#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fak s PRO 2 N 0.00 0.11 0.09 0.00 0.02 -1.26 -4.97 135.00 129.00 1fak s PRO 2 Ca 0.00 0.53 -0.24 0.00 0.02 0.00 0.00 61.00 61.31 1fak s PRO 2 Cb 0.00 -1.70 -0.14 0.00 0.02 0.00 0.00 34.50 32.68 1fak s PRO 2 CO 0.00 -2.95 1.72 -0.44 -0.33 0.00 0.00 177.00 175.00 1fak h ASP 3 N -2.05 -0.12 -1.72 2.53 3.32 -2.04 -2.84 116.42 113.50 1fak h ASP 3 Ca -0.56 0.01 0.53 0.00 0.02 0.00 0.00 57.03 57.03 1fak h ASP 3 Cb 1.34 0.04 -0.11 0.00 0.22 0.00 0.00 39.33 40.82 1fak h ASP 3 CO 0.57 -0.08 1.19 2.19 -1.72 0.00 0.00 179.24 181.39 1fak h PHE 4 N -0.12 0.22 -0.03 4.55 -5.15 -1.98 0.38 116.94 114.81 1fak h PHE 4 Ca -0.00 0.01 0.01 0.00 -0.20 0.00 0.00 57.97 57.79 1fak h PHE 4 Cb 0.11 -0.05 -0.00 0.00 0.22 0.00 0.00 35.95 36.22 1fak h PHE 4 CO -0.09 -0.13 0.24 0.00 -2.00 0.00 0.00 178.31 176.33 1fak h LEU 6 N 0.00 0.00 -9.60 0.00 3.38 -0.45 -3.41 115.31 105.22 1fak h LEU 6 Ca 0.01 -0.06 -0.53 0.00 0.09 0.00 0.00 57.88 57.40 1fak h LEU 6 Cb 0.49 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.28 1fak h LEU 6 CO -0.00 0.03 0.82 -0.70 0.09 0.00 0.00 178.44 178.68 1fak s GLU 7 N -3.27 4.26 0.81 1.13 2.56 0.73 -4.91 118.70 120.00 1fak s GLU 7 Ca 0.03 2.26 -0.13 0.00 0.00 0.00 0.00 54.97 57.13 1fak s GLU 7 Cb 0.10 -3.18 0.07 0.00 2.00 0.00 0.00 34.13 33.12 1fak s GLU 7 CO 0.74 -0.53 1.08 -0.35 -0.56 0.00 0.00 175.26 175.65 1fak n PRO 8 N 3.77 0.15 -1.71 4.30 -0.04 -1.26 -4.87 135.00 135.34 1fak n PRO 8 Ca 0.12 0.12 -0.38 0.00 -0.04 0.00 0.00 63.50 63.33 1fak n PRO 8 Cb 0.40 -2.34 0.06 0.00 -0.04 0.00 0.00 33.50 31.58 1fak n PRO 8 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1fak n PRO 9 N -2.94 1.25 -3.95 0.54 -0.04 -1.26 -4.94 135.00 123.65 1fak n PRO 9 Ca 0.13 0.48 -0.31 0.00 -0.04 0.00 0.00 63.50 63.76 1fak n PRO 9 Cb 0.51 -2.47 -0.15 0.00 -0.04 0.00 0.00 33.50 31.34 1fak n PRO 9 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1fak s TYR 10 N -1.38 2.68 -0.11 0.54 5.04 -1.26 -4.98 117.35 117.89 1fak s TYR 10 Ca 0.78 -2.03 0.15 0.00 -2.44 0.00 0.00 57.07 53.53 1fak s TYR 10 Cb -0.40 -1.85 -0.08 0.00 0.35 0.00 0.00 41.96 39.98 1fak s TYR 10 CO 0.44 -0.83 1.07 0.38 -1.34 0.00 0.00 175.55 175.28 1fak h ASP 11 N 7.89 0.00 -3.94 4.32 3.04 -1.94 -3.42 116.42 122.36 1fak h ASP 11 Ca -0.16 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.66 1fak h ASP 11 Cb 1.05 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.34 1fak h ASP 11 CO 0.44 0.62 -0.03 0.61 -2.04 0.00 0.00 179.24 178.83 1fak n GLY 12 N 1.34 -2.23 0.01 7.15 0.00 -1.26 0.11 105.19 110.31 1fak n GLY 12 Ca -0.05 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.59 1fak n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fak n PRO 13 N -1.13 0.04 -2.37 1.61 -0.04 -1.26 -4.62 135.00 127.24 1fak n PRO 13 Ca 0.00 0.02 -0.36 0.00 -0.04 0.00 0.00 63.50 63.12 1fak n PRO 13 Cb 0.04 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 1fak n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fak n ARG 15 N -0.61 2.91 -3.72 0.00 1.74 -1.24 -4.19 116.66 111.55 1fak n ARG 15 Ca 0.08 -3.72 -0.20 0.00 -0.77 0.00 0.00 57.85 53.24 1fak n ARG 15 Cb 0.50 -2.14 -0.02 0.00 -1.02 0.00 0.00 32.46 29.77 1fak n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fak s ALA 16 N -3.55 4.02 -0.74 7.54 0.00 -0.71 -5.06 121.76 123.25 1fak s ALA 16 Ca 0.52 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 1fak s ALA 16 Cb 0.43 -1.53 0.19 0.00 0.00 0.00 0.00 23.12 22.20 1fak s ALA 16 CO 0.01 0.06 0.58 -0.51 0.00 0.00 0.00 175.76 175.91 1fak s LEU 17 N -4.06 5.36 -0.37 0.00 1.43 -1.26 -4.13 118.68 115.66 1fak s LEU 17 Ca 0.41 -3.26 -0.15 0.00 -1.03 0.00 0.00 54.13 50.10 1fak s LEU 17 Cb -0.08 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 1fak s LEU 17 CO 0.29 -0.28 0.33 -1.00 0.23 0.00 0.00 176.35 175.92 1fak s HIS 18 N -0.65 3.21 -0.33 0.29 3.76 -0.12 -4.91 115.29 116.54 1fak s HIS 18 Ca 0.22 -0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.62 1fak s HIS 18 Cb -0.14 -2.64 -0.00 0.00 1.11 0.00 0.00 32.58 30.90 1fak s HIS 18 CO -0.08 -0.48 1.46 -1.17 -0.85 0.00 0.00 174.74 173.62 1fak s LEU 19 N 1.90 3.72 0.45 0.89 2.96 -1.26 0.17 118.68 127.51 1fak s LEU 19 Ca 0.09 1.14 0.03 0.00 -0.22 0.00 0.00 54.13 55.17 1fak s LEU 19 Cb -0.17 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1fak s LEU 19 CO 0.11 -1.33 0.03 -0.13 -1.32 0.00 0.00 176.35 173.72 1fak s ARG 20 N 4.74 2.03 0.12 1.98 1.81 0.52 -4.92 118.95 125.23 1fak s ARG 20 Ca 0.64 -2.24 0.07 0.00 -1.72 0.00 0.00 55.73 52.48 1fak s ARG 20 Cb -0.18 -1.33 -0.04 0.00 -0.45 0.00 0.00 34.95 32.95 1fak s ARG 20 CO 0.29 -0.28 -0.08 0.71 -0.68 0.00 0.00 175.30 175.26 1fak s TYR 21 N -2.93 2.76 0.06 -0.53 1.51 0.50 -1.81 117.35 116.90 1fak s TYR 21 Ca 0.19 -0.15 -0.09 0.00 -1.01 0.00 0.00 57.07 56.01 1fak s TYR 21 Cb 0.05 -1.42 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1fak s TYR 21 CO 0.10 0.45 0.19 -0.59 -1.11 0.00 0.00 175.55 174.59 1fak s PHE 22 N -1.32 0.10 -0.25 2.71 -0.71 0.18 0.81 117.98 119.51 1fak s PHE 22 Ca 0.23 -0.40 -0.12 0.00 -1.04 0.00 0.00 56.93 55.60 1fak s PHE 22 Cb -0.11 -0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.61 1fak s PHE 22 CO 0.15 -0.47 0.22 -0.47 -1.34 0.00 0.00 175.22 173.31 1fak s TYR 23 N -3.06 3.29 -0.58 3.49 5.04 -1.26 0.19 117.35 124.46 1fak s TYR 23 Ca -0.01 0.27 -0.20 0.00 -2.44 0.00 0.00 57.07 54.69 1fak s TYR 23 Cb 0.01 -2.37 0.09 0.00 0.35 0.00 0.00 41.96 40.04 1fak s TYR 23 CO -0.07 -0.04 0.73 1.21 -1.34 0.00 0.00 175.55 176.04 1fak s ASN 24 N 1.31 6.20 0.03 4.32 3.04 0.42 -4.81 114.94 125.45 1fak s ASN 24 Ca 0.10 -1.21 -0.27 0.00 0.04 0.00 0.00 52.86 51.52 1fak s ASN 24 Cb -0.15 -2.32 -0.17 0.00 -1.54 0.00 0.00 41.25 37.08 1fak s ASN 24 CO 0.07 -1.11 1.39 0.00 -3.04 0.00 0.00 177.10 174.42 1fak h ALA 25 N 9.20 -0.46 -0.92 1.71 0.00 -1.79 5.02 119.26 132.01 1fak h ALA 25 Ca -0.29 -0.16 0.31 0.00 0.00 0.00 0.00 54.91 54.77 1fak h ALA 25 Cb 1.09 0.18 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 1fak h ALA 25 CO 1.08 -0.65 0.21 1.63 0.00 0.00 0.00 179.25 181.52 1fak n LYS 26 N -5.20 -0.07 0.05 0.00 4.76 -1.26 0.43 118.16 116.87 1fak n LYS 26 Ca -0.10 1.34 0.05 0.00 -2.87 0.00 0.00 58.31 56.73 1fak n LYS 26 Cb 0.25 -2.23 -0.06 0.00 -1.84 0.00 0.00 35.03 31.15 1fak n LYS 26 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fak n ALA 27 N -2.85 2.25 -3.61 7.82 0.00 -1.06 -4.98 120.51 118.08 1fak n ALA 27 Ca 0.27 -0.44 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1fak n ALA 27 Cb 0.90 -0.97 0.05 0.00 0.00 0.00 0.00 19.45 19.44 1fak n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fak n GLY 28 N 1.31 -0.33 3.52 0.00 0.00 1.59 -4.97 105.19 106.31 1fak n GLY 28 Ca -0.06 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1fak n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1fak s LEU 29 N -6.60 -0.45 0.25 0.99 0.05 0.20 -4.98 118.68 108.14 1fak s LEU 29 Ca 0.05 0.27 -0.22 0.00 0.05 0.00 0.00 54.13 54.28 1fak s LEU 29 Cb -0.02 2.14 -0.09 0.00 -2.05 0.00 0.00 46.19 46.17 1fak s LEU 29 CO 0.78 -0.57 0.80 0.00 -0.55 0.00 0.00 176.35 176.81 1fak s GLN 31 N -1.89 1.61 0.19 0.00 -2.07 0.51 -4.85 119.66 113.15 1fak s GLN 31 Ca 0.44 -1.36 0.05 0.00 -1.82 0.00 0.00 55.36 52.67 1fak s GLN 31 Cb -0.18 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.16 1fak s GLN 31 CO 0.22 -0.66 0.24 0.95 -1.32 0.00 0.00 175.29 174.72 1fak s THR 32 N -3.82 4.89 0.31 3.63 -4.23 -1.26 0.52 115.64 115.68 1fak s THR 32 Ca 0.24 -1.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.67 1fak s THR 32 Cb -0.00 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.28 1fak s THR 32 CO 0.11 -0.19 0.52 0.72 -0.54 0.00 0.00 174.62 175.23 1fak s PHE 33 N -1.87 0.65 -0.25 3.99 -0.71 -0.75 -4.95 117.98 114.09 1fak s PHE 33 Ca 0.33 -1.00 -0.05 0.00 -1.04 0.00 0.00 56.93 55.17 1fak s PHE 33 Cb -0.10 0.15 -0.00 0.00 -1.21 0.00 0.00 43.02 41.86 1fak s PHE 33 CO 0.26 -1.14 0.01 0.71 -1.34 0.00 0.00 175.22 173.73 1fak s TYR 34 N -3.33 3.05 0.16 3.49 2.02 -1.26 -0.36 117.35 121.11 1fak s TYR 34 Ca 0.25 -0.89 -0.19 0.00 -0.37 0.00 0.00 57.07 55.87 1fak s TYR 34 Cb -0.01 -2.17 -0.07 0.00 -0.40 0.00 0.00 41.96 39.30 1fak s TYR 34 CO 0.14 -0.53 0.65 -0.47 -1.57 0.00 0.00 175.55 173.77 1fak s TYR 35 N 1.50 3.72 0.20 2.71 5.04 0.46 -4.65 117.35 126.32 1fak s TYR 35 Ca 0.05 1.31 0.16 0.00 -2.44 0.00 0.00 57.07 56.15 1fak s TYR 35 Cb -0.15 -2.54 0.58 0.00 0.35 0.00 0.00 41.96 40.20 1fak s TYR 35 CO -0.00 0.45 1.70 0.78 -1.34 0.00 0.00 175.55 177.14 1fak h GLY 36 N 3.88 0.00 0.00 8.97 0.00 0.58 -0.30 103.07 116.19 1fak h GLY 36 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1fak h GLY 36 CO 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1fak n GLY 37 N 0.22 1.59 3.57 4.60 0.00 -1.26 -1.74 105.19 112.17 1fak n GLY 37 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1fak n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fak n LEU 39 N 1.27 -1.58 -4.71 0.00 4.32 -1.26 -4.21 117.00 110.83 1fak n LEU 39 Ca -0.15 -0.02 -0.41 0.00 -0.02 0.00 0.00 56.01 55.41 1fak n LEU 39 Cb 0.57 -1.93 0.00 0.00 -1.62 0.00 0.00 43.42 40.44 1fak n LEU 39 CO 0.16 -0.12 0.93 0.00 -1.22 0.00 0.00 177.39 177.14 1fak n ALA 40 N -1.62 1.48 -1.99 -1.18 0.00 -1.26 -4.81 120.51 111.12 1fak n ALA 40 Ca -0.14 0.31 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 1fak n ALA 40 Cb 0.61 -2.29 0.10 0.00 0.00 0.00 0.00 19.45 17.87 1fak n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1fak s LYS 41 N -2.08 1.75 0.34 0.00 1.02 -1.26 -5.01 119.74 114.50 1fak s LYS 41 Ca 0.58 -1.13 0.14 0.00 0.02 0.00 0.00 55.97 55.57 1fak s LYS 41 Cb -0.52 -2.36 0.62 0.00 -0.52 0.00 0.00 37.83 35.05 1fak s LYS 41 CO 0.60 -1.38 1.75 0.00 -0.92 0.00 0.00 175.35 175.40 1fak h ARG 42 N -0.46 0.00 -4.49 1.68 2.47 -1.94 -3.32 114.38 108.32 1fak h ARG 42 Ca -0.36 0.00 -0.72 0.00 -1.26 0.00 0.00 59.98 57.64 1fak h ARG 42 Cb 1.27 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.49 1fak h ARG 42 CO 0.41 0.45 2.33 -1.71 0.56 0.00 0.00 179.97 182.00 1fak n ASN 43 N -3.87 4.67 -3.39 7.04 5.15 -1.26 -4.75 115.26 118.85 1fak n ASN 43 Ca -0.01 -2.95 0.02 0.00 -0.60 0.00 0.00 54.58 51.03 1fak n ASN 43 Cb 0.49 -1.62 -0.03 0.00 -0.53 0.00 0.00 39.78 38.09 1fak n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1fak s ASN 44 N 2.84 -0.99 0.19 1.20 3.84 -1.25 -4.60 114.94 116.18 1fak s ASN 44 Ca 0.46 1.04 0.08 0.00 0.21 0.00 0.00 52.86 54.65 1fak s ASN 44 Cb 0.07 2.00 -0.05 0.00 -0.55 0.00 0.00 41.25 42.72 1fak s ASN 44 CO -0.01 -0.19 -0.15 -0.36 -2.79 0.00 0.00 177.10 173.61 1fak s PHE 45 N 2.78 1.68 0.27 0.43 0.40 0.24 -4.92 117.98 118.86 1fak s PHE 45 Ca 0.03 -0.57 0.17 0.00 -0.60 0.00 0.00 56.93 55.96 1fak s PHE 45 Cb -0.11 -0.80 0.76 0.00 0.51 0.00 0.00 43.02 43.38 1fak s PHE 45 CO -0.18 0.33 1.79 0.93 0.70 0.00 0.00 175.22 178.79 1fak h GLU 46 N 2.71 0.00 -2.33 0.44 3.07 -1.92 1.45 114.58 118.00 1fak h GLU 46 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1fak h GLU 46 Cb 1.22 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.96 1fak h GLU 46 CO 0.60 0.37 0.30 -1.54 -1.40 0.00 0.00 179.01 177.34 1fak s SER 47 N -6.57 -0.54 0.17 1.42 1.04 -1.26 -4.80 113.70 103.17 1fak s SER 47 Ca -0.01 0.31 -0.22 0.00 0.48 0.00 0.00 55.95 56.51 1fak s SER 47 Cb 0.12 0.50 0.09 0.00 0.10 0.00 0.00 66.02 66.83 1fak s SER 47 CO 0.69 -0.70 1.60 0.00 0.98 0.00 0.00 173.24 175.81 1fak h ALA 48 N 2.43 -0.11 -0.56 5.32 0.00 -1.96 -2.16 119.26 122.21 1fak h ALA 48 Ca -0.27 0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1fak h ALA 48 Cb 1.22 0.71 -0.11 0.00 0.00 0.00 0.00 17.79 19.61 1fak h ALA 48 CO 0.36 -0.69 -0.30 1.49 0.00 0.00 0.00 179.25 180.10 1fak h GLU 49 N -0.21 -0.15 0.00 0.00 4.57 -1.97 3.01 114.58 119.83 1fak h GLU 49 Ca 0.20 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1fak h GLU 49 Cb 0.54 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1fak h GLU 49 CO -0.58 -0.10 -0.20 0.22 -1.18 0.00 0.00 179.01 177.17 1fak h ASP 50 N -0.15 0.00 -0.00 1.04 1.82 -1.90 0.17 116.42 117.40 1fak h ASP 50 Ca 0.23 -0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.77 1fak h ASP 50 Cb 0.54 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.55 1fak h ASP 50 CO -0.65 0.01 -0.32 0.00 -1.61 0.00 0.00 179.24 176.67 1fak h MET 52 N -0.42 1.09 0.24 0.00 2.86 0.55 0.78 114.93 120.02 1fak h MET 52 Ca -0.04 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1fak h MET 52 Cb 1.07 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1fak h MET 52 CO 0.06 1.03 -0.25 -0.09 1.06 0.00 0.00 176.91 178.72 1fak h ARG 53 N 1.01 -0.51 -0.30 1.72 2.43 -0.59 -3.21 114.38 114.91 1fak h ARG 53 Ca 0.19 0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.25 1fak h ARG 53 Cb 0.51 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1fak h ARG 53 CO 0.02 -0.34 -0.41 1.15 -1.51 0.00 0.00 179.97 178.88 1fak h THR 54 N -0.53 1.29 0.00 0.20 2.02 -0.23 -3.49 112.91 112.17 1fak h THR 54 Ca -0.00 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1fak h THR 54 Cb 0.50 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1fak h THR 54 CO -0.07 0.51 0.00 0.00 0.37 0.00 0.00 175.52 176.34