#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aiy s VAL 2 N 0.00 0.00 0.00 -2.13 0.11 -1.26 -5.06 120.40 112.06 1aiy s VAL 2 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1aiy s VAL 2 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1aiy s VAL 2 CO 0.00 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.57 1aiy n ASN 3 N 2.86 0.00 0.06 3.54 2.85 -1.26 -4.91 115.26 118.40 1aiy n ASN 3 Ca -0.15 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.25 1aiy n ASN 3 Cb 0.57 0.02 0.09 0.00 1.24 0.00 0.00 39.78 41.70 1aiy n ASN 3 CO 0.00 0.00 0.00 0.06 -2.11 0.00 0.00 177.26 175.21 1aiy h GLN 4 N 0.00 0.33 -0.12 1.20 3.07 -1.97 -0.01 115.11 117.61 1aiy h GLN 4 Ca 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 58.65 58.48 1aiy h GLN 4 Cb 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 27.48 27.59 1aiy h GLN 4 CO 0.00 0.85 -0.05 1.25 0.09 0.00 0.00 178.83 180.97 1aiy h HIS 5 N 0.24 0.28 0.00 0.06 2.76 -1.99 -1.41 115.15 115.09 1aiy h HIS 5 Ca -0.01 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.02 1aiy h HIS 5 Cb 1.15 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 1aiy h HIS 5 CO 0.03 0.57 -0.35 -0.07 -1.30 0.00 0.00 177.93 176.82 1aiy h LEU 6 N -0.10 0.00 -0.75 0.26 3.38 -1.90 -2.68 115.31 113.52 1aiy h LEU 6 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1aiy h LEU 6 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1aiy h LEU 6 CO 0.02 0.35 -0.49 0.00 0.09 0.00 0.00 178.44 178.40 1aiy h GLY 8 N 2.19 0.00 -1.96 0.00 0.00 -0.91 -2.91 103.07 99.49 1aiy h GLY 8 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aiy h GLY 8 CO 0.06 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.04 1aiy n SER 9 N -3.61 2.91 -0.00 0.19 7.64 -1.14 -3.64 113.62 115.97 1aiy n SER 9 Ca -0.01 -2.22 0.04 0.00 1.01 0.00 0.00 58.87 57.70 1aiy n SER 9 Cb 0.71 -0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 1aiy n SER 9 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1aiy n HIS 10 N 0.60 0.00 -0.07 1.43 8.25 -1.10 -4.59 115.22 119.74 1aiy n HIS 10 Ca 0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.51 1aiy n HIS 10 Cb 0.54 -0.18 -0.15 0.00 1.12 0.00 0.00 29.99 31.33 1aiy n HIS 10 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1aiy n LEU 11 N -1.75 0.65 -0.34 2.41 4.77 -1.22 -3.77 117.00 117.75 1aiy n LEU 11 Ca -0.01 0.15 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 1aiy n LEU 11 Cb 0.22 0.21 0.29 0.00 -2.33 0.00 0.00 43.42 41.80 1aiy n LEU 11 CO 0.18 0.51 1.18 -0.37 -1.33 0.00 0.00 177.39 177.56 1aiy h VAL 12 N 0.00 0.75 -0.06 4.08 -1.51 -1.81 0.33 116.25 118.03 1aiy h VAL 12 Ca -0.45 -0.27 -0.23 0.00 -1.23 0.00 0.00 66.70 64.52 1aiy h VAL 12 Cb 2.13 -0.10 0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1aiy h VAL 12 CO 0.04 0.14 -0.88 1.05 -1.23 0.00 0.00 177.57 176.69 1aiy h GLU 13 N 0.78 0.59 0.00 5.19 4.11 -1.82 -2.09 114.58 121.33 1aiy h GLU 13 Ca 0.54 -0.56 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1aiy h GLU 13 Cb 0.78 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1aiy h GLU 13 CO -0.36 1.18 0.00 0.00 0.07 0.00 0.00 179.01 179.90 1aiy n ALA 14 N -2.58 1.99 -0.13 1.06 0.00 0.04 -3.35 120.51 117.54 1aiy n ALA 14 Ca -0.08 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 1aiy n ALA 14 Cb 0.80 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 1aiy n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aiy n LEU 15 N -1.41 2.57 -0.06 0.00 4.77 0.93 -3.94 117.00 119.86 1aiy n LEU 15 Ca 0.07 0.06 0.24 0.00 -0.03 0.00 0.00 56.01 56.35 1aiy n LEU 15 Cb 0.21 -0.88 0.72 0.00 -2.33 0.00 0.00 43.42 41.14 1aiy n LEU 15 CO 0.17 0.79 1.22 0.22 -1.33 0.00 0.00 177.39 178.47 1aiy h TYR 16 N -0.40 0.00 0.13 -1.77 5.03 -1.38 -1.65 116.97 116.93 1aiy h TYR 16 Ca -0.63 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 60.68 1aiy h TYR 16 Cb 1.79 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.07 1aiy h TYR 16 CO -0.02 0.00 -0.06 -0.07 -1.32 0.00 0.00 178.16 176.69 1aiy h LEU 17 N 0.00 -0.15 -0.16 2.82 -0.00 -1.74 -1.49 115.31 114.58 1aiy h LEU 17 Ca 0.32 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 58.23 1aiy h LEU 17 Cb 1.42 0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 42.06 1aiy h LEU 17 CO -0.00 0.28 -0.42 0.58 -0.00 0.00 0.00 178.44 178.88 1aiy h VAL 18 N -0.94 0.00 -0.86 1.22 2.07 -1.56 0.29 116.25 116.47 1aiy h VAL 18 Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1aiy h VAL 18 Cb 0.13 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.84 1aiy h VAL 18 CO 0.03 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.18 1aiy n GLY 20 N -1.41 0.46 1.68 0.00 0.00 0.09 -3.39 105.19 102.61 1aiy n GLY 20 Ca 0.14 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1aiy n GLY 20 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1aiy n GLU 21 N 12.10 1.51 -0.10 1.61 2.13 -1.26 -3.97 120.64 132.66 1aiy n GLU 21 Ca 0.00 -1.04 -0.12 0.00 0.66 0.00 0.00 57.16 56.66 1aiy n GLU 21 Cb 0.00 -1.41 -0.15 0.00 0.27 0.00 0.00 31.44 30.15 1aiy n GLU 21 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1aiy n ARG 22 N 0.54 0.68 0.00 5.31 1.74 -1.22 -5.11 116.66 118.60 1aiy n ARG 22 Ca 0.20 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1aiy n ARG 22 Cb 0.63 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1aiy n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aiy n GLY 23 N 1.85 0.02 3.60 -0.13 0.00 -1.25 -5.11 105.19 104.16 1aiy n GLY 23 Ca -0.35 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 43.81 1aiy n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1aiy s PHE 24 N -1.49 -0.03 0.04 1.61 -0.71 -1.26 -4.95 117.98 111.18 1aiy s PHE 24 Ca 0.00 -0.03 0.05 0.00 -1.04 0.00 0.00 56.93 55.91 1aiy s PHE 24 Cb 0.00 0.53 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 1aiy s PHE 24 CO 0.00 -0.18 -0.14 -0.59 -1.34 0.00 0.00 175.22 172.97 1aiy s PHE 25 N -2.28 1.23 -0.15 3.49 -0.12 -1.26 -5.13 117.98 113.76 1aiy s PHE 25 Ca 0.14 -0.37 -0.00 0.00 -0.05 0.00 0.00 56.93 56.65 1aiy s PHE 25 Cb 0.05 -0.73 0.03 0.00 -0.63 0.00 0.00 43.02 41.75 1aiy s PHE 25 CO -0.05 0.04 -0.07 -0.47 -0.05 0.00 0.00 175.22 174.62 1aiy s TYR 26 N -0.90 1.71 -0.26 3.49 6.14 -1.26 -5.09 117.35 121.17 1aiy s TYR 26 Ca 0.01 -1.01 -0.03 0.00 0.64 0.00 0.00 57.07 56.68 1aiy s TYR 26 Cb -0.08 -1.33 0.10 0.00 0.42 0.00 0.00 41.96 41.07 1aiy s TYR 26 CO 0.01 -0.59 0.16 0.99 0.64 0.00 0.00 175.55 176.76 1aiy s THR 27 N 1.63 -0.16 -0.08 4.34 2.01 -1.26 -5.02 115.64 117.10 1aiy s THR 27 Ca 0.02 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 1aiy s THR 27 Cb -0.14 -0.89 -0.10 0.00 0.01 0.00 0.00 72.50 71.37 1aiy s THR 27 CO -0.08 -0.57 0.48 1.55 -0.69 0.00 0.00 174.62 175.30 1aiy h PRO 28 N 8.38 -0.15 0.00 4.92 0.13 -2.05 -3.48 132.00 139.74 1aiy h PRO 28 Ca -0.18 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1aiy h PRO 28 Cb 1.06 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1aiy h PRO 28 CO 0.38 0.17 0.00 1.17 -0.23 0.00 0.00 178.00 179.49 1aiy n LYS 29 N -4.85 0.00 0.00 0.86 4.81 -1.26 -5.35 118.16 112.37 1aiy n LYS 29 Ca -0.05 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.52 1aiy n LYS 29 Cb 0.19 0.00 0.24 0.00 0.02 0.00 0.00 35.03 35.48 1aiy n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82