#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 -0.08 0.77 0.49 0.00 0.00 -1.25 -4.96 105.19 100.16 1pqr n GLY 4 Ca 0.00 -2.13 0.28 0.00 0.00 0.00 0.00 46.02 44.17 1pqr n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pqr h PRO 5 N 8.04 0.00 0.00 1.61 0.11 -1.84 -2.18 132.00 137.74 1pqr h PRO 5 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pqr h PRO 5 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1pqr h PRO 5 CO 0.00 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.45 1pqr n TYR 6 N -3.67 0.00 0.00 0.65 4.01 -1.26 -4.77 117.16 112.12 1pqr n TYR 6 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1pqr n TYR 6 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.18 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 0.00 0.00 0.00 7.72 0.23 -1.26 -4.74 115.26 117.21 1pqr n ASN 8 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1pqr n ASN 8 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1pqr n ASN 8 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pqr n ALA 9 N 0.00 0.00 -2.39 -2.53 0.00 -1.26 -4.81 120.51 109.52 1pqr n ALA 9 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1pqr n ALA 9 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 5.81 -3.55 0.00 0.00 -1.26 -5.00 120.51 113.51 1pqr n ALA 10 Ca 0.00 -4.39 -0.41 0.00 0.00 0.00 0.00 53.44 48.64 1pqr n ALA 10 Cb 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 19.45 17.84 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 3.94 0.00 -0.23 0.00 8.25 -0.82 -4.39 115.22 121.97 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 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 3.77 0.00 -1.11 0.00 0.00 -1.94 -3.47 103.07 100.32 1pqr h GLY 15 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1pqr h GLY 15 CO 0.00 0.00 0.09 0.00 0.00 0.00 0.00 176.54 176.63 1pqr n LYS 17 N -4.64 0.00 -3.58 0.00 3.00 -1.26 -4.95 118.16 106.73 1pqr n LYS 17 Ca 0.05 0.39 -0.37 0.00 -0.00 0.00 0.00 58.31 58.38 1pqr n LYS 17 Cb 0.54 -0.90 -0.06 0.00 0.00 0.00 0.00 35.03 34.62 1pqr n LYS 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1pqr s VAL 18 N -0.80 5.12 0.00 3.15 -7.23 -1.26 -4.82 120.40 114.56 1pqr s VAL 18 Ca 0.00 0.66 0.00 0.00 -1.81 0.00 0.00 61.98 60.83 1pqr s VAL 18 Cb 0.00 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.29 1pqr s VAL 18 CO 0.00 0.53 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 1pqr n GLY 19 N 1.66 -0.52 0.00 2.32 0.00 -1.26 -5.07 105.19 102.31 1pqr n GLY 19 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.63 0.00 0.00 1.61 0.00 -1.26 -4.94 116.66 111.44 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 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.61 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 0.06 2.89 0.18 -1.26 -4.81 117.16 114.22 1pqr n TYR 23 Ca 0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 1pqr n TYR 23 Cb 0.00 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 38.83 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 0.03 0.00 0.50 0.00 1.82 -1.99 -3.46 116.42 113.32 1pqr h ASP 25 Ca -0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 1pqr h ASP 25 Cb 1.89 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.90 1pqr h ASP 25 CO 0.15 0.90 -0.24 -0.09 -1.61 0.00 0.00 179.24 178.35 1pqr h ARG 26 N 0.00 -0.65 0.00 0.28 2.43 -1.99 -3.54 114.38 110.91 1pqr h ARG 26 Ca -0.25 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1pqr h ARG 26 Cb 1.91 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 1pqr h ARG 26 CO 0.07 -0.39 0.00 -1.13 -1.51 0.00 0.00 179.97 177.02 1pqr n SER 28 N -5.23 -1.29 0.00 -3.80 3.41 -1.26 -4.82 113.62 100.62 1pqr n SER 28 Ca -0.09 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1pqr n SER 28 Cb 0.29 1.36 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 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 0.50 -1.86 0.60 5.00 0.00 -1.26 -5.23 105.19 102.94 1pqr n GLY 29 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1pqr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93