#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 -0.06 -0.36 2.49 0.00 0.00 -1.19 -4.89 105.19 101.18 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 -0.07 3.56 -2.27 1.61 -0.04 -1.26 -2.00 135.00 134.53 1pqr n PRO 5 Ca 0.00 -2.56 -0.02 0.00 -0.04 0.00 0.00 63.50 60.88 1pqr n PRO 5 Cb 0.00 -2.93 -0.01 0.00 -0.04 0.00 0.00 33.50 30.52 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 4.11 -0.07 0.00 0.54 4.01 -1.26 -5.07 117.16 119.41 1pqr n TYR 6 Ca 0.67 -0.33 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 1pqr n TYR 6 Cb 0.29 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 1pqr n TYR 6 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1pqr n ASN 8 N -2.67 0.00 0.00 7.72 2.85 -1.26 -4.75 115.26 117.15 1pqr n ASN 8 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1pqr n ASN 8 Cb 0.07 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.09 1pqr n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pqr n ALA 9 N 0.00 0.00 1.06 5.20 0.00 -1.26 -4.85 120.51 120.66 1pqr n ALA 9 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1pqr n ALA 9 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 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 2.49 -2.34 0.00 0.00 -1.26 -4.96 120.51 111.44 1pqr n ALA 10 Ca 0.00 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.46 1pqr n ALA 10 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 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 10.68 0.00 0.00 0.00 8.25 -0.85 -4.36 115.22 128.94 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 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 -1.23 3.69 0.00 0.00 -1.26 -5.00 105.19 101.38 1pqr n GLY 15 Ca 0.00 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1pqr n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqr h LYS 17 N -1.45 0.00 -3.71 0.00 1.57 -1.97 -3.47 116.57 107.54 1pqr h LYS 17 Ca -0.44 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 57.96 1pqr h LYS 17 Cb 1.28 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.24 1pqr h LYS 17 CO 0.44 0.96 -0.75 0.54 -0.57 0.00 0.00 179.45 180.07 1pqr s VAL 18 N -2.29 0.23 0.00 0.50 0.11 -1.26 -5.04 120.40 112.65 1pqr s VAL 18 Ca -0.24 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1pqr s VAL 18 Cb 0.02 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 1pqr s VAL 18 CO 0.61 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 173.17 1pqr n GLY 19 N 4.44 0.48 0.00 6.54 0.00 -1.26 -4.91 105.19 110.47 1pqr n GLY 19 Ca -0.20 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.00 0.00 1.61 3.00 -1.26 -4.81 116.66 115.20 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 1.09 -1.55 4.11 -1.26 -4.36 117.16 115.19 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 0.27 0.00 -0.00 0.00 0.00 39.34 39.61 1pqr n TYR 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pqr n ASP 25 N -1.16 1.57 0.16 0.00 -0.08 -1.26 -5.06 116.55 110.72 1pqr n ASP 25 Ca 0.08 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.25 1pqr n ASP 25 Cb 0.34 0.03 -0.06 0.00 2.34 0.00 0.00 41.12 43.77 1pqr n ASP 25 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1pqr h ARG 26 N 0.00 -0.46 0.00 -0.67 9.65 -1.85 -3.50 114.38 117.55 1pqr h ARG 26 Ca 0.00 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1pqr h ARG 26 Cb 0.38 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1pqr h ARG 26 CO 0.00 -0.16 0.00 -1.13 2.80 0.00 0.00 179.97 181.48 1pqr n SER 28 N -5.11 -3.34 0.00 -3.80 3.41 -1.26 -4.45 113.62 99.06 1pqr n SER 28 Ca -0.08 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1pqr n SER 28 Cb 0.26 3.20 0.00 0.00 -0.26 0.00 0.00 64.21 67.41 1pqr n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pqr n GLY 29 N -1.46 -1.88 0.00 5.00 0.00 -1.26 -5.20 105.19 100.39 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