#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhm s LYS 2 N 0.00 3.47 0.54 0.03 -0.14 -1.26 -4.88 119.74 117.50 1fhm s LYS 2 Ca 0.00 -0.55 -0.16 0.00 -1.36 0.00 0.00 55.97 53.89 1fhm s LYS 2 Cb 0.00 -2.81 -0.06 0.00 -1.68 0.00 0.00 37.83 33.28 1fhm s LYS 2 CO 0.00 0.34 1.02 0.15 -0.76 0.00 0.00 175.35 176.09 1fhm s LYS 3 N -3.96 3.69 0.04 1.68 1.02 -1.26 -4.57 119.74 116.38 1fhm s LYS 3 Ca 0.37 1.07 0.05 0.00 0.02 0.00 0.00 55.97 57.48 1fhm s LYS 3 Cb -0.10 -2.09 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 1fhm s LYS 3 CO 0.31 -0.49 -0.15 0.71 -0.92 0.00 0.00 175.35 174.81 1fhm s TYR 4 N -2.53 1.31 0.08 3.18 1.51 -0.61 -0.88 117.35 119.41 1fhm s TYR 4 Ca 0.61 -0.35 0.10 0.00 -1.01 0.00 0.00 57.07 56.41 1fhm s TYR 4 Cb -0.13 -0.78 -0.03 0.00 -0.11 0.00 0.00 41.96 40.91 1fhm s TYR 4 CO 0.33 0.04 -0.26 0.95 -1.11 0.00 0.00 175.55 175.51 1fhm s THR 5 N -0.84 2.11 -0.10 -0.71 -4.23 -0.09 0.43 115.64 112.21 1fhm s THR 5 Ca 0.02 -1.50 -0.30 0.00 -1.18 0.00 0.00 61.69 58.74 1fhm s THR 5 Cb -0.08 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 1fhm s THR 5 CO 0.01 0.24 1.39 0.00 -0.54 0.00 0.00 174.62 175.73 1fhm n THR 7 N 5.26 0.00 -0.03 0.00 -2.24 -0.02 -0.31 114.28 116.95 1fhm n THR 7 Ca 0.15 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.64 1fhm n THR 7 Cb 0.44 -0.17 -0.13 0.00 -2.10 0.00 0.00 70.33 68.37 1fhm n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1fhm n VAL 8 N -0.82 1.69 0.05 2.28 0.31 -1.26 -4.72 118.33 115.87 1fhm n VAL 8 Ca 0.18 -0.43 0.01 0.00 -0.01 0.00 0.00 64.34 64.09 1fhm n VAL 8 Cb 0.23 -1.85 -0.01 0.00 -0.91 0.00 0.00 33.84 31.31 1fhm n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fhm n GLY 10 N 1.49 0.40 3.54 0.00 0.00 0.58 -5.03 105.19 106.18 1fhm n GLY 10 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1fhm n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1fhm n TYR 11 N -2.00 0.52 -3.88 1.61 9.36 -1.26 -4.54 117.16 116.97 1fhm n TYR 11 Ca 0.00 0.60 -0.36 0.00 3.32 0.00 0.00 57.90 61.47 1fhm n TYR 11 Cb 0.00 -2.13 -0.14 0.00 -0.63 0.00 0.00 39.34 36.44 1fhm n TYR 11 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 1fhm s ILE 12 N -1.32 3.32 -0.30 2.97 -0.00 -1.26 0.78 121.20 125.39 1fhm s ILE 12 Ca 0.63 -0.90 -0.27 0.00 -0.00 0.00 0.00 60.65 60.11 1fhm s ILE 12 Cb -0.60 -2.71 0.01 0.00 -0.00 0.00 0.00 42.46 39.16 1fhm s ILE 12 CO 0.57 0.14 0.95 -0.47 -0.00 0.00 0.00 174.94 176.14 1fhm s TYR 13 N 1.39 3.20 -0.30 1.37 5.04 0.17 -4.95 117.35 123.27 1fhm s TYR 13 Ca 0.01 1.08 -0.07 0.00 -2.44 0.00 0.00 57.07 55.65 1fhm s TYR 13 Cb -0.17 -3.43 0.01 0.00 0.35 0.00 0.00 41.96 38.72 1fhm s TYR 13 CO -0.02 -0.64 0.08 1.21 -1.34 0.00 0.00 175.55 174.85 1fhm s ASN 14 N 1.57 5.14 0.51 4.32 3.04 -1.26 -1.57 114.94 126.69 1fhm s ASN 14 Ca 0.40 -0.78 0.19 0.00 0.04 0.00 0.00 52.86 52.72 1fhm s ASN 14 Cb -0.13 -1.88 1.32 0.00 -1.54 0.00 0.00 41.25 39.02 1fhm s ASN 14 CO 0.13 -0.21 2.12 1.55 -3.04 0.00 0.00 177.10 177.65 1fhm h PRO 15 N 8.23 0.00 0.00 0.43 0.13 -1.81 0.30 132.00 139.28 1fhm h PRO 15 Ca -0.30 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.77 1fhm h PRO 15 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1fhm h PRO 15 CO 0.60 0.06 -0.26 0.93 -0.23 0.00 0.00 178.00 179.11 1fhm h GLU 16 N 0.00 0.00 0.00 0.86 5.08 -1.94 0.95 114.58 119.54 1fhm h GLU 16 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1fhm h GLU 16 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1fhm h GLU 16 CO 0.01 0.26 -1.75 -0.25 -1.00 0.00 0.00 179.01 176.27 1fhm n ASP 17 N -4.18 0.37 0.00 1.42 8.00 -0.52 -4.15 116.55 117.49 1fhm n ASP 17 Ca -0.02 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1fhm n ASP 17 Cb 0.31 1.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.47 1fhm n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fhm n GLY 18 N 1.38 0.89 2.29 0.44 0.00 -0.02 -3.98 105.19 106.18 1fhm n GLY 18 Ca -0.11 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1fhm n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fhm n ASP 19 N -3.21 -0.22 0.25 1.61 2.03 0.57 -4.70 116.55 112.88 1fhm n ASP 19 Ca 0.00 -2.88 0.09 0.00 0.52 0.00 0.00 54.79 52.52 1fhm n ASP 19 Cb 0.00 -0.19 0.67 0.00 -0.72 0.00 0.00 41.12 40.87 1fhm n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1fhm h PRO 20 N 3.76 0.00 0.00 -0.67 0.13 -1.46 -0.93 132.00 132.84 1fhm h PRO 20 Ca 0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1fhm h PRO 20 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1fhm h PRO 20 CO 0.44 0.00 -0.09 -0.44 -0.23 0.00 0.00 178.00 177.68 1fhm h ASP 21 N 0.00 0.00 -0.35 1.44 3.32 -1.96 -1.09 116.42 117.79 1fhm h ASP 21 Ca 0.01 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1fhm h ASP 21 Cb 0.06 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 1fhm h ASP 21 CO -0.00 0.09 0.01 0.59 -1.72 0.00 0.00 179.24 178.21 1fhm n ASN 22 N -3.53 3.28 0.00 6.45 3.02 -0.44 -4.98 115.26 119.06 1fhm n ASN 22 Ca -0.02 -3.38 0.00 0.00 -0.03 0.00 0.00 54.58 51.15 1fhm n ASN 22 Cb 0.22 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1fhm n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fhm n GLY 23 N -0.81 0.58 3.23 7.41 0.00 -0.41 -5.02 105.19 110.17 1fhm n GLY 23 Ca 0.29 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1fhm n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fhm s VAL 24 N -2.00 3.26 0.55 1.61 1.01 -0.70 -4.95 120.40 119.17 1fhm s VAL 24 Ca 0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 1fhm s VAL 24 Cb 0.00 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 1fhm s VAL 24 CO 0.00 0.00 1.02 0.20 0.00 0.00 0.00 175.10 176.33 1fhm s ASN 25 N 1.34 6.21 0.17 3.32 -0.87 -1.26 -0.31 114.94 123.54 1fhm s ASN 25 Ca -0.02 1.73 -0.32 0.00 -1.57 0.00 0.00 52.86 52.68 1fhm s ASN 25 Cb -0.18 -2.53 -0.17 0.00 -0.02 0.00 0.00 41.25 38.35 1fhm s ASN 25 CO -0.01 -0.87 0.90 -2.65 -2.57 0.00 0.00 177.10 171.90 1fhm n PRO 26 N -1.69 0.57 -0.40 -0.60 -0.02 -1.26 -1.85 135.00 129.76 1fhm n PRO 26 Ca 0.08 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1fhm n PRO 26 Cb 0.53 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1fhm n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fhm n GLY 27 N 1.80 0.72 3.69 -1.23 0.00 0.33 -4.88 105.19 105.61 1fhm n GLY 27 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1fhm n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fhm s THR 28 N -2.67 5.15 0.40 2.61 -4.23 -0.77 -4.99 115.64 111.14 1fhm s THR 28 Ca 0.00 0.95 -0.27 0.00 -1.18 0.00 0.00 61.69 61.19 1fhm s THR 28 Cb 0.00 -3.83 -0.10 0.00 1.34 0.00 0.00 72.50 69.91 1fhm s THR 28 CO 0.00 0.26 1.39 -0.67 -0.54 0.00 0.00 174.62 175.06 1fhm n ASP 29 N 4.20 3.23 -0.31 3.99 4.64 -1.26 -4.59 116.55 126.45 1fhm n ASP 29 Ca -0.06 1.17 0.14 0.00 -1.38 0.00 0.00 54.79 54.66 1fhm n ASP 29 Cb 0.51 -1.57 0.38 0.00 -1.04 0.00 0.00 41.12 39.41 1fhm n ASP 29 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 1fhm h PHE 30 N 2.51 0.87 -0.84 -0.67 3.57 -1.96 -1.71 116.94 118.71 1fhm h PHE 30 Ca -0.49 0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.25 1fhm h PHE 30 Cb 1.27 -0.27 -0.14 0.00 2.79 0.00 0.00 35.95 39.61 1fhm h PHE 30 CO 0.50 0.24 0.19 -0.22 -2.23 0.00 0.00 178.31 176.79 1fhm h LYS 31 N 0.66 0.20 -0.00 1.11 3.64 -1.98 -1.71 116.57 118.49 1fhm h LYS 31 Ca 0.52 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1fhm h LYS 31 Cb 0.93 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1fhm h LYS 31 CO -0.28 0.13 -0.12 -0.25 -2.27 0.00 0.00 179.45 176.67 1fhm n ASP 32 N -5.24 0.45 -4.74 4.20 8.00 -0.65 -4.86 116.55 113.70 1fhm n ASP 32 Ca 0.19 -0.52 -0.41 0.00 0.71 0.00 0.00 54.79 54.76 1fhm n ASP 32 Cb 0.61 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 1fhm n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1fhm s ILE 33 N -2.51 3.02 0.19 0.53 1.01 -0.64 -4.91 121.20 117.88 1fhm s ILE 33 Ca 0.28 0.87 -0.32 0.00 0.00 0.00 0.00 60.65 61.48 1fhm s ILE 33 Cb 0.20 -3.55 -0.16 0.00 0.01 0.00 0.00 42.46 38.96 1fhm s ILE 33 CO 0.48 0.14 1.05 -2.65 0.00 0.00 0.00 174.94 173.97 1fhm n PRO 34 N 2.31 1.01 0.00 2.79 -0.02 -1.26 -4.81 135.00 135.01 1fhm n PRO 34 Ca 0.05 0.36 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 1fhm n PRO 34 Cb 0.42 -1.77 0.65 0.00 -0.02 0.00 0.00 33.50 32.78 1fhm n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1fhm n ASP 35 N 1.82 0.00 -0.76 2.55 8.00 -1.26 -1.14 116.55 125.77 1fhm n ASP 35 Ca 0.14 -0.69 0.13 0.00 0.71 0.00 0.00 54.79 55.08 1fhm n ASP 35 Cb 0.25 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.58 1fhm n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1fhm n ASP 36 N -1.00 2.42 -4.76 -2.24 3.85 -1.26 -4.77 116.55 108.79 1fhm n ASP 36 Ca 0.17 -1.78 -0.39 0.00 -0.71 0.00 0.00 54.79 52.07 1fhm n ASP 36 Cb 0.08 0.04 0.02 0.00 -1.35 0.00 0.00 41.12 39.91 1fhm n ASP 36 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 1fhm s TRP 37 N -2.06 2.49 0.22 2.11 -0.00 -0.29 -5.01 118.94 116.41 1fhm s TRP 37 Ca 0.30 1.31 0.09 0.00 -0.00 0.00 0.00 56.10 57.80 1fhm s TRP 37 Cb 0.20 -3.84 -0.05 0.00 -0.00 0.00 0.00 33.47 29.78 1fhm s TRP 37 CO 0.34 -2.76 -0.15 0.14 -0.00 0.00 0.00 176.95 174.52 1fhm s VAL 38 N -1.24 1.88 0.02 5.86 -7.23 -1.26 -3.66 120.40 114.77 1fhm s VAL 38 Ca 0.62 -2.25 -0.34 0.00 -1.81 0.00 0.00 61.98 58.21 1fhm s VAL 38 Cb -0.42 -2.12 -0.12 0.00 0.56 0.00 0.00 36.38 34.28 1fhm s VAL 38 CO 0.53 -0.54 1.77 0.00 -0.31 0.00 0.00 175.10 176.55 1fhm n PRO 40 N 5.41 0.17 -0.09 0.00 -0.04 -1.26 -0.78 135.00 138.40 1fhm n PRO 40 Ca 0.20 0.54 -0.17 0.00 -0.04 0.00 0.00 63.50 64.03 1fhm n PRO 40 Cb 0.30 -1.92 -0.08 0.00 -0.04 0.00 0.00 33.50 31.77 1fhm n PRO 40 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fhm n LEU 41 N -2.25 2.18 -0.11 1.53 4.77 -1.26 -4.76 117.00 117.11 1fhm n LEU 41 Ca 0.00 0.07 0.04 0.00 -0.03 0.00 0.00 56.01 56.09 1fhm n LEU 41 Cb 0.13 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.59 1fhm n LEU 41 CO 0.14 0.61 0.12 0.00 -1.33 0.00 0.00 177.39 176.93 1fhm n GLY 43 N 0.95 0.79 3.86 0.00 0.00 0.04 -4.96 105.19 105.86 1fhm n GLY 43 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1fhm n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fhm s VAL 44 N -2.96 2.97 0.87 1.61 -7.23 -1.26 -4.45 120.40 109.95 1fhm s VAL 44 Ca 0.00 0.32 -0.12 0.00 -1.81 0.00 0.00 61.98 60.36 1fhm s VAL 44 Cb 0.00 -3.23 0.11 0.00 0.56 0.00 0.00 36.38 33.82 1fhm s VAL 44 CO 0.00 -0.41 1.16 -0.83 -0.31 0.00 0.00 175.10 174.71 1fhm s GLY 45 N -4.26 1.59 0.47 2.32 0.00 -1.26 -0.01 107.32 106.16 1fhm s GLY 45 Ca 0.60 -0.60 0.16 0.00 0.00 0.00 0.00 44.72 44.88 1fhm s GLY 45 CO 0.52 -0.07 2.02 0.50 0.00 0.00 0.00 173.10 176.07 1fhm h LYS 46 N -1.30 0.25 0.00 2.90 1.57 -1.86 -2.30 116.57 115.83 1fhm h LYS 46 Ca -0.48 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1fhm h LYS 46 Cb 1.33 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1fhm h LYS 46 CO 0.63 0.17 0.00 -0.40 -0.57 0.00 0.00 179.45 179.28 1fhm n ASP 47 N -4.46 0.00 -1.01 0.86 5.68 -1.26 -0.92 116.55 115.43 1fhm n ASP 47 Ca 0.07 0.34 0.12 0.00 -0.50 0.00 0.00 54.79 54.82 1fhm n ASP 47 Cb 0.35 -0.36 0.21 0.00 -1.14 0.00 0.00 41.12 40.18 1fhm n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1fhm n GLN 48 N -1.36 2.35 -3.73 0.11 1.13 -0.86 -4.96 117.38 110.05 1fhm n GLN 48 Ca 0.01 -2.01 -0.31 0.00 -1.94 0.00 0.00 57.00 52.74 1fhm n GLN 48 Cb 0.02 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 28.84 1fhm n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1fhm s PHE 49 N -1.69 3.48 0.02 1.08 0.40 -0.10 -0.84 117.98 120.34 1fhm s PHE 49 Ca 0.35 0.48 0.00 0.00 -0.60 0.00 0.00 56.93 57.17 1fhm s PHE 49 Cb 0.21 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 1fhm s PHE 49 CO 0.31 0.47 -0.03 -1.83 0.70 0.00 0.00 175.22 174.84 1fhm s GLU 50 N -2.63 0.29 0.25 0.44 -1.05 0.25 -4.91 118.70 111.35 1fhm s GLU 50 Ca 0.40 -0.55 -0.31 0.00 -0.15 0.00 0.00 54.97 54.36 1fhm s GLU 50 Cb -0.12 0.06 -0.11 0.00 -0.44 0.00 0.00 34.13 33.52 1fhm s GLU 50 CO 0.25 -0.04 1.60 -2.00 0.95 0.00 0.00 175.26 176.03 1fhm s GLU 51 N -1.29 4.15 -0.54 -4.83 2.12 -1.26 -0.92 118.70 116.14 1fhm s GLU 51 Ca -0.14 2.52 -0.25 0.00 0.36 0.00 0.00 54.97 57.47 1fhm s GLU 51 Cb -0.09 -3.06 0.04 0.00 0.26 0.00 0.00 34.13 31.28 1fhm s GLU 51 CO -0.01 -0.63 0.96 0.08 -0.54 0.00 0.00 175.26 175.12 1fhm s VAL 52 N 0.44 4.37 0.00 3.70 1.01 -0.06 -4.84 120.40 125.02 1fhm s VAL 52 Ca 0.67 0.43 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1fhm s VAL 52 Cb -0.47 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.37 1fhm s VAL 52 CO 0.41 -1.09 0.00 -0.62 0.00 0.00 0.00 175.10 173.81