#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqr n GLY 4 N 0.31 -2.16 0.18 0.00 0.00 -1.25 -3.99 105.19 98.28 1pqr n GLY 4 Ca 0.26 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 44.91 1pqr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pqr h PRO 5 N 0.00 0.00 0.00 1.61 0.13 -1.93 -3.45 132.00 128.37 1pqr h PRO 5 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pqr h PRO 5 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pqr h PRO 5 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 1pqr n TYR 6 N -2.57 0.00 0.07 1.56 4.01 -1.26 -5.19 117.16 113.77 1pqr n TYR 6 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1pqr n TYR 6 Cb 0.30 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 1pqr n TYR 6 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1pqr n ASN 8 N 0.00 -0.82 0.26 7.72 4.13 -1.26 -5.03 115.26 120.26 1pqr n ASN 8 Ca 0.00 0.26 0.10 0.00 1.68 0.00 0.00 54.58 56.62 1pqr n ASN 8 Cb 0.28 0.97 0.68 0.00 -1.54 0.00 0.00 39.78 40.17 1pqr n ASN 8 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pqr h ALA 9 N 0.00 1.50 -0.58 5.41 0.00 -2.04 -3.21 119.26 120.34 1pqr h ALA 9 Ca 0.00 -0.10 -0.58 0.00 0.00 0.00 0.00 54.91 54.22 1pqr h ALA 9 Cb 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.61 1pqr h ALA 9 CO 0.00 0.14 1.05 0.00 0.00 0.00 0.00 179.25 180.44 1pqr n ALA 10 N -2.38 6.57 -2.67 0.00 0.00 -1.26 -5.00 120.51 115.78 1pqr n ALA 10 Ca -0.02 -3.41 -0.43 0.00 0.00 0.00 0.00 53.44 49.58 1pqr n ALA 10 Cb 0.20 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.28 1pqr n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pqr n HIS 12 N 5.87 0.00 -0.41 0.00 8.25 -1.26 -4.98 115.22 122.69 1pqr n HIS 12 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1pqr n HIS 12 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1pqr n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pqr n GLY 15 N 1.65 -0.42 0.00 0.00 0.00 -1.26 -5.02 105.19 100.14 1pqr n GLY 15 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1pqr n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqr n LYS 17 N 0.00 0.00 -3.20 0.00 3.00 -1.26 -4.96 118.16 111.74 1pqr n LYS 17 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 1pqr n LYS 17 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 1pqr n LYS 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1pqr s VAL 18 N 0.00 5.02 0.00 3.15 0.11 -1.26 -4.64 120.40 122.78 1pqr s VAL 18 Ca 0.00 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 1pqr s VAL 18 Cb 0.00 -3.91 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 1pqr s VAL 18 CO 0.00 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 1pqr n GLY 19 N 4.49 -2.31 0.00 6.54 0.00 -1.26 -4.93 105.19 107.73 1pqr n GLY 19 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1pqr n GLY 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pqr n ARG 20 N 0.08 0.00 0.00 1.61 0.63 -1.26 -4.39 116.66 113.33 1pqr n ARG 20 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1pqr n ARG 20 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1pqr n ARG 20 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 1pqr n TYR 23 N 0.00 0.00 0.17 -0.14 4.11 -1.26 -4.26 117.16 115.78 1pqr n TYR 23 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.02 1pqr n TYR 23 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.35 1pqr n TYR 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pqr h ASP 25 N 0.00 0.37 0.00 0.00 3.58 -1.93 -3.46 116.42 114.98 1pqr h ASP 25 Ca 0.00 -0.81 0.00 0.00 0.42 0.00 0.00 57.03 56.64 1pqr h ASP 25 Cb 0.96 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1pqr h ASP 25 CO 0.00 1.73 0.00 0.54 -2.88 0.00 0.00 179.24 178.63 1pqr n ARG 26 N -3.43 0.00 0.10 0.28 1.74 -1.26 -5.16 116.66 108.93 1pqr n ARG 26 Ca -0.29 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1pqr n ARG 26 Cb 1.05 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 1pqr n ARG 26 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pqr n SER 28 N -1.90 -1.71 0.00 0.55 2.88 -1.26 -4.86 113.62 107.32 1pqr n SER 28 Ca 0.00 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1pqr n SER 28 Cb 0.00 1.85 0.00 0.00 -0.75 0.00 0.00 64.21 65.31 1pqr n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pqr n GLY 29 N -1.47 -2.05 0.55 0.46 0.00 -1.26 -5.20 105.19 96.23 1pqr n GLY 29 Ca 0.00 0.83 0.14 0.00 0.00 0.00 0.00 46.02 46.98 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93