#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 -0.00 -3.30 1.97 0.24 -1.26 -4.89 118.33 111.08 3aiy n VAL 2 Ca 0.00 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3aiy n VAL 2 Cb 0.00 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 30.89 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 12.22 0.83 0.00 -1.34 5.03 -1.26 -4.31 115.26 126.44 3aiy n ASN 3 Ca 0.52 -0.89 0.00 0.00 0.87 0.00 0.00 54.58 55.08 3aiy n ASN 3 Cb 0.24 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.00 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 -0.52 0.00 0.28 3.52 7.27 -1.26 -3.15 117.38 123.52 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 0.88 0.00 2.41 0.00 0.00 30.24 33.53 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 0.22 115.15 119.86 3aiy h HIS 5 Ca 0.00 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 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 -1.41 -0.11 -1.30 0.00 0.00 177.93 175.11 3aiy n LEU 6 N -3.19 0.00 -0.02 0.26 7.94 -1.19 -4.59 117.00 116.22 3aiy n LEU 6 Ca -0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.73 3aiy n LEU 6 Cb 0.35 0.09 -0.13 0.00 0.53 0.00 0.00 43.42 44.25 3aiy n LEU 6 CO 0.19 0.09 0.27 0.00 -1.11 0.00 0.00 177.39 176.82 3aiy h GLY 8 N -0.72 1.44 0.52 0.00 0.00 -0.87 -0.36 103.07 103.07 3aiy h GLY 8 Ca -0.05 -0.33 0.18 0.00 0.00 0.00 0.00 47.33 47.13 3aiy h GLY 8 CO 0.06 0.04 0.56 1.48 0.00 0.00 0.00 176.54 178.68 3aiy h SER 9 N 0.74 0.00 0.00 0.19 4.64 -1.74 -0.09 113.55 117.28 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 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3aiy h SER 9 CO -0.27 0.00 -1.74 1.41 -0.87 0.00 0.00 176.83 175.36 3aiy n HIS 10 N -3.91 0.00 -0.07 4.77 8.25 -0.18 -4.00 115.22 120.08 3aiy n HIS 10 Ca 0.12 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.49 3aiy n HIS 10 Cb 0.80 -0.38 0.06 0.00 1.12 0.00 0.00 29.99 31.59 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 0.79 -1.05 2.41 3.38 -0.64 -2.71 115.31 117.49 3aiy h LEU 11 Ca 0.00 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 3aiy h LEU 11 Cb 0.82 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3aiy h LEU 11 CO 0.00 1.06 -0.11 -0.37 0.09 0.00 0.00 178.44 179.11 3aiy h VAL 12 N 0.63 1.23 -0.78 1.22 -1.51 -1.56 -1.05 116.25 114.45 3aiy h VAL 12 Ca 0.07 -1.03 0.06 0.00 -1.23 0.00 0.00 66.70 64.57 3aiy h VAL 12 Cb 0.87 1.11 -0.06 0.00 -2.13 0.00 0.00 31.29 31.08 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 0.51 0.81 0.00 5.19 5.08 -1.61 -1.15 114.58 123.41 3aiy h GLU 13 Ca 0.09 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 3aiy h GLU 13 Cb 0.50 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3aiy h GLU 13 CO 0.03 0.54 -0.89 0.00 -1.00 0.00 0.00 179.01 177.69 3aiy h ALA 14 N 1.39 0.49 0.39 3.43 0.00 -1.45 -3.00 119.26 120.51 3aiy h ALA 14 Ca 0.35 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3aiy h ALA 14 Cb 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3aiy h ALA 14 CO -0.18 1.11 -0.24 -0.07 0.00 0.00 0.00 179.25 179.86 3aiy h LEU 15 N 0.00 -0.61 -0.28 0.00 3.38 0.03 -0.98 115.31 116.85 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 1.61 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.54 3aiy h LEU 15 CO 0.12 -0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.27 3aiy n TYR 16 N -3.81 0.28 -0.01 1.13 4.11 -0.86 -1.52 117.16 116.48 3aiy n TYR 16 Ca -0.07 0.11 -0.18 0.00 -0.00 0.00 0.00 57.90 57.76 3aiy n TYR 16 Cb 0.25 -0.68 -0.08 0.00 -0.00 0.00 0.00 39.34 38.82 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 0.94 -0.41 -3.48 5.85 -1.28 0.39 115.31 117.31 3aiy h LEU 17 Ca 0.00 -0.66 -0.18 0.00 0.84 0.00 0.00 57.88 57.88 3aiy h LEU 17 Cb 0.25 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3aiy h LEU 17 CO 0.00 1.45 -0.72 0.58 -0.34 0.00 0.00 178.44 179.41 3aiy h VAL 18 N 0.49 1.38 0.00 1.05 2.07 -0.34 -3.01 116.25 117.89 3aiy h VAL 18 Ca -0.07 -2.12 -0.14 0.00 0.82 0.00 0.00 66.70 65.18 3aiy h VAL 18 Cb 1.48 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 3aiy h VAL 18 CO 0.17 0.64 -0.69 0.00 0.02 0.00 0.00 177.57 177.71 3aiy n GLY 20 N 0.78 1.64 0.12 0.00 0.00 0.14 -2.70 105.19 105.16 3aiy n GLY 20 Ca -0.00 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -7.10 1.61 5.08 -1.93 -3.45 114.58 108.80 3aiy h GLU 21 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 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 0.16 -0.05 1.03 -1.00 0.00 0.00 179.01 179.14 3aiy s ARG 22 N -3.15 -1.88 0.27 2.33 0.52 -1.10 -5.05 118.95 110.89 3aiy s ARG 22 Ca -0.00 0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.72 3aiy s ARG 22 Cb 0.09 -1.47 0.00 0.00 0.52 0.00 0.00 34.95 34.09 3aiy s ARG 22 CO 0.78 -4.28 0.03 0.41 0.02 0.00 0.00 175.30 172.27 3aiy n GLY 23 N 1.06 3.71 3.44 -3.53 0.00 -1.26 -4.90 105.19 103.71 3aiy n GLY 23 Ca 0.07 -2.29 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.86 -0.54 -0.22 1.61 -0.71 -1.26 -5.02 117.98 109.98 3aiy s PHE 24 Ca 0.03 0.40 -0.07 0.00 -1.04 0.00 0.00 56.93 56.24 3aiy s PHE 24 Cb -0.00 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 3aiy s PHE 24 CO 0.02 -0.81 0.06 -0.59 -1.34 0.00 0.00 175.22 172.57 3aiy s PHE 25 N -3.46 3.13 -0.26 3.49 -0.71 -1.26 -5.07 117.98 113.84 3aiy s PHE 25 Ca 0.00 -0.23 -0.03 0.00 -1.04 0.00 0.00 56.93 55.63 3aiy s PHE 25 Cb -0.01 -2.17 0.02 0.00 -1.21 0.00 0.00 43.02 39.65 3aiy s PHE 25 CO -0.11 -0.16 -0.02 -0.47 -1.34 0.00 0.00 175.22 173.13 3aiy s TYR 26 N 1.14 3.08 -0.37 3.49 5.04 -1.26 -5.06 117.35 123.41 3aiy s TYR 26 Ca 0.04 -1.32 0.03 0.00 -2.44 0.00 0.00 57.07 53.38 3aiy s TYR 26 Cb -0.14 -2.12 0.11 0.00 0.35 0.00 0.00 41.96 40.15 3aiy s TYR 26 CO 0.03 -0.66 0.12 0.95 -1.34 0.00 0.00 175.55 174.65 3aiy s THR 27 N 1.39 1.90 -1.59 4.34 -4.23 -1.26 -5.00 115.64 111.18 3aiy s THR 27 Ca 0.01 -2.31 -0.10 0.00 -1.18 0.00 0.00 61.69 58.12 3aiy s THR 27 Cb -0.17 -2.38 -0.09 0.00 1.34 0.00 0.00 72.50 71.21 3aiy s THR 27 CO -0.02 -0.68 2.91 -0.81 -0.54 0.00 0.00 174.62 175.48 3aiy n PRO 28 N 4.12 3.62 -3.29 3.99 -0.04 -1.26 -4.72 135.00 137.42 3aiy n PRO 28 Ca 0.03 -2.18 -0.06 0.00 -0.04 0.00 0.00 63.50 61.25 3aiy n PRO 28 Cb 0.39 -2.80 -0.06 0.00 -0.04 0.00 0.00 33.50 31.00 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 2.25 0.42 0.00 0.54 2.20 -1.26 -5.04 119.74 118.84 3aiy s LYS 29 Ca 0.68 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 3aiy s LYS 29 Cb 0.18 -0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 3aiy s LYS 29 CO -0.06 -0.78 0.39 2.41 -0.36 0.00 0.00 175.35 176.95