#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 2.81 0.45 0.62 0.00 0.00 -1.26 -4.76 105.19 103.05 1pqr n GLY 4 Ca 0.36 -0.06 0.47 0.00 0.00 0.00 0.00 46.02 46.80 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 -0.00 -4.40 1.61 -0.02 -1.26 -4.92 135.00 126.00 1pqr n PRO 5 Ca 0.00 1.01 -0.28 0.00 -2.02 0.00 0.00 63.50 62.21 1pqr n PRO 5 Cb 0.00 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.12 1pqr n PRO 5 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1pqr s TYR 6 N -4.73 2.35 0.00 6.00 2.02 -1.26 -5.10 117.35 116.63 1pqr s TYR 6 Ca -0.05 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 1pqr s TYR 6 Cb 0.25 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 1pqr s TYR 6 CO 0.81 0.23 0.00 0.27 -1.57 0.00 0.00 175.55 175.29 1pqr n ASN 8 N -1.20 0.00 -0.02 2.29 6.94 -1.26 -3.36 115.26 118.65 1pqr n ASN 8 Ca -0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.37 1pqr n ASN 8 Cb 0.66 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.99 1pqr n ASN 8 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pqr h ALA 9 N 0.00 0.05 -2.20 -2.53 0.00 -2.01 -3.36 119.26 109.22 1pqr h ALA 9 Ca 0.00 -0.24 -0.61 0.00 0.00 0.00 0.00 54.91 54.06 1pqr h ALA 9 Cb 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.37 1pqr h ALA 9 CO 0.00 -0.19 -0.52 0.00 0.00 0.00 0.00 179.25 178.54 1pqr n ALA 10 N -2.34 4.51 -2.61 0.00 0.00 -1.21 -5.05 120.51 113.81 1pqr n ALA 10 Ca -0.08 -4.74 -0.43 0.00 0.00 0.00 0.00 53.44 48.20 1pqr n ALA 10 Cb 0.26 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 7.86 0.00 0.00 0.00 8.25 -1.26 -4.98 115.22 125.09 1pqr n HIS 12 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1pqr n HIS 12 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 1.71 3.94 0.00 0.00 -1.25 -5.00 105.19 104.58 1pqr n GLY 15 Ca 0.00 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.16 0.34 -4.82 0.00 4.81 -1.26 -4.96 118.16 110.10 1pqr n LYS 17 Ca 0.01 0.42 -0.33 0.00 -0.87 0.00 0.00 58.31 57.55 1pqr n LYS 17 Cb 0.57 -1.41 -0.13 0.00 0.02 0.00 0.00 35.03 34.08 1pqr n LYS 17 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1pqr s VAL 18 N -1.96 3.22 0.00 3.15 -7.23 -1.26 -4.95 120.40 111.37 1pqr s VAL 18 Ca -0.12 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 1pqr s VAL 18 Cb 0.02 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1pqr s VAL 18 CO 0.18 0.59 0.00 0.61 -0.31 0.00 0.00 175.10 176.17 1pqr n GLY 19 N 2.34 -0.61 0.00 2.32 0.00 -1.26 -5.17 105.19 102.81 1pqr n GLY 19 Ca -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1pqr n GLY 19 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pqr n ARG 20 N -0.13 0.00 0.00 1.61 0.00 -1.26 -4.75 116.66 112.12 1pqr n ARG 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 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 0.15 2.89 4.11 -1.26 -4.41 117.16 118.65 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 0.25 0.01 0.00 1.82 -1.98 -3.45 116.42 113.07 1pqr h ASP 25 Ca 0.00 -0.53 -0.16 0.00 -0.39 0.00 0.00 57.03 55.95 1pqr h ASP 25 Cb 0.97 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 1pqr h ASP 25 CO 0.00 1.47 -0.53 -0.09 -1.61 0.00 0.00 179.24 178.48 1pqr h ARG 26 N 0.04 0.56 -1.05 0.28 2.43 -1.95 -3.53 114.38 111.17 1pqr h ARG 26 Ca -0.34 -0.34 0.01 0.00 -0.81 0.00 0.00 59.98 58.49 1pqr h ARG 26 Cb 2.02 0.04 -0.21 0.00 -0.42 0.00 0.00 29.97 31.40 1pqr h ARG 26 CO 0.10 0.95 -0.40 -1.12 -1.51 0.00 0.00 179.97 177.99 1pqr s SER 28 N -6.91 -1.48 0.00 -3.80 0.01 -1.26 -4.86 113.70 95.40 1pqr s SER 28 Ca -0.07 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1pqr s SER 28 Cb 0.11 1.97 0.00 0.00 0.21 0.00 0.00 66.02 68.31 1pqr s SER 28 CO 0.84 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.80 1pqr n GLY 29 N 5.35 -1.94 0.00 3.44 0.00 -1.26 -5.19 105.19 105.59 1pqr n GLY 29 Ca 0.05 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93