#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 -5.06 120.40 112.07 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 2.66 0.00 0.09 3.54 2.85 -1.26 -4.92 115.26 118.22 1aiy n ASN 3 Ca -0.14 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.27 1aiy n ASN 3 Cb 0.57 0.02 0.11 0.00 1.24 0.00 0.00 39.78 41.71 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 0.21 0.19 1.20 3.07 -1.97 -0.11 115.11 117.71 1aiy h GLN 4 Ca 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 58.65 58.58 1aiy h GLN 4 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.59 1aiy h GLN 4 CO 0.00 0.78 -0.09 1.25 0.09 0.00 0.00 178.83 180.85 1aiy h HIS 5 N 0.15 -0.24 0.00 0.06 2.76 -1.99 -0.91 115.15 114.98 1aiy h HIS 5 Ca -0.01 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 1aiy h HIS 5 Cb 1.15 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 1aiy h HIS 5 CO 0.02 0.12 -0.23 -0.07 -1.30 0.00 0.00 177.93 176.48 1aiy h LEU 6 N -0.67 0.00 -0.64 0.26 3.38 -1.91 -2.24 115.31 113.50 1aiy h LEU 6 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1aiy h LEU 6 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1aiy h LEU 6 CO 0.04 0.23 -0.50 0.00 0.09 0.00 0.00 178.44 178.31 1aiy h GLY 8 N 1.15 0.00 -1.95 0.00 0.00 -0.55 -2.31 103.07 99.41 1aiy h GLY 8 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1aiy h GLY 8 CO 0.09 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.07 1aiy n SER 9 N -3.84 2.90 -0.00 0.19 7.64 -1.08 -3.68 113.62 115.75 1aiy n SER 9 Ca -0.01 -2.21 0.04 0.00 1.01 0.00 0.00 58.87 57.69 1aiy n SER 9 Cb 0.46 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.62 0.00 -0.07 1.43 8.25 -0.87 -4.61 115.22 119.97 1aiy n HIS 10 Ca 0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.50 1aiy n HIS 10 Cb 0.54 -0.14 -0.15 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.64 0.86 -0.35 2.41 4.77 -1.20 -3.82 117.00 118.03 1aiy n LEU 11 Ca -0.01 0.12 0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1aiy n LEU 11 Cb 0.18 0.09 0.33 0.00 -2.33 0.00 0.00 43.42 41.69 1aiy n LEU 11 CO 0.15 0.55 1.20 -0.37 -1.33 0.00 0.00 177.39 177.60 1aiy h VAL 12 N 0.01 0.73 0.01 4.08 -1.51 -1.82 0.32 116.25 118.07 1aiy h VAL 12 Ca -0.46 -0.26 -0.23 0.00 -1.23 0.00 0.00 66.70 64.52 1aiy h VAL 12 Cb 2.12 -0.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1aiy h VAL 12 CO 0.03 0.14 -0.95 1.05 -1.23 0.00 0.00 177.57 176.61 1aiy h GLU 13 N 0.76 0.39 0.00 5.19 4.11 -1.83 -2.18 114.58 121.02 1aiy h GLU 13 Ca 0.56 -0.43 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1aiy h GLU 13 Cb 0.88 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1aiy h GLU 13 CO -0.35 1.10 0.00 0.00 0.07 0.00 0.00 179.01 179.83 1aiy n ALA 14 N -2.54 2.01 -0.12 1.06 0.00 0.26 -3.46 120.51 117.72 1aiy n ALA 14 Ca -0.07 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 1aiy n ALA 14 Cb 0.84 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.49 2.48 -0.02 0.00 4.77 0.88 -3.89 117.00 119.73 1aiy n LEU 15 Ca 0.05 0.12 0.23 0.00 -0.03 0.00 0.00 56.01 56.39 1aiy n LEU 15 Cb 0.25 -0.91 0.72 0.00 -2.33 0.00 0.00 43.42 41.16 1aiy n LEU 15 CO 0.20 0.74 1.21 0.22 -1.33 0.00 0.00 177.39 178.44 1aiy h TYR 16 N -0.43 0.00 0.10 -1.77 5.03 -1.43 -1.43 116.97 117.04 1aiy h TYR 16 Ca -0.59 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 60.72 1aiy h TYR 16 Cb 1.76 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.04 1aiy h TYR 16 CO -0.00 0.00 -0.05 -0.07 -1.32 0.00 0.00 178.16 176.72 1aiy h LEU 17 N 0.00 -0.11 -0.16 2.82 -0.00 -1.74 -1.46 115.31 114.66 1aiy h LEU 17 Ca 0.29 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 58.20 1aiy h LEU 17 Cb 1.35 0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 42.00 1aiy h LEU 17 CO -0.00 0.31 -0.32 0.58 -0.00 0.00 0.00 178.44 179.01 1aiy h VAL 18 N -0.92 0.00 -0.89 1.22 2.07 -1.53 0.82 116.25 117.02 1aiy h VAL 18 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1aiy h VAL 18 Cb 0.10 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.80 1aiy h VAL 18 CO 0.02 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.19 1aiy n GLY 20 N -1.42 0.65 1.75 0.00 0.00 0.28 -3.34 105.19 103.12 1aiy n GLY 20 Ca 0.17 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 12.23 1.55 -0.10 1.61 2.13 -1.26 -4.00 120.64 132.80 1aiy n GLU 21 Ca 0.00 -1.08 -0.13 0.00 0.66 0.00 0.00 57.16 56.61 1aiy n GLU 21 Cb 0.00 -1.42 -0.12 0.00 0.27 0.00 0.00 31.44 30.17 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 0.66 0.78 0.00 5.31 1.74 -1.21 -5.12 116.66 118.82 1aiy n ARG 22 Ca 0.21 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1aiy n ARG 22 Cb 0.57 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 2.22 0.73 3.63 -0.13 0.00 -1.26 -5.12 105.19 105.27 1aiy n GLY 23 Ca -0.36 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.83 -0.08 0.14 1.61 -0.71 -1.26 -4.95 117.98 110.90 1aiy s PHE 24 Ca 0.00 -0.04 0.07 0.00 -1.04 0.00 0.00 56.93 55.92 1aiy s PHE 24 Cb 0.00 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 1aiy s PHE 24 CO 0.00 -0.34 -0.16 -0.59 -1.34 0.00 0.00 175.22 172.79 1aiy s PHE 25 N -2.56 1.61 -0.05 3.49 -0.12 -1.26 -5.14 117.98 113.95 1aiy s PHE 25 Ca 0.13 -0.52 -0.02 0.00 -0.05 0.00 0.00 56.93 56.47 1aiy s PHE 25 Cb 0.03 -0.82 0.03 0.00 -0.63 0.00 0.00 43.02 41.63 1aiy s PHE 25 CO -0.03 0.23 0.05 -0.47 -0.05 0.00 0.00 175.22 174.94 1aiy s TYR 26 N -2.11 0.22 -0.31 3.49 6.14 -1.26 -5.10 117.35 118.43 1aiy s TYR 26 Ca 0.12 0.14 -0.02 0.00 0.64 0.00 0.00 57.07 57.95 1aiy s TYR 26 Cb -0.05 -0.57 0.12 0.00 0.42 0.00 0.00 41.96 41.88 1aiy s TYR 26 CO 0.05 -0.23 0.21 0.99 0.64 0.00 0.00 175.55 177.21 1aiy s THR 27 N 2.12 -0.14 -0.54 4.34 2.01 -1.26 -4.99 115.64 117.17 1aiy s THR 27 Ca 0.05 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1aiy s THR 27 Cb -0.12 -0.98 0.06 0.00 0.01 0.00 0.00 72.50 71.47 1aiy s THR 27 CO -0.04 -0.70 0.81 -0.81 -0.69 0.00 0.00 174.62 173.19 1aiy n PRO 28 N 4.92 1.21 -0.75 4.92 -0.04 -1.26 -4.95 135.00 139.06 1aiy n PRO 28 Ca 0.00 -0.24 -0.25 0.00 -0.04 0.00 0.00 63.50 62.97 1aiy n PRO 28 Cb 0.42 -1.35 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 1aiy n PRO 28 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1aiy n LYS 29 N 0.19 -1.02 0.00 0.54 4.81 -1.26 -5.28 118.16 116.14 1aiy n LYS 29 Ca 0.03 -0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.18 1aiy n LYS 29 Cb 0.44 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.19 1aiy n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82