#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 0.03 1.99 0.05 0.00 0.00 -0.99 -2.82 105.19 103.45 1pqr n GLY 4 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 13.12 0.05 -4.03 1.61 -0.04 -1.26 -4.89 135.00 139.57 1pqr n PRO 5 Ca 0.00 0.44 -0.31 0.00 -0.04 0.00 0.00 63.50 63.60 1pqr n PRO 5 Cb 0.00 -1.64 -0.16 0.00 -0.04 0.00 0.00 33.50 31.66 1pqr n PRO 5 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pqr s TYR 6 N -3.14 2.29 0.00 0.54 2.02 -1.13 -5.23 117.35 112.70 1pqr s TYR 6 Ca 0.02 -1.33 0.00 0.00 -0.37 0.00 0.00 57.07 55.39 1pqr s TYR 6 Cb 0.05 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.97 1pqr s TYR 6 CO 0.17 -0.70 0.00 0.09 -1.57 0.00 0.00 175.55 173.54 1pqr n ASN 8 N 4.74 0.00 0.00 2.29 4.13 -1.26 -4.39 115.26 120.77 1pqr n ASN 8 Ca -0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.09 1pqr n ASN 8 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 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 -1.51 0.00 -3.17 5.41 0.00 -1.26 -4.91 120.51 115.07 1pqr n ALA 9 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1pqr n ALA 9 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 2.67 -1.76 0.00 0.00 -1.26 -5.11 120.51 112.05 1pqr n ALA 10 Ca 0.00 -3.70 -0.38 0.00 0.00 0.00 0.00 53.44 49.36 1pqr n ALA 10 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.39 0.00 0.00 0.00 8.25 -1.26 -2.35 115.22 119.47 1pqr n HIS 12 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1pqr n HIS 12 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.89 3.86 0.00 0.00 -1.26 -4.95 105.19 101.96 1pqr n GLY 15 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.89 0.00 -3.91 0.00 5.02 -1.26 -4.94 118.16 110.19 1pqr n LYS 17 Ca 0.06 0.26 -0.35 0.00 -2.02 0.00 0.00 58.31 56.26 1pqr n LYS 17 Cb 0.55 -0.71 -0.08 0.00 -0.02 0.00 0.00 35.03 34.76 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 -0.70 5.16 0.00 -0.18 0.11 -1.26 -4.90 120.40 118.63 1pqr s VAL 18 Ca 0.00 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1pqr s VAL 18 Cb 0.00 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1pqr s VAL 18 CO 0.00 0.51 0.00 0.61 -3.33 0.00 0.00 175.10 172.89 1pqr n GLY 19 N 2.99 -1.39 0.00 6.54 0.00 -1.26 -4.92 105.19 107.16 1pqr n GLY 19 Ca -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.10 0.00 0.00 1.61 3.00 -1.26 -4.82 116.66 115.09 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 0.07 -1.55 0.18 -1.26 -4.52 117.16 110.08 1pqr n TYR 23 Ca 0.00 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.85 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 0.39 -0.08 0.00 1.82 -1.99 -3.45 116.42 113.10 1pqr h ASP 25 Ca -0.06 -0.90 -0.16 0.00 -0.39 0.00 0.00 57.03 55.52 1pqr h ASP 25 Cb 1.21 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.09 1pqr h ASP 25 CO 0.02 1.81 -0.51 -0.09 -1.61 0.00 0.00 179.24 178.86 1pqr h ARG 26 N -0.06 0.65 0.00 0.28 2.43 -1.94 -3.51 114.38 112.23 1pqr h ARG 26 Ca -0.41 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.38 1pqr h ARG 26 Cb 1.95 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 1pqr h ARG 26 CO 0.06 1.00 0.00 0.45 -1.51 0.00 0.00 179.97 179.97 1pqr n SER 28 N -3.99 -1.15 0.00 -3.80 2.88 -1.26 -4.74 113.62 101.56 1pqr n SER 28 Ca -0.03 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1pqr n SER 28 Cb 0.59 1.26 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 -0.12 -1.96 0.00 0.46 0.00 -1.26 -5.18 105.19 97.13 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