#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aiy n VAL 2 N 0.00 -0.01 -3.34 1.97 0.24 -1.26 -4.89 118.33 111.04 3aiy n VAL 2 Ca 0.00 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3aiy n VAL 2 Cb 0.00 -1.46 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 3aiy n VAL 2 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3aiy n ASN 3 N 12.18 0.84 0.00 -1.34 5.03 -1.26 -4.31 115.26 126.41 3aiy n ASN 3 Ca 0.52 -0.92 0.00 0.00 0.87 0.00 0.00 54.58 55.05 3aiy n ASN 3 Cb 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 3aiy n ASN 3 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 3aiy n GLN 4 N -0.53 0.00 0.29 3.52 7.27 -1.26 -3.16 117.38 123.50 3aiy n GLN 4 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.25 3aiy n GLN 4 Cb 0.00 0.00 0.89 0.00 2.41 0.00 0.00 30.24 33.54 3aiy n GLN 4 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3aiy h HIS 5 N 0.00 0.00 0.00 3.69 2.76 -1.96 0.20 115.15 119.84 3aiy h HIS 5 Ca 0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 3aiy h HIS 5 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 3aiy h HIS 5 CO 0.00 0.00 -1.39 -0.11 -1.30 0.00 0.00 177.93 175.13 3aiy n LEU 6 N -3.15 0.00 -0.02 0.26 7.94 -1.19 -4.60 117.00 116.24 3aiy n LEU 6 Ca -0.01 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.73 3aiy n LEU 6 Cb 0.34 0.09 -0.13 0.00 0.53 0.00 0.00 43.42 44.24 3aiy n LEU 6 CO 0.18 0.09 0.28 0.00 -1.11 0.00 0.00 177.39 176.83 3aiy h GLY 8 N -0.72 1.48 0.45 0.00 0.00 -0.91 -0.38 103.07 102.99 3aiy h GLY 8 Ca -0.05 -0.34 0.19 0.00 0.00 0.00 0.00 47.33 47.13 3aiy h GLY 8 CO 0.06 0.04 0.59 1.48 0.00 0.00 0.00 176.54 178.70 3aiy h SER 9 N 0.75 0.00 0.00 0.19 4.64 -1.75 0.16 113.55 117.55 3aiy h SER 9 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3aiy h SER 9 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3aiy h SER 9 CO -0.28 0.00 -1.72 1.41 -0.87 0.00 0.00 176.83 175.37 3aiy n HIS 10 N -3.91 0.00 -0.06 4.77 8.25 -0.19 -4.00 115.22 120.08 3aiy n HIS 10 Ca 0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.50 3aiy n HIS 10 Cb 0.83 -0.37 0.06 0.00 1.12 0.00 0.00 29.99 31.64 3aiy n HIS 10 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3aiy h LEU 11 N 0.00 0.78 -1.07 2.41 3.38 -0.60 -2.70 115.31 117.50 3aiy h LEU 11 Ca 0.00 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 3aiy h LEU 11 Cb 0.81 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3aiy h LEU 11 CO 0.00 1.05 -0.14 -0.37 0.09 0.00 0.00 178.44 179.07 3aiy h VAL 12 N 0.62 1.23 -0.77 1.22 -1.51 -1.55 -0.99 116.25 114.50 3aiy h VAL 12 Ca 0.06 -1.05 0.06 0.00 -1.23 0.00 0.00 66.70 64.54 3aiy h VAL 12 Cb 0.88 1.17 -0.06 0.00 -2.13 0.00 0.00 31.29 31.15 3aiy h VAL 12 CO 0.08 0.34 0.46 -0.33 -1.23 0.00 0.00 177.57 176.89 3aiy h GLU 13 N 0.46 0.83 0.00 5.19 5.08 -1.61 -1.20 114.58 123.32 3aiy h GLU 13 Ca 0.08 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 3aiy h GLU 13 Cb 0.51 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3aiy h GLU 13 CO 0.03 0.55 -0.87 0.00 -1.00 0.00 0.00 179.01 177.72 3aiy h ALA 14 N 1.37 0.50 0.39 3.43 0.00 -1.44 -2.99 119.26 120.52 3aiy h ALA 14 Ca 0.34 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3aiy h ALA 14 Cb 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3aiy h ALA 14 CO -0.17 1.09 -0.23 -0.07 0.00 0.00 0.00 179.25 179.86 3aiy h LEU 15 N 0.00 -0.59 -0.22 0.00 3.38 0.01 -1.01 115.31 116.89 3aiy h LEU 15 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3aiy h LEU 15 Cb 1.60 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3aiy h LEU 15 CO 0.11 -0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.28 3aiy n TYR 16 N -3.76 0.22 -0.00 1.13 4.11 -0.86 -1.52 117.16 116.47 3aiy n TYR 16 Ca -0.07 0.09 -0.18 0.00 -0.00 0.00 0.00 57.90 57.74 3aiy n TYR 16 Cb 0.24 -0.64 -0.08 0.00 -0.00 0.00 0.00 39.34 38.85 3aiy n TYR 16 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 3aiy h LEU 17 N 0.00 0.90 -0.45 -3.48 5.85 -1.28 0.37 115.31 117.22 3aiy h LEU 17 Ca 0.00 -0.67 -0.18 0.00 0.84 0.00 0.00 57.88 57.88 3aiy h LEU 17 Cb 0.24 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3aiy h LEU 17 CO 0.00 1.43 -0.70 0.58 -0.34 0.00 0.00 178.44 179.42 3aiy h VAL 18 N 0.44 1.38 0.00 1.05 2.07 -0.34 -2.99 116.25 117.86 3aiy h VAL 18 Ca -0.08 -2.10 -0.14 0.00 0.82 0.00 0.00 66.70 65.20 3aiy h VAL 18 Cb 1.47 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.30 3aiy h VAL 18 CO 0.17 0.63 -0.67 0.00 0.02 0.00 0.00 177.57 177.72 3aiy n GLY 20 N 0.82 1.61 0.12 0.00 0.00 0.13 -2.65 105.19 105.22 3aiy n GLY 20 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.02 3aiy n GLY 20 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3aiy h GLU 21 N 0.00 0.00 -7.12 1.61 5.08 -1.93 -3.45 114.58 108.78 3aiy h GLU 21 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 3aiy h GLU 21 Cb 0.00 0.00 0.21 0.00 0.50 0.00 0.00 28.75 29.46 3aiy h GLU 21 CO 0.00 0.13 -0.03 1.03 -1.00 0.00 0.00 179.01 179.14 3aiy s ARG 22 N -3.18 -1.63 0.28 2.33 0.52 -1.08 -5.05 118.95 111.13 3aiy s ARG 22 Ca -0.00 0.56 0.01 0.00 -0.52 0.00 0.00 55.73 55.77 3aiy s ARG 22 Cb 0.09 -1.49 0.01 0.00 0.52 0.00 0.00 34.95 34.07 3aiy s ARG 22 CO 0.78 -4.12 0.04 0.41 0.02 0.00 0.00 175.30 172.43 3aiy n GLY 23 N 0.90 3.66 3.42 -3.53 0.00 -1.26 -4.89 105.19 103.49 3aiy n GLY 23 Ca 0.06 -2.29 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 3aiy n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3aiy s PHE 24 N -1.87 -0.54 -0.22 1.61 -0.71 -1.26 -5.02 117.98 109.97 3aiy s PHE 24 Ca 0.03 0.35 -0.07 0.00 -1.04 0.00 0.00 56.93 56.20 3aiy s PHE 24 Cb -0.00 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 3aiy s PHE 24 CO 0.02 -0.84 0.06 -0.59 -1.34 0.00 0.00 175.22 172.53 3aiy s PHE 25 N -3.66 3.13 -0.25 3.49 -0.71 -1.26 -5.07 117.98 113.64 3aiy s PHE 25 Ca 0.01 -0.25 -0.03 0.00 -1.04 0.00 0.00 56.93 55.61 3aiy s PHE 25 Cb -0.01 -2.17 0.01 0.00 -1.21 0.00 0.00 43.02 39.64 3aiy s PHE 25 CO -0.12 -0.18 -0.02 -0.47 -1.34 0.00 0.00 175.22 173.09 3aiy s TYR 26 N 1.15 3.06 -0.37 3.49 5.04 -1.26 -5.06 117.35 123.40 3aiy s TYR 26 Ca 0.04 -1.27 0.02 0.00 -2.44 0.00 0.00 57.07 53.43 3aiy s TYR 26 Cb -0.14 -2.12 0.11 0.00 0.35 0.00 0.00 41.96 40.16 3aiy s TYR 26 CO 0.03 -0.65 0.12 0.95 -1.34 0.00 0.00 175.55 174.66 3aiy s THR 27 N 1.40 1.84 -1.60 4.34 -4.23 -1.26 -5.00 115.64 111.13 3aiy s THR 27 Ca 0.02 -2.29 -0.10 0.00 -1.18 0.00 0.00 61.69 58.14 3aiy s THR 27 Cb -0.16 -2.34 -0.09 0.00 1.34 0.00 0.00 72.50 71.25 3aiy s THR 27 CO -0.03 -0.69 2.92 -0.81 -0.54 0.00 0.00 174.62 175.47 3aiy n PRO 28 N 4.13 3.63 -3.30 3.99 -0.04 -1.26 -4.72 135.00 137.44 3aiy n PRO 28 Ca 0.03 -2.19 -0.06 0.00 -0.04 0.00 0.00 63.50 61.24 3aiy n PRO 28 Cb 0.39 -2.80 -0.06 0.00 -0.04 0.00 0.00 33.50 30.99 3aiy n PRO 28 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3aiy s LYS 29 N 2.24 0.41 0.00 0.54 2.20 -1.26 -5.04 119.74 118.83 3aiy s LYS 29 Ca 0.68 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 3aiy s LYS 29 Cb 0.18 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 3aiy s LYS 29 CO -0.06 -0.79 0.39 2.41 -0.36 0.00 0.00 175.35 176.95