#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 0.70 -0.55 1.97 -4.23 -0.61 -4.97 115.64 107.95 1big s THR 3 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 1big s THR 3 Cb 0.00 -2.64 0.40 0.00 1.34 0.00 0.00 72.50 71.61 1big s THR 3 CO 0.00 0.00 1.41 -0.90 -0.54 0.00 0.00 174.62 174.59 1big n ASP 4 N -0.67 5.64 -4.33 3.99 5.68 -1.26 -3.55 116.55 122.06 1big n ASP 4 Ca -0.01 -3.76 -0.35 0.00 -0.50 0.00 0.00 54.79 50.17 1big n ASP 4 Cb 0.66 -0.64 -0.14 0.00 -1.14 0.00 0.00 41.12 39.86 1big n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1big s VAL 5 N -5.31 3.52 -0.49 2.12 1.01 -1.26 -4.87 120.40 115.12 1big s VAL 5 Ca 0.50 -0.49 -0.44 0.00 0.00 0.00 0.00 61.98 61.55 1big s VAL 5 Cb 0.42 -2.63 -0.19 0.00 0.00 0.00 0.00 36.38 33.97 1big s VAL 5 CO -0.23 0.38 1.94 0.29 0.00 0.00 0.00 175.10 177.47 1big n LYS 6 N 4.81 0.00 -4.58 2.72 4.76 -1.22 -0.57 118.16 124.08 1big n LYS 6 Ca -0.18 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.00 1big n LYS 6 Cb 0.51 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 32.12 1big n LYS 6 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1big n THR 8 N -0.91 0.00 -4.02 0.00 -2.24 -1.26 -4.31 114.28 101.55 1big n THR 8 Ca -0.06 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 1big n THR 8 Cb 0.67 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 1big n THR 8 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1big s GLY 9 N -4.11 0.65 0.06 3.38 0.00 -1.26 -4.98 107.32 101.07 1big s GLY 9 Ca 0.00 -0.99 -0.27 0.00 0.00 0.00 0.00 44.72 43.47 1big s GLY 9 CO 0.00 -0.77 1.41 0.23 0.00 0.00 0.00 173.10 173.98 1big h SER 10 N 2.35 -1.05 -1.00 1.64 0.87 -1.84 -3.06 113.55 111.45 1big h SER 10 Ca -0.28 0.09 0.36 0.00 -1.23 0.00 0.00 61.79 60.72 1big h SER 10 Cb 1.25 0.35 -0.16 0.00 -0.44 0.00 0.00 62.40 63.40 1big h SER 10 CO 0.40 -0.49 0.55 0.11 -0.53 0.00 0.00 176.83 176.86 1big h LYS 11 N -0.74 0.18 -0.31 2.24 1.57 -1.93 0.22 116.57 117.80 1big h LYS 11 Ca -0.04 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1big h LYS 11 Cb 0.65 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1big h LYS 11 CO -0.06 0.12 0.21 0.37 -0.57 0.00 0.00 179.45 179.52 1big h GLN 12 N 0.18 0.15 -0.00 3.15 4.15 -1.86 -1.31 115.11 119.57 1big h GLN 12 Ca 0.78 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.19 1big h GLN 12 Cb 1.91 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.57 1big h GLN 12 CO -0.68 0.10 -0.02 0.00 -1.93 0.00 0.00 178.83 176.29 1big h TRP 14 N 0.18 -0.55 -0.23 0.00 4.06 -1.32 0.34 115.95 118.42 1big h TRP 14 Ca 0.00 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.91 1big h TRP 14 Cb 0.23 0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1big h TRP 14 CO 0.00 -0.29 0.02 -1.00 -3.56 0.00 0.00 178.44 173.61 1big h PRO 15 N -1.11 0.39 -0.61 0.49 0.13 -1.70 -0.89 132.00 128.71 1big h PRO 15 Ca -0.06 -0.12 0.05 0.00 -0.87 0.00 0.00 66.00 65.01 1big h PRO 15 Cb 0.51 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.55 1big h PRO 15 CO 0.10 0.55 0.33 0.28 -0.23 0.00 0.00 178.00 179.03 1big h VAL 16 N 0.18 0.96 -0.24 1.56 2.07 -1.64 -0.50 116.25 118.65 1big h VAL 16 Ca 0.07 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 1big h VAL 16 Cb 0.36 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1big h VAL 16 CO 0.01 0.11 -0.12 0.00 0.02 0.00 0.00 177.57 177.59 1big h LYS 18 N 0.21 0.31 -0.15 0.00 3.64 -0.53 0.39 116.57 120.45 1big h LYS 18 Ca 0.05 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1big h LYS 18 Cb 0.63 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1big h LYS 18 CO 0.04 0.21 -0.23 1.96 -2.27 0.00 0.00 179.45 179.15 1big h GLN 19 N 0.32 0.42 0.67 1.90 4.20 -0.80 -2.63 115.11 119.20 1big h GLN 19 Ca 0.57 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 1big h GLN 19 Cb 1.12 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.93 1big h GLN 19 CO -0.58 0.84 -0.32 0.52 -0.67 0.00 0.00 178.83 178.62 1big h MET 20 N 0.05 -0.87 0.00 1.46 2.86 0.70 -3.43 114.93 115.70 1big h MET 20 Ca 0.01 0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1big h MET 20 Cb 0.80 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1big h MET 20 CO 0.05 -0.54 -0.86 1.19 1.06 0.00 0.00 176.91 177.81 1big n PHE 21 N -5.42 0.00 0.00 -0.22 3.72 -0.08 -5.06 117.46 110.40 1big n PHE 21 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1big n PHE 21 Cb 0.38 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 2.53 0.68 3.01 1.37 0.00 -0.99 -4.99 105.19 106.80 1big n GLY 22 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 1.71 0.00 1.61 3.01 -1.26 -4.91 119.74 119.90 1big s LYS 23 Ca 0.00 -2.10 0.08 0.00 -1.01 0.00 0.00 55.97 52.94 1big s LYS 23 Cb 0.00 -3.30 0.41 0.00 -1.01 0.00 0.00 37.83 33.93 1big s LYS 23 CO 0.00 -1.01 1.03 -0.35 0.51 0.00 0.00 175.35 175.53 1big n PRO 24 N 3.95 0.16 -4.51 -1.68 -0.04 -1.26 -3.46 135.00 128.16 1big n PRO 24 Ca 0.04 0.13 -0.24 0.00 -0.04 0.00 0.00 63.50 63.39 1big n PRO 24 Cb 0.39 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 1big n PRO 24 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1big s ASN 25 N -2.35 3.37 -0.03 3.54 6.03 -1.25 -4.01 114.94 120.24 1big s ASN 25 Ca 0.09 -1.22 -0.31 0.00 -1.03 0.00 0.00 52.86 50.39 1big s ASN 25 Cb 0.05 -0.28 0.12 0.00 -3.03 0.00 0.00 41.25 38.11 1big s ASN 25 CO 0.10 -0.29 1.26 -0.83 -2.03 0.00 0.00 177.10 175.31 1big s GLY 26 N -3.56 -0.39 0.34 0.45 0.00 -1.25 -3.34 107.32 99.57 1big s GLY 26 Ca 0.32 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.82 1big s GLY 26 CO 0.15 0.17 0.02 0.28 0.00 0.00 0.00 173.10 173.71 1big n LYS 27 N -0.44 1.07 -4.30 2.90 5.02 0.57 -4.18 118.16 118.80 1big n LYS 27 Ca -0.07 -2.54 -0.19 0.00 -2.02 0.00 0.00 58.31 53.49 1big n LYS 27 Cb 0.62 0.79 -0.11 0.00 -0.02 0.00 0.00 35.03 36.32 1big n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1big n MET 29 N 0.20 0.66 -3.61 0.00 0.00 0.31 -4.86 117.12 109.83 1big n MET 29 Ca -0.13 -3.45 -0.19 0.00 0.00 0.00 0.00 57.70 53.94 1big n MET 29 Cb 0.58 -1.68 -0.03 0.00 0.00 0.00 0.00 33.22 32.09 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 2.28 -0.40 0.00 7.83 5.15 -1.26 -1.28 115.26 127.58 1big n ASN 30 Ca 0.27 -0.67 0.00 0.00 -0.60 0.00 0.00 54.58 53.58 1big n ASN 30 Cb 0.47 -0.82 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 1big n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1big n GLY 31 N -1.73 2.24 3.61 8.20 0.00 -1.26 -5.05 105.19 111.20 1big n GLY 31 Ca -0.13 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 2.83 0.75 1.61 3.01 -0.41 -0.61 119.74 126.93 1big s LYS 32 Ca 0.00 -0.51 -0.11 0.00 -1.01 0.00 0.00 55.97 54.34 1big s LYS 32 Cb 0.00 -2.65 0.04 0.00 -1.01 0.00 0.00 37.83 34.21 1big s LYS 32 CO 0.00 0.67 1.08 0.00 0.51 0.00 0.00 175.35 177.61 1big s ARG 34 N -4.97 0.51 0.29 0.00 6.06 0.15 -1.57 118.95 119.43 1big s ARG 34 Ca 0.60 -0.96 0.06 0.00 -2.50 0.00 0.00 55.73 52.92 1big s ARG 34 Cb -0.16 0.09 -0.06 0.00 0.06 0.00 0.00 34.95 34.89 1big s ARG 34 CO 0.56 -0.07 -0.02 0.00 -2.50 0.00 0.00 175.30 173.27 1big s TYR 36 N -3.11 1.83 0.00 0.00 2.02 -1.21 -4.69 117.35 112.18 1big s TYR 36 Ca 0.31 -0.84 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 1big s TYR 36 Cb 0.05 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 1big s TYR 36 CO 0.12 -0.18 0.45 0.43 -1.57 0.00 0.00 175.55 174.80