#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 0.10 -0.59 2.62 0.00 0.00 -1.20 -4.88 105.19 101.24 1pqr n GLY 4 Ca 0.00 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.38 1pqr n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pqr n PRO 5 N -0.31 2.96 0.00 1.61 -0.04 -1.26 -2.01 135.00 135.94 1pqr n PRO 5 Ca 0.00 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.13 1pqr n PRO 5 Cb 0.00 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 30.42 1pqr n PRO 5 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pqr n TYR 6 N 5.28 0.00 0.00 0.54 4.01 -1.26 -5.06 117.16 120.68 1pqr n TYR 6 Ca 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.34 1pqr n TYR 6 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 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 0.00 0.00 7.72 4.13 -1.26 -4.78 115.26 121.07 1pqr n ASN 8 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1pqr n ASN 8 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1pqr n ASN 8 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pqr n ALA 9 N 0.00 0.00 -1.92 5.41 0.00 -1.26 -4.82 120.51 117.92 1pqr n ALA 9 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1pqr n ALA 9 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1pqr n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pqr n ALA 10 N -3.00 5.91 -3.02 0.00 0.00 -1.26 -5.02 120.51 114.13 1pqr n ALA 10 Ca 0.00 -3.96 -0.44 0.00 0.00 0.00 0.00 53.44 49.04 1pqr n ALA 10 Cb 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 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 6.63 0.00 -0.29 0.00 8.25 -0.85 -4.25 115.22 124.71 1pqr n HIS 12 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1pqr n HIS 12 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1pqr n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pqr h GLY 15 N 3.03 0.40 -1.94 0.00 0.00 -1.96 -3.45 103.07 99.14 1pqr h GLY 15 Ca 0.00 -0.57 -0.50 0.00 0.00 0.00 0.00 47.33 46.26 1pqr h GLY 15 CO 0.00 0.51 0.41 0.00 0.00 0.00 0.00 176.54 177.46 1pqr n LYS 17 N -1.69 2.35 -3.61 0.00 5.02 -1.26 -4.88 118.16 114.09 1pqr n LYS 17 Ca 0.11 -2.02 -0.10 0.00 -2.02 0.00 0.00 58.31 54.27 1pqr n LYS 17 Cb 0.51 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 1pqr n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pqr s VAL 18 N -1.67 -0.56 0.00 -0.18 0.11 -1.26 -5.01 120.40 111.83 1pqr s VAL 18 Ca 0.35 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.57 1pqr s VAL 18 Cb 0.21 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 1pqr s VAL 18 CO 0.31 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.74 1pqr n GLY 19 N 5.37 -0.76 0.00 6.54 0.00 -1.26 -5.08 105.19 110.00 1pqr n GLY 19 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.48 0.00 0.00 1.61 0.00 -1.26 -4.90 116.66 111.63 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 0.10 2.89 0.18 -1.26 -4.73 117.16 114.33 1pqr n TYR 23 Ca 0.00 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.77 1pqr n TYR 23 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 1pqr n TYR 23 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1pqr h ASP 25 N 0.00 0.00 -0.22 0.00 -0.00 -1.99 -3.46 116.42 110.76 1pqr h ASP 25 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 56.95 1pqr h ASP 25 Cb 1.53 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.85 1pqr h ASP 25 CO 0.08 0.85 -0.02 -0.09 -0.00 0.00 0.00 179.24 180.06 1pqr h ARG 26 N 0.00 0.39 -1.10 0.28 2.43 -1.98 -3.55 114.38 110.85 1pqr h ARG 26 Ca -0.22 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 58.76 1pqr h ARG 26 Cb 1.84 -0.03 -0.21 0.00 -0.42 0.00 0.00 29.97 31.15 1pqr h ARG 26 CO 0.07 0.60 -0.45 -1.54 -1.51 0.00 0.00 179.97 177.15 1pqr s SER 28 N -5.93 -1.29 0.00 -3.80 1.04 -1.26 -4.92 113.70 97.55 1pqr s SER 28 Ca -0.14 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1pqr s SER 28 Cb 0.07 1.85 0.00 0.00 0.10 0.00 0.00 66.02 68.04 1pqr s SER 28 CO 0.74 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.34 1pqr n GLY 29 N 4.80 -1.26 0.58 7.32 0.00 -1.26 -5.23 105.19 110.14 1pqr n GLY 29 Ca 0.08 0.98 0.14 0.00 0.00 0.00 0.00 46.02 47.22 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93