#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 3.72 0.09 0.29 0.00 0.00 -1.26 -4.80 105.19 103.24 1pqr n GLY 4 Ca 0.33 -0.42 0.27 0.00 0.00 0.00 0.00 46.02 46.19 1pqr n GLY 4 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pqr n PRO 5 N 0.00 -0.04 -2.38 1.61 -0.02 -1.26 -4.89 135.00 128.02 1pqr n PRO 5 Ca 0.00 1.00 -0.07 0.00 -2.02 0.00 0.00 63.50 62.41 1pqr n PRO 5 Cb 0.00 -1.86 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1pqr n PRO 5 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1pqr n TYR 6 N -4.48 -0.42 0.00 6.00 4.01 -1.26 -5.09 117.16 115.92 1pqr n TYR 6 Ca 0.29 -0.58 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1pqr n TYR 6 Cb 1.06 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 1pqr n TYR 6 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1pqr n ASN 8 N -1.47 0.00 -0.03 7.72 0.23 -1.26 -3.12 115.26 117.33 1pqr n ASN 8 Ca -0.03 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.87 1pqr n ASN 8 Cb 0.15 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.74 1pqr n ASN 8 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pqr h ALA 9 N 0.00 0.05 -2.24 -2.53 0.00 -2.00 -3.39 119.26 109.16 1pqr h ALA 9 Ca 0.00 -0.43 -0.59 0.00 0.00 0.00 0.00 54.91 53.89 1pqr h ALA 9 Cb 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.37 1pqr h ALA 9 CO 0.00 0.06 -0.62 0.00 0.00 0.00 0.00 179.25 178.69 1pqr n ALA 10 N -2.50 4.36 -2.57 0.00 0.00 -1.18 -5.05 120.51 113.56 1pqr n ALA 10 Ca -0.09 -4.74 -0.43 0.00 0.00 0.00 0.00 53.44 48.18 1pqr n ALA 10 Cb 0.46 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 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 7.92 0.00 0.00 0.00 8.25 -1.01 -4.89 115.22 125.49 1pqr n HIS 12 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1pqr n HIS 12 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 0.00 -0.79 3.56 0.00 0.00 -1.26 -4.99 105.19 101.71 1pqr n GLY 15 Ca 0.00 -0.22 -0.52 0.00 0.00 0.00 0.00 46.02 45.28 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 1.97 0.29 -3.58 0.00 4.76 -1.26 -4.87 118.16 115.47 1pqr n LYS 17 Ca 0.18 0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.46 1pqr n LYS 17 Cb 0.19 -1.61 -0.13 0.00 -1.84 0.00 0.00 35.03 31.63 1pqr n LYS 17 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1pqr s VAL 18 N -3.19 -0.34 0.00 -0.18 -7.23 -1.26 -5.02 120.40 103.17 1pqr s VAL 18 Ca 0.04 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 1pqr s VAL 18 Cb 0.14 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.55 1pqr s VAL 18 CO 0.79 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 176.15 1pqr n GLY 19 N 5.33 -1.55 0.00 2.32 0.00 -1.26 -5.06 105.19 104.97 1pqr n GLY 19 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1pqr n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqr n ARG 20 N -0.26 0.00 0.00 1.61 3.00 -1.26 -4.94 116.66 114.81 1pqr n ARG 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1pqr n ARG 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1pqr n ARG 20 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 1pqr n TYR 23 N 0.00 0.00 0.09 -1.55 4.11 -1.26 -4.64 117.16 113.91 1pqr n TYR 23 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 58.00 1pqr n TYR 23 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 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 0.23 0.03 0.00 3.58 -1.96 -3.44 116.42 114.85 1pqr h ASP 25 Ca -0.03 -0.48 -0.08 0.00 0.42 0.00 0.00 57.03 56.86 1pqr h ASP 25 Cb 1.09 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 42.07 1pqr h ASP 25 CO 0.01 1.43 -0.33 0.03 -2.88 0.00 0.00 179.24 177.50 1pqr h ARG 26 N 0.04 0.17 0.00 0.28 3.08 -1.96 -3.50 114.38 112.49 1pqr h ARG 26 Ca -0.34 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.49 1pqr h ARG 26 Cb 2.02 0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.14 1pqr h ARG 26 CO 0.09 1.01 0.00 0.45 -1.07 0.00 0.00 179.97 180.45 1pqr n SER 28 N -4.44 -1.39 0.00 7.04 2.88 -1.23 -4.96 113.62 111.52 1pqr n SER 28 Ca -0.11 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1pqr n SER 28 Cb 0.57 1.54 0.00 0.00 -0.75 0.00 0.00 64.21 65.57 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 -1.43 -1.99 0.00 0.46 0.00 -1.26 -5.03 105.19 95.94 1pqr n GLY 29 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93