 0.00 41.12 41.21 1big n ASP 4 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1big s VAL 5 N -1.29 3.30 0.93 2.12 1.01 -1.26 -5.07 120.40 120.13 1big s VAL 5 Ca 0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1big s VAL 5 Cb 0.06 -2.33 0.15 0.00 0.00 0.00 0.00 36.38 34.26 1big s VAL 5 CO 0.22 0.56 1.10 -1.59 0.00 0.00 0.00 175.10 175.40 1big s LYS 6 N -0.86 1.00 0.30 2.72 -2.85 -1.26 -2.72 119.74 116.07 1big s LYS 6 Ca 0.12 0.61 0.04 0.00 -1.00 0.00 0.00 55.97 55.75 1big s LYS 6 Cb -0.11 -1.80 -0.03 0.00 -2.06 0.00 0.00 37.83 33.83 1big s LYS 6 CO 0.02 -2.37 0.21 0.00 0.10 0.00 0.00 175.35 173.31 1big n THR 8 N -0.55 0.00 -4.05 0.00 -1.04 -1.26 -4.47 114.28 102.91 1big n THR 8 Ca 0.04 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.95 1big n THR 8 Cb 0.64 -1.17 -0.06 0.00 -1.82 0.00 0.00 70.33 67.91 1big n THR 8 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1big s GLY 9 N -4.91 0.78 0.14 3.41 0.00 -1.26 -4.96 107.32 100.51 1big s GLY 9 Ca 0.00 -1.09 -0.26 0.00 0.00 0.00 0.00 44.72 43.37 1big s GLY 9 CO 0.00 -0.82 1.61 1.76 0.00 0.00 0.00 173.10 175.65 1big h SER 10 N 2.34 -1.00 -1.01 1.64 0.02 -1.85 -2.12 113.55 111.59 1big h SER 10 Ca -0.28 0.15 0.23 0.00 -0.84 0.00 0.00 61.79 61.05 1big h SER 10 Cb 1.25 0.43 -0.12 0.00 0.14 0.00 0.00 62.40 64.10 1big h SER 10 CO 0.40 -0.35 0.60 0.50 -1.14 0.00 0.00 176.83 176.83 1big h LYS 11 N -0.38 0.60 -0.02 3.45 3.64 -1.94 0.10 116.57 122.02 1big h LYS 11 Ca 0.10 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1big h LYS 11 Cb 0.54 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1big h LYS 11 CO -0.37 0.40 -0.51 1.96 -2.27 0.00 0.00 179.45 178.66 1big h GLN 12 N 0.62 0.07 0.00 1.90 7.50 -1.78 -2.86 115.11 120.55 1big h GLN 12 Ca 0.63 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.74 1big h GLN 12 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.69 1big h GLN 12 CO -0.45 0.57 0.00 0.00 -1.50 0.00 0.00 178.83 177.44 1big h TRP 14 N 0.00 -0.71 -0.18 0.00 4.06 -1.23 0.49 115.95 118.39 1big h TRP 14 Ca 0.00 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1big h TRP 14 Cb 0.45 0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.84 1big h TRP 14 CO 0.00 -0.39 0.09 -1.00 -3.56 0.00 0.00 178.44 173.58 1big h PRO 15 N -1.11 0.25 -0.96 0.49 0.13 -1.75 -1.29 132.00 127.77 1big h PRO 15 Ca -0.08 -0.03 0.18 0.00 -0.87 0.00 0.00 66.00 65.20 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 0.13 0.27 0.56 0.28 -0.23 0.00 0.00 178.00 179.01 1big h VAL 16 N 0.17 0.70 -0.02 1.56 2.07 -1.58 0.50 116.25 119.65 1big h VAL 16 Ca 0.06 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1big h VAL 16 Cb 0.10 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1big h VAL 16 CO -0.01 0.13 -0.03 0.00 0.02 0.00 0.00 177.57 177.69 1big h LYS 18 N -0.45 0.43 0.20 0.00 3.64 0.57 0.26 116.57 121.22 1big h LYS 18 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1big h LYS 18 Cb 0.55 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1big h LYS 18 CO 0.01 0.28 -0.10 1.96 -2.27 0.00 0.00 179.45 179.33 1big h GLN 19 N 0.44 -0.26 0.28 1.90 4.20 -0.77 -2.95 115.11 117.95 1big h GLN 19 Ca 0.65 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.36 1big h GLN 19 Cb 1.49 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.33 1big h GLN 19 CO -0.41 0.14 -0.13 0.52 -0.67 0.00 0.00 178.83 178.27 1big h MET 20 N -0.78 -0.36 0.00 1.46 2.86 0.03 -3.42 114.93 114.72 1big h MET 20 Ca -0.03 0.02 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 1big h MET 20 Cb 0.51 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 1big h MET 20 CO 0.04 -0.01 -1.81 1.19 1.06 0.00 0.00 176.91 177.39 1big n PHE 21 N -5.06 0.00 0.00 -0.22 3.01 0.81 -5.06 117.46 110.94 1big n PHE 21 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1big n PHE 21 Cb 0.26 -0.70 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 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 1.59 0.95 3.07 1.37 0.00 -0.57 -4.97 105.19 106.63 1big n GLY 22 Ca -0.35 0.00 -0.25 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 1.80 -0.04 1.61 3.01 -1.25 -4.84 119.74 120.04 1big s LYS 23 Ca 0.00 -0.50 0.07 0.00 -1.01 0.00 0.00 55.97 54.53 1big s LYS 23 Cb 0.00 -1.49 0.27 0.00 -1.01 0.00 0.00 37.83 35.59 1big s LYS 23 CO 0.00 0.10 1.10 -0.35 0.51 0.00 0.00 175.35 176.71 1big n PRO 24 N 3.59 1.98 -4.07 -1.68 -0.04 -1.26 -0.63 135.00 132.89 1big n PRO 24 Ca -0.21 -1.06 -0.25 0.00 -0.04 0.00 0.00 63.50 61.94 1big n PRO 24 Cb 0.52 -1.46 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.27 3.08 0.00 3.54 3.02 -1.26 -4.55 115.26 119.35 1big n ASN 25 Ca 0.10 -2.74 0.00 0.00 -0.03 0.00 0.00 54.58 51.91 1big n ASN 25 Cb 0.39 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 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 0.21 2.60 3.50 7.41 0.00 -1.26 -4.24 105.19 113.41 1big n GLY 26 Ca -0.16 -1.81 -0.25 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.72 1.91 0.15 1.61 1.02 0.14 -4.53 119.74 118.31 1big s LYS 27 Ca 0.00 -2.16 0.09 0.00 0.02 0.00 0.00 55.97 53.92 1big s LYS 27 Cb 0.00 -0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 36.69 1big s LYS 27 CO 0.00 -0.48 -0.17 0.00 -0.92 0.00 0.00 175.35 173.78 1big s MET 29 N -2.40 1.48 -0.60 0.00 1.00 0.16 -4.87 119.30 114.06 1big s MET 29 Ca 0.20 -2.41 -0.00 0.00 0.00 0.00 0.00 55.69 53.48 1big s MET 29 Cb -0.10 -2.31 0.00 0.00 0.00 0.00 0.00 34.83 32.43 1big s MET 29 CO 0.11 -1.28 0.01 0.27 0.00 0.00 0.00 175.02 174.14 1big n ASN 30 N 2.87 0.31 0.00 3.03 6.94 -1.26 -1.20 115.26 125.95 1big n ASN 30 Ca 0.19 -0.50 0.00 0.00 -0.02 0.00 0.00 54.58 54.25 1big n ASN 30 Cb 0.39 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 1big n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1big n GLY 31 N -1.62 1.16 3.44 4.83 0.00 -1.26 -5.06 105.19 106.69 1big n GLY 31 Ca -0.13 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 1.95 0.70 1.61 -0.14 -0.34 0.09 119.74 123.62 1big s LYS 32 Ca 0.00 -1.05 -0.12 0.00 -1.36 0.00 0.00 55.97 53.44 1big s LYS 32 Cb 0.00 -2.13 0.02 0.00 -1.68 0.00 0.00 37.83 34.04 1big s LYS 32 CO 0.00 0.52 1.08 0.00 -0.76 0.00 0.00 175.35 176.20 1big s ARG 34 N -4.61 1.16 0.32 0.00 6.06 0.18 -2.61 118.95 119.44 1big s ARG 34 Ca 0.62 -0.52 0.08 0.00 -2.50 0.00 0.00 55.73 53.41 1big s ARG 34 Cb -0.17 -1.12 -0.04 0.00 0.06 0.00 0.00 34.95 33.67 1big s ARG 34 CO 0.49 0.31 0.11 0.00 -2.50 0.00 0.00 175.30 173.71 1big n TYR 36 N -1.09 -0.12 0.11 0.00 4.02 -1.26 -4.79 117.16 114.03 1big n TYR 36 Ca -0.04 -1.71 0.01 0.00 -0.01 0.00 0.00 57.90 56.15 1big n TYR 36 Cb 0.60 -0.28 0.01 0.00 -0.02 0.00 0.00 39.34 39.65 1big n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30