#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 -0.09 -0.14 0.05 0.00 0.00 -1.21 -4.85 105.19 98.95 1pqr n GLY 4 Ca 0.00 -2.23 0.05 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 1.07 0.00 1.61 -0.04 -1.26 -1.79 135.00 134.59 1pqr n PRO 5 Ca 0.00 -0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1pqr n PRO 5 Cb 0.00 -1.17 0.12 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.55 0.00 0.02 0.54 4.01 -1.26 -4.99 117.16 114.92 1pqr n TYR 6 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1pqr n TYR 6 Cb 0.06 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 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 -1.47 0.21 0.00 7.72 4.13 -1.26 -5.10 115.26 119.49 1pqr n ASN 8 Ca 0.05 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1pqr n ASN 8 Cb 0.33 -0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.53 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 -3.05 0.00 0.52 5.41 0.00 -1.26 -4.35 120.51 117.78 1pqr n ALA 9 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1pqr n ALA 9 Cb 0.30 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.20 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 -1.32 1.95 -2.38 0.00 0.00 -1.26 -4.90 120.51 112.61 1pqr n ALA 10 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 1pqr n ALA 10 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 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 8.67 0.00 0.00 0.00 8.25 -0.74 -4.73 115.22 126.67 1pqr n HIS 12 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 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 h GLY 15 N 0.00 0.07 -1.27 0.00 0.00 -1.95 -3.48 103.07 96.44 1pqr h GLY 15 Ca 0.00 -0.12 -0.51 0.00 0.00 0.00 0.00 47.33 46.70 1pqr h GLY 15 CO 0.00 0.11 0.29 0.00 0.00 0.00 0.00 176.54 176.94 1pqr n LYS 17 N -3.67 0.00 -3.45 0.00 5.02 -1.26 -4.91 118.16 109.89 1pqr n LYS 17 Ca 0.09 0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 56.29 1pqr n LYS 17 Cb 0.53 -0.76 -0.06 0.00 -0.02 0.00 0.00 35.03 34.72 1pqr n LYS 17 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1pqr s VAL 18 N -0.75 5.14 0.00 -0.18 -7.23 -1.26 -4.81 120.40 111.32 1pqr s VAL 18 Ca 0.00 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 1pqr s VAL 18 Cb 0.00 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.21 1pqr s VAL 18 CO 0.00 0.46 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 1pqr n GLY 19 N 2.62 -0.01 0.00 2.32 0.00 -1.26 -4.92 105.19 103.94 1pqr n GLY 19 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.28 0.00 0.00 1.61 0.00 -1.26 -4.76 116.66 111.97 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 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.48 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 0.11 2.89 0.18 -1.26 -4.54 117.16 114.54 1pqr n TYR 23 Ca 0.00 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.81 1pqr n TYR 23 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 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 0.34 0.36 0.00 -0.00 -1.98 -3.45 116.42 111.69 1pqr h ASP 25 Ca -0.05 -0.71 -0.10 0.00 -0.00 0.00 0.00 57.03 56.17 1pqr h ASP 25 Cb 1.38 -0.11 -0.01 0.00 -0.00 0.00 0.00 39.33 40.59 1pqr h ASP 25 CO 0.05 1.63 -0.45 0.03 -0.00 0.00 0.00 179.24 180.50 1pqr h ARG 26 N 0.06 0.11 0.00 0.28 2.47 -1.97 -3.54 114.38 111.80 1pqr h ARG 26 Ca -0.37 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1pqr h ARG 26 Cb 2.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.35 1pqr h ARG 26 CO 0.10 0.54 0.00 0.43 0.56 0.00 0.00 179.97 181.60 1pqr n SER 28 N -4.00 -1.69 -4.37 7.04 7.64 -1.26 -4.87 113.62 112.12 1pqr n SER 28 Ca -0.02 0.37 -0.45 0.00 1.01 0.00 0.00 58.87 59.78 1pqr n SER 28 Cb 0.49 1.85 -0.04 0.00 -1.01 0.00 0.00 64.21 65.50 1pqr n SER 28 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1pqr s GLY 29 N -1.53 1.90 0.00 0.23 0.00 -1.26 -5.16 107.32 101.50 1pqr s GLY 29 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 44.72 42.32 1pqr s GLY 29 CO 0.00 1.55 0.00 0.61 0.00 0.00 0.00 173.10 175.26