#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3tgf s VAL 2 N 0.00 3.18 0.00 3.34 1.01 -1.26 -4.47 120.40 122.20 3tgf s VAL 2 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3tgf s VAL 2 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3tgf s VAL 2 CO 0.00 -0.47 0.00 -1.54 0.00 0.00 0.00 175.10 173.09 3tgf n SER 3 N 14.28 0.00 -4.47 3.32 3.41 -1.26 -5.08 113.62 123.82 3tgf n SER 3 Ca 0.28 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.46 3tgf n SER 3 Cb 0.53 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 3tgf n SER 3 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3tgf s HIS 4 N -0.39 2.93 -0.25 7.33 3.76 -1.26 -4.98 115.29 122.43 3tgf s HIS 4 Ca 0.00 -1.10 -0.15 0.00 -0.15 0.00 0.00 55.06 53.66 3tgf s HIS 4 Cb 0.00 -4.34 -0.04 0.00 1.11 0.00 0.00 32.58 29.31 3tgf s HIS 4 CO 0.00 -1.59 0.36 -0.59 -0.85 0.00 0.00 174.74 172.07 3tgf s PHE 5 N 3.34 3.29 0.48 1.40 -0.12 -1.25 -0.54 117.98 124.57 3tgf s PHE 5 Ca 0.32 0.45 0.05 0.00 -0.05 0.00 0.00 56.93 57.70 3tgf s PHE 5 Cb -0.07 -2.53 -0.02 0.00 -0.63 0.00 0.00 43.02 39.77 3tgf s PHE 5 CO -0.05 -0.14 0.20 0.54 -0.05 0.00 0.00 175.22 175.72 3tgf s ASN 6 N 1.42 4.40 -0.53 1.98 2.20 -0.59 -4.81 114.94 119.00 3tgf s ASN 6 Ca 0.15 -1.29 -0.27 0.00 -0.94 0.00 0.00 52.86 50.52 3tgf s ASN 6 Cb -0.15 0.05 -0.02 0.00 -2.00 0.00 0.00 41.25 39.13 3tgf s ASN 6 CO 0.09 -0.79 1.81 1.51 -2.94 0.00 0.00 177.10 176.77 3tgf s ASP 7 N -4.01 5.50 -0.27 3.54 -4.77 -1.26 0.03 116.67 115.43 3tgf s ASP 7 Ca 0.30 0.60 -0.40 0.00 -3.30 0.00 0.00 52.55 49.75 3tgf s ASP 7 Cb 0.02 -2.53 -0.15 0.00 -1.09 0.00 0.00 42.92 39.16 3tgf s ASP 7 CO 0.17 -2.14 1.76 0.00 0.70 0.00 0.00 175.17 175.65 3tgf s PRO 9 N 3.61 2.86 -0.50 0.00 0.04 -1.26 -4.94 135.00 134.81 3tgf s PRO 9 Ca 0.98 0.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.01 3tgf s PRO 9 Cb -1.05 -4.46 0.12 0.00 0.04 0.00 0.00 34.50 29.14 3tgf s PRO 9 CO 0.65 -2.59 0.43 -0.51 0.04 0.00 0.00 177.00 175.02 3tgf s ASP 10 N 6.52 6.01 0.00 6.66 1.11 -1.26 -4.69 116.67 131.01 3tgf s ASP 10 Ca 0.56 -1.75 0.00 0.00 0.18 0.00 0.00 52.55 51.54 3tgf s ASP 10 Cb -0.10 -2.13 0.00 0.00 1.07 0.00 0.00 42.92 41.76 3tgf s ASP 10 CO 0.14 -0.77 0.00 -1.54 1.18 0.00 0.00 175.17 174.19 3tgf n SER 11 N 5.12 0.00 -0.34 0.27 3.41 -1.26 -4.71 113.62 116.12 3tgf n SER 11 Ca -0.12 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.53 3tgf n SER 11 Cb 0.41 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.55 3tgf n SER 11 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3tgf h HIS 12 N 0.00 1.06 0.00 7.33 -0.00 -2.05 -2.60 115.15 118.89 3tgf h HIS 12 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3tgf h HIS 12 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.07 3tgf h HIS 12 CO 0.00 0.47 0.00 0.25 -0.00 0.00 0.00 177.93 178.65 3tgf n THR 13 N -4.62 0.96 -1.60 6.12 -2.24 -1.26 -4.71 114.28 106.92 3tgf n THR 13 Ca 0.16 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 3tgf n THR 13 Cb 0.27 -1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 67.44 3tgf n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3tgf n GLN 14 N 1.07 2.50 -0.14 -0.78 6.02 -0.98 -4.46 117.38 120.61 3tgf n GLN 14 Ca 0.00 -2.42 -0.10 0.00 -0.01 0.00 0.00 57.00 54.47 3tgf n GLN 14 Cb 0.34 -3.20 -0.01 0.00 1.02 0.00 0.00 30.24 28.39 3tgf n GLN 14 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3tgf h PHE 15 N 6.55 0.72 -3.78 1.08 3.04 -1.89 -3.47 116.94 119.19 3tgf h PHE 15 Ca 0.53 -0.11 -0.57 0.00 3.98 0.00 0.00 57.97 61.80 3tgf h PHE 15 Cb 0.66 -0.19 -0.21 0.00 2.56 0.00 0.00 35.95 38.76 3tgf h PHE 15 CO 1.40 0.72 -0.82 0.00 -2.02 0.00 0.00 178.31 177.59 3tgf n PHE 17 N 0.89 0.00 -1.94 0.00 3.72 -0.22 -4.80 117.46 115.12 3tgf n PHE 17 Ca -0.18 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.85 3tgf n PHE 17 Cb 0.54 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.09 3tgf n PHE 17 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3tgf n HIS 18 N -1.89 2.56 -3.68 1.38 8.25 0.64 -4.79 115.22 117.70 3tgf n HIS 18 Ca 0.00 -2.30 -0.28 0.00 -0.26 0.00 0.00 57.72 54.87 3tgf n HIS 18 Cb 0.00 -1.29 -0.16 0.00 1.12 0.00 0.00 29.99 29.66 3tgf n HIS 18 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3tgf s GLY 19 N -0.64 0.72 -0.87 -1.41 0.00 -1.26 -1.54 107.32 102.31 3tgf s GLY 19 Ca 0.52 -0.99 -0.25 0.00 0.00 0.00 0.00 44.72 44.00 3tgf s GLY 19 CO -0.30 1.64 1.87 -0.51 0.00 0.00 0.00 173.10 175.81 3tgf s THR 20 N 1.87 3.49 0.02 0.90 -4.23 0.52 -4.76 115.64 113.45 3tgf s THR 20 Ca 0.04 -0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 60.14 3tgf s THR 20 Cb -0.17 -4.12 -0.05 0.00 1.34 0.00 0.00 72.50 69.50 3tgf s THR 20 CO -0.19 -1.06 0.33 0.00 -0.54 0.00 0.00 174.62 173.16 3tgf s ARG 22 N -1.61 2.92 -0.82 0.00 3.00 0.95 -1.16 118.95 122.23 3tgf s ARG 22 Ca 0.27 -1.35 -0.26 0.00 0.00 0.00 0.00 55.73 54.40 3tgf s ARG 22 Cb -0.14 -4.06 0.04 0.00 0.00 0.00 0.00 34.95 30.79 3tgf s ARG 22 CO 0.15 -1.00 1.32 0.12 0.00 0.00 0.00 175.30 175.89 3tgf s PHE 23 N 1.61 2.38 -0.81 -0.53 2.19 0.10 -0.84 117.98 122.09 3tgf s PHE 23 Ca 0.04 -0.32 -0.25 0.00 0.33 0.00 0.00 56.93 56.72 3tgf s PHE 23 Cb -0.24 -4.64 -0.04 0.00 -1.31 0.00 0.00 43.02 36.80 3tgf s PHE 23 CO 0.06 -2.02 1.91 -0.51 1.83 0.00 0.00 175.22 176.49 3tgf s LEU 24 N 5.42 3.21 0.18 6.12 1.43 0.49 -1.55 118.68 133.99 3tgf s LEU 24 Ca 0.38 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.95 3tgf s LEU 24 Cb -0.06 -2.55 0.13 0.00 0.03 0.00 0.00 46.19 43.75 3tgf s LEU 24 CO 0.07 -2.60 1.62 0.58 0.23 0.00 0.00 176.35 176.25 3tgf h VAL 25 N 7.12 0.34 0.00 -1.59 2.07 -1.12 -0.38 116.25 122.70 3tgf h VAL 25 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3tgf h VAL 25 Cb 1.06 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3tgf h VAL 25 CO 1.22 0.00 0.00 1.56 0.02 0.00 0.00 177.57 180.37 3tgf h GLN 26 N -0.12 0.00 0.00 1.57 7.50 -1.82 -0.08 115.11 122.16 3tgf h GLN 26 Ca 0.23 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.38 3tgf h GLN 26 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.00 3tgf h GLN 26 CO -0.56 0.00 -0.49 0.39 -1.50 0.00 0.00 178.83 176.67 3tgf n GLU 27 N -2.74 3.96 -2.46 1.46 4.71 -0.34 -5.00 120.64 120.22 3tgf n GLU 27 Ca -0.02 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.16 56.96 3tgf n GLU 27 Cb 0.06 -0.90 -0.01 0.00 -1.01 0.00 0.00 31.44 29.58 3tgf n GLU 27 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3tgf n ASP 28 N -1.26 -4.64 -4.50 1.62 2.03 -0.04 -4.97 116.55 104.79 3tgf n ASP 28 Ca 0.01 0.10 -0.42 0.00 0.52 0.00 0.00 54.79 55.00 3tgf n ASP 28 Cb 0.13 -3.90 -0.09 0.00 -0.72 0.00 0.00 41.12 36.54 3tgf n ASP 28 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3tgf s LYS 29 N -5.07 3.25 -0.86 -0.67 2.20 -0.91 -4.85 119.74 112.82 3tgf s LYS 29 Ca 0.02 -0.67 -0.25 0.00 -0.36 0.00 0.00 55.97 54.70 3tgf s LYS 29 Cb -0.01 -3.91 0.04 0.00 -1.51 0.00 0.00 37.83 32.44 3tgf s LYS 29 CO 0.02 -0.72 1.38 -2.14 -0.36 0.00 0.00 175.35 173.53 3tgf s PRO 30 N 2.03 3.34 -0.18 4.03 0.02 -1.26 -0.38 135.00 142.60 3tgf s PRO 30 Ca 0.11 -0.61 -0.13 0.00 0.02 0.00 0.00 61.00 60.39 3tgf s PRO 30 Cb -0.17 -4.72 -0.05 0.00 0.02 0.00 0.00 34.50 29.58 3tgf s PRO 30 CO 0.12 -2.21 0.26 0.00 -0.33 0.00 0.00 177.00 174.84 3tgf s ALA 31 N 5.56 3.61 -0.09 -1.55 0.00 -0.02 -4.74 121.76 124.53 3tgf s ALA 31 Ca 0.41 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.81 3tgf s ALA 31 Cb -0.05 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 3tgf s ALA 31 CO 0.04 0.01 -0.08 0.00 0.00 0.00 0.00 175.76 175.73 3tgf s VAL 33 N -0.41 4.74 0.23 0.00 1.01 0.05 -4.94 120.40 121.08 3tgf s VAL 33 Ca 0.06 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 3tgf s VAL 33 Cb -0.12 -4.42 -0.12 0.00 0.00 0.00 0.00 36.38 31.72 3tgf s VAL 33 CO 0.02 -1.00 1.69 0.00 0.00 0.00 0.00 175.10 175.81 3tgf n HIS 35 N 3.44 2.35 -1.56 0.00 8.25 -0.59 -4.87 115.22 122.24 3tgf n HIS 35 Ca 0.14 0.45 -0.39 0.00 -0.26 0.00 0.00 57.72 57.67 3tgf n HIS 35 Cb 0.35 -2.47 -0.03 0.00 1.12 0.00 0.00 29.99 28.96 3tgf n HIS 35 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3tgf n SER 36 N 1.53 2.58 0.00 0.41 2.88 -1.26 -0.38 113.62 119.38 3tgf n SER 36 Ca 0.08 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 3tgf n SER 36 Cb 0.34 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 3tgf n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3tgf n GLY 37 N 5.96 1.15 3.20 0.46 0.00 -1.20 -3.69 105.19 111.07 3tgf n GLY 37 Ca 0.35 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.19 3tgf n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3tgf s TYR 38 N -0.90 1.34 0.33 1.61 1.51 0.49 -0.69 117.35 121.03 3tgf s TYR 38 Ca 0.00 -0.48 0.08 0.00 -1.01 0.00 0.00 57.07 55.65 3tgf s TYR 38 Cb 0.00 -0.73 -0.06 0.00 -0.11 0.00 0.00 41.96 41.05 3tgf s TYR 38 CO 0.00 0.10 -0.05 0.14 -1.11 0.00 0.00 175.55 174.62 3tgf s VAL 39 N -1.50 1.91 0.00 0.71 -7.23 0.16 -4.61 120.40 109.83 3tgf s VAL 39 Ca 0.02 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 3tgf s VAL 39 Cb -0.09 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.22 3tgf s VAL 39 CO 0.03 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 3tgf n GLY 40 N -0.73 3.66 0.23 2.32 0.00 -1.26 -0.71 105.19 108.70 3tgf n GLY 40 Ca -0.05 -1.66 0.02 0.00 0.00 0.00 0.00 46.02 44.33 3tgf n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3tgf h ALA 41 N 0.00 1.46 -0.01 4.61 0.00 -2.00 -0.71 119.26 122.61 3tgf h ALA 41 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3tgf h ALA 41 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3tgf h ALA 41 CO 0.00 0.38 -0.18 0.54 0.00 0.00 0.00 179.25 179.99 3tgf n ARG 42 N -4.24 0.77 -3.33 0.00 3.00 -1.26 -4.78 116.66 106.82 3tgf n ARG 42 Ca -0.01 -0.36 -0.28 0.00 -0.01 0.00 0.00 57.85 57.19 3tgf n ARG 42 Cb 0.29 -1.49 0.03 0.00 0.00 0.00 0.00 32.46 31.29 3tgf n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3tgf n GLU 44 N 0.02 0.00 -2.72 0.00 0.00 -0.76 -0.26 120.64 116.93 3tgf n GLU 44 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.70 3tgf n GLU 44 Cb 0.60 -0.45 -0.03 0.00 0.00 0.00 0.00 31.44 31.56 3tgf n GLU 44 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3tgf s HIS 45 N -1.00 2.65 -0.30 -1.84 3.76 0.11 -4.85 115.29 113.82 3tgf s HIS 45 Ca 0.00 0.06 -0.28 0.00 -0.15 0.00 0.00 55.06 54.69 3tgf s HIS 45 Cb 0.00 -4.32 -0.04 0.00 1.11 0.00 0.00 32.58 29.34 3tgf s HIS 45 CO 0.00 -1.56 2.05 0.00 -0.85 0.00 0.00 174.74 174.38 3tgf s ALA 46 N 4.54 2.69 -0.77 -1.40 0.00 -1.26 0.40 121.76 125.96 3tgf s ALA 46 Ca 0.34 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.72 3tgf s ALA 46 Cb -0.11 -4.08 0.20 0.00 0.00 0.00 0.00 23.12 19.13 3tgf s ALA 46 CO 0.20 -2.88 0.64 0.34 0.00 0.00 0.00 175.76 174.06 3tgf s ASP 47 N 7.65 5.89 -1.12 0.00 -1.08 0.13 -4.87 116.67 123.26 3tgf s ASP 47 Ca 0.91 -3.09 -0.12 0.00 -0.52 0.00 0.00 52.55 49.73 3tgf s ASP 47 Cb -0.27 -1.97 -0.07 0.00 -1.46 0.00 0.00 42.92 39.15 3tgf s ASP 47 CO 0.33 -0.36 2.27 0.18 0.52 0.00 0.00 175.17 178.11 3tgf n LEU 48 N 3.24 5.87 -2.06 -1.34 4.77 -1.23 -3.42 117.00 122.83 3tgf n LEU 48 Ca 0.14 -3.42 -0.16 0.00 -0.03 0.00 0.00 56.01 52.54 3tgf n LEU 48 Cb 0.40 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.14 3tgf n LEU 48 CO 0.35 0.77 1.41 0.18 -1.33 0.00 0.00 177.39 178.77 3tgf n LEU 49 N 5.20 5.96 0.00 2.23 7.99 -1.26 -4.86 117.00 132.26 3tgf n LEU 49 Ca 0.54 -3.38 0.03 0.00 -0.01 0.00 0.00 56.01 53.19 3tgf n LEU 49 Cb 0.26 -1.23 0.18 0.00 -0.11 0.00 0.00 43.42 42.53 3tgf n LEU 49 CO 0.85 1.49 0.41 0.00 -1.51 0.00 0.00 177.39 178.63