#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 0.00 -0.41 4.37 -4.23 -1.13 -4.95 115.64 109.29 1big s THR 3 Ca 0.00 -1.59 0.10 0.00 -1.18 0.00 0.00 61.69 59.01 1big s THR 3 Cb 0.00 -2.35 0.42 0.00 1.34 0.00 0.00 72.50 71.91 1big s THR 3 CO 0.00 0.00 1.02 -0.67 -0.54 0.00 0.00 174.62 174.43 1big n ASP 4 N -0.51 3.39 -4.38 3.99 2.03 -1.26 -3.92 116.55 115.88 1big n ASP 4 Ca -0.00 -3.34 -0.34 0.00 0.52 0.00 0.00 54.79 51.63 1big n ASP 4 Cb 0.63 -0.50 -0.14 0.00 -0.72 0.00 0.00 41.12 40.39 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 -4.47 3.39 -0.48 5.18 1.01 -1.26 -4.81 120.40 118.96 1big s VAL 5 Ca 0.41 -0.52 -0.43 0.00 0.00 0.00 0.00 61.98 61.44 1big s VAL 5 Cb 0.41 -2.49 -0.18 0.00 0.00 0.00 0.00 36.38 34.12 1big s VAL 5 CO -0.10 0.48 2.03 2.29 0.00 0.00 0.00 175.10 179.79 1big n LYS 6 N 3.98 0.00 -4.53 2.72 2.85 -1.24 -0.44 118.16 121.50 1big n LYS 6 Ca -0.18 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.83 1big n LYS 6 Cb 0.52 -1.45 -0.10 0.00 -0.65 0.00 0.00 35.03 33.35 1big n LYS 6 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1big n THR 8 N -0.85 0.00 -3.94 0.00 -1.04 -1.26 -4.04 114.28 103.15 1big n THR 8 Ca -0.05 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.87 1big n THR 8 Cb 0.66 -1.04 -0.05 0.00 -1.82 0.00 0.00 70.33 68.09 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 -4.65 0.37 0.07 3.41 0.00 -1.26 -4.86 107.32 100.40 1big s GLY 9 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 44.72 43.79 1big s GLY 9 CO 0.00 -0.54 1.35 1.76 0.00 0.00 0.00 173.10 175.67 1big h SER 10 N 2.25 -1.10 -1.23 1.64 0.02 -1.84 -2.46 113.55 110.82 1big h SER 10 Ca -0.26 0.13 0.44 0.00 -0.84 0.00 0.00 61.79 61.26 1big h SER 10 Cb 1.25 0.43 -0.15 0.00 0.14 0.00 0.00 62.40 64.08 1big h SER 10 CO 0.36 -0.30 0.76 0.07 -1.14 0.00 0.00 176.83 176.58 1big h LYS 11 N -0.35 0.05 -0.15 3.45 2.10 -1.94 0.56 116.57 120.29 1big h LYS 11 Ca 0.02 -0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.53 1big h LYS 11 Cb 0.42 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1big h LYS 11 CO -0.29 0.04 -0.50 0.37 -2.00 0.00 0.00 179.45 177.06 1big h GLN 12 N 0.06 0.41 -0.00 0.07 4.15 -1.79 -2.72 115.11 115.28 1big h GLN 12 Ca 0.84 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 60.03 1big h GLN 12 Cb 2.51 0.02 0.00 0.00 0.21 0.00 0.00 27.48 30.22 1big h GLN 12 CO -0.54 0.82 0.00 0.00 -1.93 0.00 0.00 178.83 177.17 1big h TRP 14 N 0.19 -0.59 -0.56 0.00 4.06 -1.18 0.11 115.95 117.98 1big h TRP 14 Ca 0.00 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1big h TRP 14 Cb 0.04 0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.37 1big h TRP 14 CO 0.00 -0.37 0.32 -1.00 -3.56 0.00 0.00 178.44 173.84 1big h PRO 15 N -1.11 0.77 -0.52 0.49 0.13 -1.71 0.49 132.00 130.53 1big h PRO 15 Ca -0.07 -0.08 0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1big h PRO 15 Cb 0.49 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.43 1big h PRO 15 CO 0.11 0.57 0.30 0.28 -0.23 0.00 0.00 178.00 179.03 1big h VAL 16 N 0.76 1.02 -0.04 1.56 2.07 -1.59 -0.91 116.25 119.12 1big h VAL 16 Ca 0.20 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 1big h VAL 16 Cb 0.01 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1big h VAL 16 CO -0.03 0.11 -0.51 0.00 0.02 0.00 0.00 177.57 177.16 1big h LYS 18 N 0.08 -0.05 -0.05 0.00 3.64 0.18 -0.13 116.57 120.22 1big h LYS 18 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1big h LYS 18 Cb 0.92 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1big h LYS 18 CO 0.07 -0.03 -0.09 -0.56 -2.27 0.00 0.00 179.45 176.56 1big h GLN 19 N -0.05 0.16 -0.07 1.90 3.07 -1.09 -2.07 115.11 116.95 1big h GLN 19 Ca 0.01 -0.10 0.02 0.00 0.09 0.00 0.00 58.65 58.67 1big h GLN 19 Cb 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.61 1big h GLN 19 CO -0.02 0.67 -0.04 1.98 0.09 0.00 0.00 178.83 181.52 1big h MET 20 N -0.34 -0.03 0.00 0.06 4.05 -1.20 -3.41 114.93 114.06 1big h MET 20 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1big h MET 20 Cb 0.66 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 1big h MET 20 CO 0.02 -0.02 -0.29 1.19 0.23 0.00 0.00 176.91 178.04 1big n PHE 21 N -5.16 0.00 0.00 1.39 3.01 -0.18 -5.07 117.46 111.45 1big n PHE 21 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1big n PHE 21 Cb 0.09 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 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 2.80 0.79 2.64 1.37 0.00 -0.50 -5.00 105.19 107.30 1big n GLY 22 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 1.60 0.00 1.61 -0.14 -1.22 -4.95 119.74 116.64 1big s LYS 23 Ca 0.00 -2.60 0.03 0.00 -1.36 0.00 0.00 55.97 52.04 1big s LYS 23 Cb 0.00 -2.36 0.20 0.00 -1.68 0.00 0.00 37.83 33.98 1big s LYS 23 CO 0.00 -1.31 0.71 -0.35 -0.76 0.00 0.00 175.35 173.64 1big n PRO 24 N 2.59 0.10 -3.88 -1.68 -0.04 -1.26 -4.02 135.00 126.80 1big n PRO 24 Ca 0.23 0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 63.36 1big n PRO 24 Cb 0.41 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.07 4.59 0.30 3.54 -0.87 -1.26 -4.09 114.94 115.08 1big s ASN 25 Ca 0.05 -0.68 0.07 0.00 -1.57 0.00 0.00 52.86 50.73 1big s ASN 25 Cb 0.02 -1.76 -0.06 0.00 -0.02 0.00 0.00 41.25 39.43 1big s ASN 25 CO 0.04 -0.12 -0.07 -0.83 -2.57 0.00 0.00 177.10 173.55 1big s GLY 26 N 1.43 1.96 0.33 0.66 0.00 -1.24 -1.46 107.32 108.99 1big s GLY 26 Ca 0.03 -1.97 0.04 0.00 0.00 0.00 0.00 44.72 42.81 1big s GLY 26 CO -0.02 -1.90 0.06 1.25 0.00 0.00 0.00 173.10 172.49 1big s LYS 27 N -3.69 1.68 0.24 2.90 2.20 -0.07 -4.22 119.74 118.77 1big s LYS 27 Ca 0.31 -1.94 0.10 0.00 -0.36 0.00 0.00 55.97 54.08 1big s LYS 27 Cb 0.03 -0.84 -0.05 0.00 -1.51 0.00 0.00 37.83 35.47 1big s LYS 27 CO 0.13 -0.22 -0.18 0.00 -0.36 0.00 0.00 175.35 174.73 1big n MET 29 N -0.46 1.20 -3.63 0.00 0.00 0.28 -4.82 117.12 109.68 1big n MET 29 Ca -0.07 -3.67 -0.20 0.00 0.00 0.00 0.00 57.70 53.76 1big n MET 29 Cb 0.60 -1.60 -0.03 0.00 0.00 0.00 0.00 33.22 32.19 1big n MET 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1big n ASN 30 N 1.44 -0.40 0.00 7.83 3.02 -1.26 -1.32 115.26 124.57 1big n ASN 30 Ca 0.24 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 1big n ASN 30 Cb 0.48 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1big n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1big n GLY 31 N -1.76 1.25 3.59 7.41 0.00 -1.26 -5.04 105.19 109.38 1big n GLY 31 Ca -0.14 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 2.54 0.76 1.61 3.01 -0.43 -0.84 119.74 126.38 1big s LYS 32 Ca 0.00 -0.73 -0.11 0.00 -1.01 0.00 0.00 55.97 54.12 1big s LYS 32 Cb 0.00 -2.49 0.05 0.00 -1.01 0.00 0.00 37.83 34.38 1big s LYS 32 CO 0.00 0.60 1.08 0.00 0.51 0.00 0.00 175.35 177.54 1big s ARG 34 N -4.97 0.68 0.32 0.00 6.06 0.74 -2.83 118.95 118.96 1big s ARG 34 Ca 0.60 -1.07 0.04 0.00 -2.50 0.00 0.00 55.73 52.80 1big s ARG 34 Cb -0.16 0.25 -0.06 0.00 0.06 0.00 0.00 34.95 35.04 1big s ARG 34 CO 0.56 -0.16 0.05 0.00 -2.50 0.00 0.00 175.30 173.25 1big n TYR 36 N -0.68 0.41 0.31 0.00 4.01 -0.54 -4.68 117.16 115.98 1big n TYR 36 Ca -0.02 -1.14 0.04 0.00 -0.16 0.00 0.00 57.90 56.62 1big n TYR 36 Cb 0.66 -0.11 0.03 0.00 -0.31 0.00 0.00 39.34 39.61 1big n TYR 36 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83