#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3tgf h VAL 2 N 0.00 0.52 -0.95 3.34 2.07 -2.04 -1.20 116.25 117.99 3tgf h VAL 2 Ca 0.00 -0.10 0.23 0.00 0.82 0.00 0.00 66.70 67.64 3tgf h VAL 2 Cb 0.00 0.19 -0.12 0.00 -1.52 0.00 0.00 31.29 29.84 3tgf h VAL 2 CO 0.00 0.06 0.50 -1.28 0.02 0.00 0.00 177.57 176.87 3tgf h SER 3 N 0.30 0.53 0.49 0.57 0.87 -1.98 -0.01 113.55 114.32 3tgf h SER 3 Ca 0.44 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 61.11 3tgf h SER 3 Cb 0.75 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 3tgf h SER 3 CO -0.51 0.07 -0.12 0.45 -0.53 0.00 0.00 176.83 176.20 3tgf h HIS 4 N 0.52 0.00 -1.85 2.24 -0.00 -1.51 -3.15 115.15 111.39 3tgf h HIS 4 Ca 0.60 0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 60.48 3tgf h HIS 4 Cb 1.11 0.00 -0.41 0.00 -0.00 0.00 0.00 27.41 28.11 3tgf h HIS 4 CO -0.07 0.12 -1.06 1.97 -0.00 0.00 0.00 177.93 178.89 3tgf n PHE 5 N -3.50 1.32 -2.60 2.45 1.16 -0.07 -1.58 117.46 114.64 3tgf n PHE 5 Ca -0.01 -3.63 -0.42 0.00 -1.87 0.00 0.00 57.45 51.52 3tgf n PHE 5 Cb 0.26 -0.41 -0.03 0.00 -1.61 0.00 0.00 39.48 37.69 3tgf n PHE 5 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3tgf s ASN 6 N -2.83 7.28 -0.49 5.98 2.20 -0.70 -4.30 114.94 122.09 3tgf s ASN 6 Ca 0.40 1.85 -0.34 0.00 -0.94 0.00 0.00 52.86 53.83 3tgf s ASN 6 Cb 0.36 -2.58 -0.13 0.00 -2.00 0.00 0.00 41.25 36.90 3tgf s ASN 6 CO -0.08 -0.29 2.30 0.47 -2.94 0.00 0.00 177.10 176.57 3tgf n ASP 7 N 3.54 1.74 -4.69 3.54 9.92 -1.26 0.16 116.55 129.50 3tgf n ASP 7 Ca 0.06 0.25 -0.56 0.00 -0.53 0.00 0.00 54.79 54.01 3tgf n ASP 7 Cb 0.49 -1.23 -0.07 0.00 -0.64 0.00 0.00 41.12 39.67 3tgf n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3tgf s PRO 9 N 3.11 3.69 -0.33 0.00 0.02 -1.26 -4.93 135.00 135.30 3tgf s PRO 9 Ca 0.96 -1.68 -0.27 0.00 0.02 0.00 0.00 61.00 60.03 3tgf s PRO 9 Cb -1.04 -5.46 -0.05 0.00 0.02 0.00 0.00 34.50 27.97 3tgf s PRO 9 CO 0.62 -2.49 2.26 -0.51 -0.33 0.00 0.00 177.00 176.56 3tgf s ASP 10 N 4.76 5.09 -0.30 2.53 1.11 -1.26 -4.69 116.67 123.92 3tgf s ASP 10 Ca 0.55 1.54 -0.04 0.00 0.18 0.00 0.00 52.55 54.77 3tgf s ASP 10 Cb 0.02 -2.51 0.19 0.00 1.07 0.00 0.00 42.92 41.70 3tgf s ASP 10 CO 0.05 -2.30 0.84 -0.44 1.18 0.00 0.00 175.17 174.50 3tgf s SER 11 N 9.63 -0.96 0.00 0.27 0.01 -1.26 -4.91 113.70 116.48 3tgf s SER 11 Ca 0.98 0.19 0.00 0.00 1.31 0.00 0.00 55.95 58.43 3tgf s SER 11 Cb -0.26 1.64 0.00 0.00 0.21 0.00 0.00 66.02 67.60 3tgf s SER 11 CO 0.31 -0.18 0.00 1.57 0.41 0.00 0.00 173.24 175.36 3tgf n HIS 12 N 5.29 0.00 -0.13 2.43 -0.00 -1.26 -4.75 115.22 116.81 3tgf n HIS 12 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.74 3tgf n HIS 12 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.53 3tgf n HIS 12 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3tgf n THR 13 N 0.00 0.40 0.00 3.57 -2.24 -1.26 -3.95 114.28 110.80 3tgf n THR 13 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3tgf n THR 13 Cb 0.00 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 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 3.99 0.00 0.00 -0.78 6.02 -1.26 -3.99 117.38 121.35 3tgf n GLN 14 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3tgf n GLN 14 Cb 0.06 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.32 3tgf n GLN 14 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3tgf n PHE 15 N -2.24 0.00 -4.40 1.08 -0.00 -1.25 -4.64 117.46 106.00 3tgf n PHE 15 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.20 3tgf n PHE 15 Cb 0.00 -0.12 -0.09 0.00 -0.00 0.00 0.00 39.48 39.27 3tgf n PHE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3tgf n PHE 17 N -0.93 0.00 -2.45 0.00 3.01 0.39 -4.70 117.46 112.78 3tgf n PHE 17 Ca -0.04 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.01 3tgf n PHE 17 Cb 0.63 -0.05 0.02 0.00 -0.01 0.00 0.00 39.48 40.07 3tgf n PHE 17 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3tgf n HIS 18 N -1.05 2.83 -3.35 1.38 8.25 0.32 -4.76 115.22 118.83 3tgf n HIS 18 Ca 0.00 -2.51 -0.14 0.00 -0.26 0.00 0.00 57.72 54.82 3tgf n HIS 18 Cb 0.00 -1.19 -0.08 0.00 1.12 0.00 0.00 29.99 29.84 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 -1.29 -0.32 -0.79 -1.41 0.00 -1.26 -0.78 107.32 101.47 3tgf s GLY 19 Ca 0.42 -0.18 -0.25 0.00 0.00 0.00 0.00 44.72 44.71 3tgf s GLY 19 CO -0.21 2.84 1.82 -0.51 0.00 0.00 0.00 173.10 177.05 3tgf s THR 20 N 2.31 3.47 0.48 0.90 -4.23 0.31 -4.53 115.64 114.36 3tgf s THR 20 Ca 0.10 -0.13 -0.21 0.00 -1.18 0.00 0.00 61.69 60.28 3tgf s THR 20 Cb -0.13 -4.14 -0.08 0.00 1.34 0.00 0.00 72.50 69.49 3tgf s THR 20 CO -0.28 -1.08 1.05 0.00 -0.54 0.00 0.00 174.62 173.76 3tgf s ARG 22 N -3.17 3.40 -0.58 0.00 3.00 0.96 -0.44 118.95 122.11 3tgf s ARG 22 Ca 0.67 -0.63 -0.25 0.00 0.00 0.00 0.00 55.73 55.52 3tgf s ARG 22 Cb -0.18 -2.95 0.04 0.00 0.00 0.00 0.00 34.95 31.87 3tgf s ARG 22 CO 0.21 -0.11 1.03 0.12 0.00 0.00 0.00 175.30 176.55 3tgf s PHE 23 N 1.25 2.71 -0.93 -0.53 5.36 0.12 -0.79 117.98 125.17 3tgf s PHE 23 Ca 0.03 0.06 -0.24 0.00 -0.96 0.00 0.00 56.93 55.82 3tgf s PHE 23 Cb -0.14 -4.24 0.01 0.00 -0.34 0.00 0.00 43.02 38.31 3tgf s PHE 23 CO -0.02 -1.48 1.64 -0.51 -1.46 0.00 0.00 175.22 173.39 3tgf s LEU 24 N 4.33 3.34 0.10 6.12 2.01 0.92 -1.71 118.68 133.78 3tgf s LEU 24 Ca 0.33 -0.98 -0.35 0.00 0.01 0.00 0.00 54.13 53.14 3tgf s LEU 24 Cb -0.11 -2.56 -0.16 0.00 0.01 0.00 0.00 46.19 43.37 3tgf s LEU 24 CO 0.20 -2.03 1.55 0.58 1.01 0.00 0.00 176.35 177.66 3tgf h VAL 25 N 6.91 0.00 0.00 -1.59 2.07 -1.57 -0.55 116.25 121.52 3tgf h VAL 25 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3tgf h VAL 25 Cb 1.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3tgf h VAL 25 CO 1.33 0.00 0.17 0.00 0.02 0.00 0.00 177.57 179.09 3tgf n GLN 26 N -5.48 0.11 0.00 1.57 0.00 -1.26 -1.00 117.38 111.31 3tgf n GLN 26 Ca -0.10 0.59 0.03 0.00 0.00 0.00 0.00 57.00 57.53 3tgf n GLN 26 Cb 0.43 -2.02 -0.02 0.00 0.00 0.00 0.00 30.24 28.62 3tgf n GLN 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3tgf n GLU 27 N -2.11 3.61 -2.36 2.61 1.02 -0.56 -5.01 120.64 117.83 3tgf n GLU 27 Ca -0.01 -0.23 -0.13 0.00 -0.02 0.00 0.00 57.16 56.77 3tgf n GLU 27 Cb 0.20 -0.91 -0.01 0.00 -0.02 0.00 0.00 31.44 30.70 3tgf n GLU 27 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3tgf n ASP 28 N -0.79 -3.98 -4.17 1.62 5.68 -0.17 -4.96 116.55 109.78 3tgf n ASP 28 Ca 0.02 0.19 -0.33 0.00 -0.50 0.00 0.00 54.79 54.17 3tgf n ASP 28 Cb 0.13 -3.40 -0.16 0.00 -1.14 0.00 0.00 41.12 36.55 3tgf n ASP 28 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3tgf s LYS 29 N -4.88 3.05 0.13 0.11 2.20 -0.98 -4.95 119.74 114.42 3tgf s LYS 29 Ca 0.00 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.49 3tgf s LYS 29 Cb 0.00 -2.55 -0.07 0.00 -1.51 0.00 0.00 37.83 33.70 3tgf s LYS 29 CO 0.00 -0.11 1.15 -2.14 -0.36 0.00 0.00 175.35 173.89 3tgf s PRO 30 N 1.06 4.51 -0.00 4.03 0.02 -1.26 -0.05 135.00 143.31 3tgf s PRO 30 Ca -0.01 1.76 0.02 0.00 0.02 0.00 0.00 61.00 62.79 3tgf s PRO 30 Cb -0.14 -3.30 -0.01 0.00 0.02 0.00 0.00 34.50 31.07 3tgf s PRO 30 CO -0.07 -0.08 -0.08 0.00 -0.33 0.00 0.00 177.00 176.44 3tgf s ALA 31 N 0.30 0.66 -0.09 -1.55 0.00 0.03 -4.94 121.76 116.17 3tgf s ALA 31 Ca 0.53 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 3tgf s ALA 31 Cb -0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3tgf s ALA 31 CO 0.33 0.15 -0.03 0.00 0.00 0.00 0.00 175.76 176.21 3tgf s VAL 33 N -0.58 4.00 0.14 0.00 1.01 -0.06 -4.87 120.40 120.05 3tgf s VAL 33 Ca 0.09 -0.58 -0.34 0.00 0.00 0.00 0.00 61.98 61.16 3tgf s VAL 33 Cb -0.12 -4.97 -0.14 0.00 0.00 0.00 0.00 36.38 31.16 3tgf s VAL 33 CO 0.02 -1.84 1.60 0.00 0.00 0.00 0.00 175.10 174.89 3tgf n HIS 35 N 3.67 0.09 -1.36 0.00 8.25 0.04 -4.80 115.22 121.11 3tgf n HIS 35 Ca 0.17 0.36 -0.52 0.00 -0.26 0.00 0.00 57.72 57.47 3tgf n HIS 35 Cb 0.29 -1.99 -0.13 0.00 1.12 0.00 0.00 29.99 29.28 3tgf n HIS 35 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3tgf n SER 36 N -1.91 0.57 0.00 0.41 7.64 -1.26 -0.93 113.62 118.13 3tgf n SER 36 Ca 0.11 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.46 3tgf n SER 36 Cb 0.51 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 3tgf n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3tgf n GLY 37 N 7.08 0.55 3.76 0.23 0.00 -1.26 -4.97 105.19 110.57 3tgf n GLY 37 Ca 0.59 -0.04 -0.38 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 -2.00 3.65 0.26 1.61 1.51 -0.11 -0.14 117.35 122.13 3tgf s TYR 38 Ca 0.00 1.09 0.09 0.00 -1.01 0.00 0.00 57.07 57.24 3tgf s TYR 38 Cb 0.00 -2.55 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 3tgf s TYR 38 CO 0.00 0.35 0.06 0.14 -1.11 0.00 0.00 175.55 174.99 3tgf s VAL 39 N -0.13 3.77 0.00 0.71 -7.23 0.13 -4.75 120.40 112.89 3tgf s VAL 39 Ca 0.29 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3tgf s VAL 39 Cb -0.17 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.75 3tgf s VAL 39 CO 0.15 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 3tgf n GLY 40 N -0.95 3.38 0.27 2.32 0.00 -1.26 -0.85 105.19 108.10 3tgf n GLY 40 Ca -0.07 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.30 4.61 0.00 -1.99 -0.90 119.26 122.13 3tgf h ALA 41 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3tgf h ALA 41 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3tgf h ALA 41 CO 0.00 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.18 3tgf n ARG 42 N -4.30 1.93 -3.47 0.00 3.00 -1.26 -4.80 116.66 107.76 3tgf n ARG 42 Ca 0.01 -1.43 -0.30 0.00 -0.01 0.00 0.00 57.85 56.13 3tgf n ARG 42 Cb 0.23 -1.38 0.02 0.00 0.00 0.00 0.00 32.46 31.33 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 -1.24 1.88 -3.56 0.00 4.07 -0.92 -0.52 120.64 120.35 3tgf n GLU 44 Ca -0.18 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.51 3tgf n GLU 44 Cb 0.63 -0.98 -0.09 0.00 -0.06 0.00 0.00 31.44 30.94 3tgf n GLU 44 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 3tgf s HIS 45 N -1.95 3.36 -0.20 4.31 3.76 -0.03 -4.92 115.29 119.61 3tgf s HIS 45 Ca 0.00 -1.58 -0.29 0.00 -0.15 0.00 0.00 55.06 53.04 3tgf s HIS 45 Cb 0.00 -3.18 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 3tgf s HIS 45 CO 0.00 -0.90 1.72 0.00 -0.85 0.00 0.00 174.74 174.71 3tgf s ALA 46 N 1.43 3.23 -0.80 -1.40 0.00 -1.26 0.17 121.76 123.12 3tgf s ALA 46 Ca 0.04 0.57 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 3tgf s ALA 46 Cb -0.24 -3.88 0.02 0.00 0.00 0.00 0.00 23.12 19.01 3tgf s ALA 46 CO 0.02 -2.03 1.48 0.34 0.00 0.00 0.00 175.76 175.56 3tgf s ASP 47 N 4.76 6.00 0.39 0.00 -1.08 0.81 -4.86 116.67 122.68 3tgf s ASP 47 Ca 0.76 -0.58 0.19 0.00 -0.52 0.00 0.00 52.55 52.40 3tgf s ASP 47 Cb -0.27 -2.56 1.14 0.00 -1.46 0.00 0.00 42.92 39.77 3tgf s ASP 47 CO 0.31 -1.93 1.73 -0.07 0.52 0.00 0.00 175.17 175.73 3tgf h LEU 48 N 13.98 0.44 -6.29 -1.34 3.38 -1.91 -2.32 115.31 121.25 3tgf h LEU 48 Ca -0.12 0.11 -0.76 0.00 0.09 0.00 0.00 57.88 57.19 3tgf h LEU 48 Cb 1.06 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.68 3tgf h LEU 48 CO 1.30 0.02 1.88 0.18 0.09 0.00 0.00 178.44 181.91 3tgf n LEU 49 N -4.70 7.04 0.00 1.67 4.77 -1.26 -5.27 117.00 119.25 3tgf n LEU 49 Ca 0.28 -4.85 0.01 0.00 -0.03 0.00 0.00 56.01 51.43 3tgf n LEU 49 Cb 0.97 -1.39 0.08 0.00 -2.33 0.00 0.00 43.42 40.75 3tgf n LEU 49 CO 0.22 1.66 0.32 0.00 -1.33 0.00 0.00 177.39 178.26