#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 0.11 -0.42 4.37 -4.23 -1.16 -4.94 115.64 109.37 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 -2.53 0.42 0.00 1.34 0.00 0.00 72.50 71.73 1big s THR 3 CO 0.00 0.00 1.05 -0.67 -0.54 0.00 0.00 174.62 174.46 1big n ASP 4 N -0.37 3.88 -4.47 3.99 2.03 -1.26 -4.40 116.55 115.95 1big n ASP 4 Ca 0.02 -3.48 -0.30 0.00 0.52 0.00 0.00 54.79 51.55 1big n ASP 4 Cb 0.66 -0.49 -0.12 0.00 -0.72 0.00 0.00 41.12 40.45 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 -4.84 2.80 0.04 5.18 1.01 -1.26 -5.02 120.40 118.31 1big s VAL 5 Ca 0.43 -1.33 -0.31 0.00 0.00 0.00 0.00 61.98 60.78 1big s VAL 5 Cb 0.40 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 1big s VAL 5 CO -0.13 0.23 1.38 -0.54 0.00 0.00 0.00 175.10 176.04 1big s LYS 6 N -1.74 4.31 0.23 2.72 1.02 -1.25 -2.89 119.74 122.13 1big s LYS 6 Ca 0.16 1.98 0.07 0.00 0.02 0.00 0.00 55.97 58.20 1big s LYS 6 Cb -0.11 -3.46 -0.05 0.00 -0.52 0.00 0.00 37.83 33.70 1big s LYS 6 CO 0.07 -0.50 -0.11 0.00 -0.92 0.00 0.00 175.35 173.89 1big n THR 8 N -0.45 1.49 0.00 0.00 5.66 -1.26 -4.32 114.28 115.40 1big n THR 8 Ca -0.07 -3.26 0.00 0.00 -3.05 0.00 0.00 64.05 57.67 1big n THR 8 Cb 0.61 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 70.06 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 -0.53 2.78 0.18 1.09 0.00 -1.26 -4.84 105.19 102.61 1big n GLY 9 Ca 0.15 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 1big n GLY 9 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1big h SER 10 N 0.00 -0.52 -1.73 1.61 0.87 -1.89 -3.10 113.55 108.79 1big h SER 10 Ca 0.00 0.05 0.52 0.00 -1.23 0.00 0.00 61.79 61.13 1big h SER 10 Cb 0.00 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.04 1big h SER 10 CO 0.00 -0.22 1.21 2.29 -0.53 0.00 0.00 176.83 179.57 1big n LYS 11 N -3.45 -0.01 -0.08 2.24 2.85 -1.26 -0.27 118.16 118.18 1big n LYS 11 Ca -0.04 1.10 -0.14 0.00 -1.05 0.00 0.00 58.31 58.18 1big n LYS 11 Cb 0.16 -2.40 -0.05 0.00 -0.65 0.00 0.00 35.03 32.09 1big n LYS 11 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1big h GLN 12 N 0.00 0.71 -0.28 -1.58 5.75 -1.85 -3.14 115.11 114.72 1big h GLN 12 Ca 0.89 -0.41 0.00 0.00 -0.15 0.00 0.00 58.65 58.98 1big h GLN 12 Cb 3.36 0.03 0.00 0.00 1.07 0.00 0.00 27.48 31.94 1big h GLN 12 CO -0.15 1.03 0.00 0.00 -2.65 0.00 0.00 178.83 177.05 1big h TRP 14 N 2.09 -0.51 -0.36 0.00 4.06 -1.45 0.44 115.95 120.22 1big h TRP 14 Ca 0.00 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 1big h TRP 14 Cb 0.47 0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1big h TRP 14 CO 0.18 -0.23 0.05 -1.00 -3.56 0.00 0.00 178.44 173.88 1big h PRO 15 N -1.07 0.60 -0.36 0.49 0.13 -1.74 -0.79 132.00 129.27 1big h PRO 15 Ca -0.06 -0.17 0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1big h PRO 15 Cb 0.51 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 1big h PRO 15 CO 0.09 0.68 0.20 0.28 -0.23 0.00 0.00 178.00 179.02 1big h VAL 16 N 0.43 1.01 -0.40 1.56 2.07 -1.61 -0.12 116.25 119.19 1big h VAL 16 Ca 0.11 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1big h VAL 16 Cb 0.38 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1big h VAL 16 CO 0.01 0.07 0.09 0.00 0.02 0.00 0.00 177.57 177.76 1big h LYS 18 N 0.51 0.71 -0.14 0.00 3.64 -0.59 0.29 116.57 120.98 1big h LYS 18 Ca 0.12 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1big h LYS 18 Cb 0.33 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1big h LYS 18 CO 0.00 0.47 -0.20 0.37 -2.27 0.00 0.00 179.45 177.83 1big h GLN 19 N 0.73 0.39 0.57 1.90 4.15 -0.46 -2.02 115.11 120.37 1big h GLN 19 Ca 0.58 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.75 1big h GLN 19 Cb 0.93 0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.64 1big h GLN 19 CO -0.40 0.80 -0.27 0.52 -1.93 0.00 0.00 178.83 177.55 1big h MET 20 N 0.00 -0.74 0.00 1.69 2.86 0.22 -3.42 114.93 115.54 1big h MET 20 Ca 0.02 0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1big h MET 20 Cb 0.76 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1big h MET 20 CO 0.05 -0.46 -0.70 1.19 1.06 0.00 0.00 176.91 178.04 1big n PHE 21 N -5.39 0.00 0.00 -0.22 3.72 -0.04 -5.06 117.46 110.47 1big n PHE 21 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1big n PHE 21 Cb 0.33 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 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 2.70 0.79 2.80 1.37 0.00 -0.76 -4.99 105.19 107.10 1big n GLY 22 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 1.57 0.00 1.61 -0.14 -1.25 -4.92 119.74 116.61 1big s LYS 23 Ca 0.00 -2.27 0.09 0.00 -1.36 0.00 0.00 55.97 52.43 1big s LYS 23 Cb 0.00 -2.73 0.45 0.00 -1.68 0.00 0.00 37.83 33.87 1big s LYS 23 CO 0.00 -1.14 1.11 -0.35 -0.76 0.00 0.00 175.35 174.20 1big n PRO 24 N 3.34 0.15 -4.12 -1.68 -0.04 -1.26 -3.65 135.00 127.74 1big n PRO 24 Ca 0.08 0.16 -0.34 0.00 -0.04 0.00 0.00 63.50 63.36 1big n PRO 24 Cb 0.34 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 1big n PRO 24 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1big s ASN 25 N -2.45 5.37 -0.13 3.54 0.01 -1.26 -4.30 114.94 115.71 1big s ASN 25 Ca 0.09 0.01 -0.08 0.00 -0.71 0.00 0.00 52.86 52.18 1big s ASN 25 Cb 0.06 -1.91 0.05 0.00 0.41 0.00 0.00 41.25 39.86 1big s ASN 25 CO 0.12 0.17 0.32 -0.83 -1.51 0.00 0.00 177.10 175.38 1big s GLY 26 N 0.38 -0.23 0.23 0.66 0.00 -1.26 -2.83 107.32 104.27 1big s GLY 26 Ca 0.01 1.18 0.11 0.00 0.00 0.00 0.00 44.72 46.02 1big s GLY 26 CO 0.01 1.32 -0.14 0.54 0.00 0.00 0.00 173.10 174.83 1big s LYS 27 N 1.08 1.88 0.27 2.90 1.02 0.36 -4.24 119.74 123.01 1big s LYS 27 Ca -0.07 -1.51 0.06 0.00 0.02 0.00 0.00 55.97 54.46 1big s LYS 27 Cb -0.08 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1big s LYS 27 CO -0.08 0.38 0.32 0.00 -0.92 0.00 0.00 175.35 175.05 1big s MET 29 N -3.97 1.28 -0.62 0.00 -1.94 0.25 -4.89 119.30 109.41 1big s MET 29 Ca 0.36 -2.28 -0.08 0.00 -1.71 0.00 0.00 55.69 51.98 1big s MET 29 Cb -0.08 -2.01 0.01 0.00 2.01 0.00 0.00 34.83 34.76 1big s MET 29 CO 0.28 -1.31 0.15 -1.71 -0.01 0.00 0.00 175.02 172.43 1big n ASN 30 N 2.90 -0.71 0.00 3.03 2.85 -1.26 -1.25 115.26 120.82 1big n ASN 30 Ca 0.22 -0.58 0.00 0.00 -0.11 0.00 0.00 54.58 54.11 1big n ASN 30 Cb 0.41 -0.71 0.00 0.00 1.24 0.00 0.00 39.78 40.73 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 -1.58 3.08 3.46 8.20 0.00 -1.26 -5.06 105.19 112.04 1big n GLY 31 Ca -0.10 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 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 2.43 0.67 1.61 -0.14 -0.38 -0.17 119.74 123.76 1big s LYS 32 Ca 0.00 -0.74 -0.13 0.00 -1.36 0.00 0.00 55.97 53.74 1big s LYS 32 Cb 0.00 -2.34 0.00 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 -4.44 0.43 0.39 0.00 3.52 0.21 -2.99 118.95 116.07 1big s ARG 34 Ca 0.63 -0.50 0.08 0.00 -0.13 0.00 0.00 55.73 55.80 1big s ARG 34 Cb -0.17 -0.25 -0.07 0.00 -1.56 0.00 0.00 34.95 32.89 1big s ARG 34 CO 0.46 0.05 0.00 0.00 -0.81 0.00 0.00 175.30 175.00 1big n TYR 36 N -0.95 0.00 0.64 0.00 4.01 -1.13 -4.81 117.16 114.92 1big n TYR 36 Ca -0.05 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.77 1big n TYR 36 Cb 0.66 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.75 1big n TYR 36 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85