#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1big n THR 3 N 0.00 0.00 -0.06 1.97 -2.24 -1.19 -4.75 114.28 108.01 1big n THR 3 Ca 0.00 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 1big n THR 3 Cb 0.00 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1big n THR 3 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1big n ASP 4 N -1.57 0.22 -4.58 3.42 2.03 -1.26 -4.88 116.55 109.92 1big n ASP 4 Ca -0.06 -0.56 -0.32 0.00 0.52 0.00 0.00 54.79 54.37 1big n ASP 4 Cb 0.35 0.57 -0.11 0.00 -0.72 0.00 0.00 41.12 41.22 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 -0.57 3.53 1.01 5.18 1.01 -1.26 -5.04 120.40 124.25 1big s VAL 5 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 1big s VAL 5 Cb 0.00 -2.54 0.19 0.00 0.00 0.00 0.00 36.38 34.03 1big s VAL 5 CO 0.00 0.36 1.11 -1.59 0.00 0.00 0.00 175.10 174.98 1big s LYS 6 N -1.50 0.37 0.25 2.72 0.00 -1.26 -2.05 119.74 118.27 1big s LYS 6 Ca 0.17 0.35 0.00 0.00 0.00 0.00 0.00 55.97 56.50 1big s LYS 6 Cb -0.11 -1.74 -0.03 0.00 0.00 0.00 0.00 37.83 35.94 1big s LYS 6 CO 0.08 -2.74 0.21 0.00 0.00 0.00 0.00 175.35 172.90 1big n THR 8 N -0.39 0.00 -3.93 0.00 -1.04 -1.26 -4.37 114.28 103.29 1big n THR 8 Ca 0.03 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.96 1big n THR 8 Cb 0.64 -1.39 -0.04 0.00 -1.82 0.00 0.00 70.33 67.73 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 -4.95 0.25 0.16 3.41 0.00 -1.26 -4.92 107.32 100.01 1big s GLY 9 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 44.72 43.82 1big s GLY 9 CO 0.00 -0.40 1.55 0.23 0.00 0.00 0.00 173.10 174.48 1big h SER 10 N 2.16 -1.83 -1.03 1.64 0.87 -1.86 -1.00 113.55 112.49 1big h SER 10 Ca -0.24 0.28 0.29 0.00 -1.23 0.00 0.00 61.79 60.89 1big h SER 10 Cb 1.25 0.80 -0.13 0.00 -0.44 0.00 0.00 62.40 63.89 1big h SER 10 CO 0.31 -0.32 0.61 0.07 -0.53 0.00 0.00 176.83 176.97 1big h LYS 11 N -0.19 0.43 -0.11 2.24 2.10 -1.94 0.58 116.57 119.67 1big h LYS 11 Ca 0.15 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.65 1big h LYS 11 Cb 0.53 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 1big h LYS 11 CO -0.76 0.28 -0.49 1.96 -2.00 0.00 0.00 179.45 178.44 1big h GLN 12 N 0.44 0.29 0.00 0.07 7.50 -1.59 -2.95 115.11 118.86 1big h GLN 12 Ca 0.68 -0.16 0.00 0.00 0.50 0.00 0.00 58.65 59.67 1big h GLN 12 Cb 1.50 0.01 0.00 0.00 0.05 0.00 0.00 27.48 29.04 1big h GLN 12 CO -0.49 0.72 0.00 0.00 -1.50 0.00 0.00 178.83 177.56 1big h TRP 14 N 0.00 -0.68 -0.55 0.00 4.06 -1.30 -0.41 115.95 117.07 1big h TRP 14 Ca 0.00 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1big h TRP 14 Cb 0.48 0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.84 1big h TRP 14 CO 0.00 -0.37 0.21 -1.00 -3.56 0.00 0.00 178.44 173.72 1big h PRO 15 N -1.11 0.83 -0.44 0.49 0.13 -1.73 -0.79 132.00 129.38 1big h PRO 15 Ca -0.07 -0.16 0.06 0.00 -0.87 0.00 0.00 66.00 64.96 1big h PRO 15 Cb 0.62 -0.13 -0.05 0.00 0.13 0.00 0.00 31.00 31.56 1big h PRO 15 CO 0.12 0.73 0.13 0.28 -0.23 0.00 0.00 178.00 179.03 1big h VAL 16 N 0.75 0.83 -0.39 1.56 2.07 -1.58 -0.13 116.25 119.36 1big h VAL 16 Ca 0.18 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 1big h VAL 16 Cb 0.21 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1big h VAL 16 CO -0.01 0.05 -0.13 0.00 0.02 0.00 0.00 177.57 177.50 1big h LYS 18 N 0.58 0.48 -0.13 0.00 3.64 -0.35 0.09 116.57 120.89 1big h LYS 18 Ca 0.09 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1big h LYS 18 Cb 0.66 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1big h LYS 18 CO 0.04 0.32 -0.18 0.37 -2.27 0.00 0.00 179.45 177.74 1big h GLN 19 N 0.50 0.34 0.18 1.90 5.75 -0.73 -1.86 115.11 121.19 1big h GLN 19 Ca 0.50 -0.20 0.01 0.00 -0.15 0.00 0.00 58.65 58.82 1big h GLN 19 Cb 0.84 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.37 1big h GLN 19 CO -0.45 0.77 -0.37 1.98 -2.65 0.00 0.00 178.83 178.11 1big h MET 20 N -0.06 -0.62 0.00 1.69 4.05 0.30 -3.42 114.93 116.87 1big h MET 20 Ca 0.01 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1big h MET 20 Cb 0.73 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1big h MET 20 CO 0.04 -0.41 -0.27 1.19 0.23 0.00 0.00 176.91 177.69 1big n PHE 21 N -5.45 -0.17 0.00 1.39 3.01 -0.12 -5.08 117.46 111.03 1big n PHE 21 Ca -0.08 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1big n PHE 21 Cb 0.36 0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 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 3.18 0.25 2.86 1.37 0.00 -0.70 -4.99 105.19 107.17 1big n GLY 22 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.13 0.00 1.61 3.01 -1.25 -4.92 119.74 119.32 1big s LYS 23 Ca 0.00 -1.54 0.00 0.00 -1.01 0.00 0.00 55.97 53.42 1big s LYS 23 Cb 0.00 -2.59 0.00 0.00 -1.01 0.00 0.00 37.83 34.23 1big s LYS 23 CO 0.00 -0.98 0.46 -0.35 0.51 0.00 0.00 175.35 174.98 1big n PRO 24 N 4.44 0.50 -3.46 -1.68 -0.04 -1.26 -3.17 135.00 130.33 1big n PRO 24 Ca 0.02 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.28 1big n PRO 24 Cb 0.41 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.35 2.63 0.00 3.54 3.02 -1.26 -4.46 115.26 118.38 1big n ASN 25 Ca 0.00 -2.36 0.00 0.00 -0.03 0.00 0.00 54.58 52.19 1big n ASN 25 Cb 0.02 0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.97 1.53 3.43 7.41 0.00 -1.26 -4.09 105.19 113.18 1big n GLY 26 Ca -0.09 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.55 1.84 0.21 1.61 1.02 -0.06 -4.65 119.74 118.16 1big s LYS 27 Ca 0.00 -2.10 0.09 0.00 0.02 0.00 0.00 55.97 53.98 1big s LYS 27 Cb 0.00 -0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 36.96 1big s LYS 27 CO 0.00 -0.52 -0.09 0.00 -0.92 0.00 0.00 175.35 173.82 1big n MET 29 N -0.19 1.05 -3.69 0.00 0.00 0.26 -4.83 117.12 109.72 1big n MET 29 Ca -0.09 -3.68 -0.21 0.00 0.00 0.00 0.00 57.70 53.71 1big n MET 29 Cb 0.57 -1.74 -0.03 0.00 0.00 0.00 0.00 33.22 32.02 1big n MET 29 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1big n ASN 30 N 1.89 -0.70 0.00 7.83 2.85 -1.26 -1.29 115.26 124.57 1big n ASN 30 Ca 0.25 -0.71 0.00 0.00 -0.11 0.00 0.00 54.58 54.01 1big n ASN 30 Cb 0.46 -0.87 0.00 0.00 1.24 0.00 0.00 39.78 40.61 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 -1.74 0.52 3.50 8.20 0.00 -1.26 -5.05 105.19 109.36 1big n GLY 31 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 2.39 0.79 1.61 3.01 -0.41 -0.14 119.74 126.97 1big s LYS 32 Ca 0.00 -0.79 -0.11 0.00 -1.01 0.00 0.00 55.97 54.07 1big s LYS 32 Cb 0.00 -2.35 0.06 0.00 -1.01 0.00 0.00 37.83 34.53 1big s LYS 32 CO 0.00 0.59 1.09 0.00 0.51 0.00 0.00 175.35 177.54 1big s ARG 34 N -4.98 0.77 0.28 0.00 6.06 0.15 -3.15 118.95 118.08 1big s ARG 34 Ca 0.61 -0.34 0.09 0.00 -2.50 0.00 0.00 55.73 53.59 1big s ARG 34 Cb -0.16 -0.75 -0.04 0.00 0.06 0.00 0.00 34.95 34.06 1big s ARG 34 CO 0.56 0.20 0.07 0.00 -2.50 0.00 0.00 175.30 173.63 1big n TYR 36 N -1.01 -0.45 0.55 0.00 4.02 -1.26 -4.81 117.16 114.21 1big n TYR 36 Ca -0.06 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.90 1big n TYR 36 Cb 0.59 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.97 1big n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30