#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tgf n VAL 2 N 0.00 0.00 -0.03 1.55 0.24 -1.26 -4.65 118.33 114.18 2tgf n VAL 2 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 2tgf n VAL 2 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 2tgf n VAL 2 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2tgf n SER 3 N 0.00 -0.08 -2.71 -1.34 3.41 -1.26 -0.98 113.62 110.66 2tgf n SER 3 Ca 0.00 0.28 -0.30 0.00 -0.26 0.00 0.00 58.87 58.59 2tgf n SER 3 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2tgf n SER 3 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2tgf n HIS 4 N -2.87 3.42 0.00 7.33 -0.00 -1.26 -4.52 115.22 117.32 2tgf n HIS 4 Ca 0.00 -3.10 0.00 0.00 -0.00 0.00 0.00 57.72 54.63 2tgf n HIS 4 Cb 0.02 -0.42 0.00 0.00 -0.00 0.00 0.00 29.99 29.58 2tgf n HIS 4 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 2tgf n PHE 5 N -0.43 0.00 -1.42 4.41 -1.74 -0.15 -0.69 117.46 117.44 2tgf n PHE 5 Ca 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.30 2tgf n PHE 5 Cb 0.51 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.51 2tgf n PHE 5 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 2tgf n ASN 6 N -1.70 0.00 -3.52 5.98 0.23 -1.25 -0.96 115.26 114.05 2tgf n ASN 6 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.84 2tgf n ASN 6 Cb 0.20 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.76 2tgf n ASN 6 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 2tgf s ASP 7 N -4.00 1.75 -0.01 0.53 -4.77 -1.26 -4.53 116.67 104.37 2tgf s ASP 7 Ca 0.00 -0.41 -0.33 0.00 -3.30 0.00 0.00 52.55 48.50 2tgf s ASP 7 Cb 0.00 0.20 -0.12 0.00 -1.09 0.00 0.00 42.92 41.92 2tgf s ASP 7 CO 0.00 -0.34 1.83 0.00 0.70 0.00 0.00 175.17 177.36 2tgf s PRO 9 N 3.43 2.76 -1.57 0.00 0.04 -1.26 -4.88 135.00 133.52 2tgf s PRO 9 Ca 0.89 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 2tgf s PRO 9 Cb -0.65 -4.35 -0.05 0.00 0.04 0.00 0.00 34.50 29.50 2tgf s PRO 9 CO 0.47 -2.58 2.71 -0.25 0.04 0.00 0.00 177.00 177.40 2tgf n ASP 10 N 12.25 7.07 -0.07 6.66 8.00 -1.26 -3.89 116.55 145.31 2tgf n ASP 10 Ca 0.20 -2.66 -0.13 0.00 0.71 0.00 0.00 54.79 52.91 2tgf n ASP 10 Cb 0.51 -1.59 -0.06 0.00 -0.02 0.00 0.00 41.12 39.96 2tgf n ASP 10 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2tgf n SER 11 N 4.46 1.79 -0.06 -2.24 3.41 -1.26 -4.84 113.62 114.87 2tgf n SER 11 Ca 0.70 0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 59.29 2tgf n SER 11 Cb 0.29 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 2tgf n SER 11 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2tgf n HIS 12 N -3.36 0.00 0.00 7.33 -0.00 -1.25 -4.54 115.22 113.40 2tgf n HIS 12 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.45 2tgf n HIS 12 Cb 0.73 -0.45 0.00 0.00 -0.00 0.00 0.00 29.99 30.27 2tgf n HIS 12 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2tgf n THR 13 N -3.03 0.17 0.00 3.57 -2.24 -1.26 -3.18 114.28 108.32 2tgf n THR 13 Ca -0.22 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2tgf n THR 13 Cb 0.71 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 2tgf n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2tgf n GLN 14 N -0.91 0.00 -0.53 -0.78 3.00 -1.26 -1.15 117.38 115.74 2tgf n GLN 14 Ca 0.00 0.00 0.43 0.00 -0.01 0.00 0.00 57.00 57.42 2tgf n GLN 14 Cb 0.02 -1.13 0.72 0.00 0.00 0.00 0.00 30.24 29.84 2tgf n GLN 14 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 2tgf h PHE 15 N 0.00 0.35 -3.93 1.08 3.57 -1.93 -3.38 116.94 112.71 2tgf h PHE 15 Ca 0.00 0.02 -0.53 0.00 3.53 0.00 0.00 57.97 60.99 2tgf h PHE 15 Cb 0.00 -0.08 -0.31 0.00 2.79 0.00 0.00 35.95 38.35 2tgf h PHE 15 CO 0.00 -0.18 -0.82 0.00 -2.23 0.00 0.00 178.31 175.07 2tgf h PHE 17 N 6.22 0.00 -2.35 0.00 0.04 -1.12 -3.39 116.94 116.33 2tgf h PHE 17 Ca -0.33 0.00 -0.73 0.00 2.80 0.00 0.00 57.97 59.71 2tgf h PHE 17 Cb 1.17 0.00 -0.33 0.00 2.20 0.00 0.00 35.95 38.99 2tgf h PHE 17 CO 0.43 0.00 0.40 0.72 -0.60 0.00 0.00 178.31 179.26 2tgf n HIS 18 N -3.20 3.13 -3.46 -0.55 8.25 0.33 -4.90 115.22 114.83 2tgf n HIS 18 Ca -0.01 -3.09 -0.16 0.00 -0.26 0.00 0.00 57.72 54.19 2tgf n HIS 18 Cb 0.04 -0.96 -0.12 0.00 1.12 0.00 0.00 29.99 30.08 2tgf n HIS 18 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2tgf s GLY 19 N -2.10 -0.09 -1.12 -1.41 0.00 -1.26 -1.17 107.32 100.17 2tgf s GLY 19 Ca 0.41 0.35 -0.22 0.00 0.00 0.00 0.00 44.72 45.26 2tgf s GLY 19 CO -0.09 2.29 1.72 -0.51 0.00 0.00 0.00 173.10 176.51 2tgf s THR 20 N 2.37 3.84 0.35 0.90 -4.23 0.38 -4.80 115.64 114.44 2tgf s THR 20 Ca 0.08 -1.10 -0.26 0.00 -1.18 0.00 0.00 61.69 59.24 2tgf s THR 20 Cb -0.16 -4.83 -0.09 0.00 1.34 0.00 0.00 72.50 68.76 2tgf s THR 20 CO -0.14 -1.63 1.02 0.00 -0.54 0.00 0.00 174.62 173.33 2tgf s ARG 22 N -2.12 2.97 -1.04 0.00 3.00 0.34 -1.54 118.95 120.57 2tgf s ARG 22 Ca 0.52 -1.01 -0.20 0.00 0.00 0.00 0.00 55.73 55.04 2tgf s ARG 22 Cb -0.23 -3.89 0.09 0.00 0.00 0.00 0.00 34.95 30.92 2tgf s ARG 22 CO 0.29 -0.71 1.37 0.12 0.00 0.00 0.00 175.30 176.37 2tgf s PHE 23 N 1.65 2.84 -0.91 -0.53 5.36 -0.13 -1.47 117.98 124.79 2tgf s PHE 23 Ca 0.04 -1.22 -0.25 0.00 -0.96 0.00 0.00 56.93 54.54 2tgf s PHE 23 Cb -0.19 -4.53 -0.11 0.00 -0.34 0.00 0.00 43.02 37.85 2tgf s PHE 23 CO 0.09 -1.73 2.15 -0.51 -1.46 0.00 0.00 175.22 173.76 2tgf s LEU 24 N 3.84 2.94 0.18 6.12 1.43 0.28 -4.06 118.68 129.40 2tgf s LEU 24 Ca 0.42 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 2tgf s LEU 24 Cb -0.01 -2.56 0.08 0.00 0.03 0.00 0.00 46.19 43.72 2tgf s LEU 24 CO -0.07 -3.47 1.67 0.58 0.23 0.00 0.00 176.35 175.30 2tgf h VAL 25 N 7.26 1.26 0.00 -1.59 2.07 -1.17 0.22 116.25 124.29 2tgf h VAL 25 Ca 0.06 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2tgf h VAL 25 Cb 1.00 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2tgf h VAL 25 CO 1.11 0.38 0.00 0.06 0.02 0.00 0.00 177.57 179.13 2tgf h GLN 26 N 0.96 0.00 -0.01 1.57 -0.00 -1.88 0.27 115.11 116.03 2tgf h GLN 26 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 2tgf h GLN 26 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.91 2tgf h GLN 26 CO 0.01 0.00 -0.15 0.39 -0.00 0.00 0.00 178.83 179.08 2tgf n GLU 27 N -2.62 2.16 -2.31 0.06 1.02 -0.64 -5.02 120.64 113.30 2tgf n GLU 27 Ca -0.02 -0.53 -0.10 0.00 -0.02 0.00 0.00 57.16 56.49 2tgf n GLU 27 Cb 0.07 -1.01 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 2tgf n GLU 27 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2tgf n ASP 28 N -0.28 -3.33 -4.18 1.62 5.68 0.56 -4.96 116.55 111.67 2tgf n ASP 28 Ca 0.03 0.25 -0.34 0.00 -0.50 0.00 0.00 54.79 54.23 2tgf n ASP 28 Cb 0.16 -2.89 -0.15 0.00 -1.14 0.00 0.00 41.12 37.09 2tgf n ASP 28 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2tgf s LYS 29 N -4.75 3.01 0.10 0.11 2.20 -0.04 -4.91 119.74 115.46 2tgf s LYS 29 Ca 0.00 -0.84 -0.31 0.00 -0.36 0.00 0.00 55.97 54.46 2tgf s LYS 29 Cb 0.00 -2.78 -0.07 0.00 -1.51 0.00 0.00 37.83 33.47 2tgf s LYS 29 CO 0.00 -0.27 1.28 -2.14 -0.36 0.00 0.00 175.35 173.86 2tgf s PRO 30 N 1.33 4.39 -0.01 4.03 0.02 -1.26 -0.56 135.00 142.93 2tgf s PRO 30 Ca 0.03 1.92 0.03 0.00 0.02 0.00 0.00 61.00 63.00 2tgf s PRO 30 Cb -0.14 -3.29 -0.00 0.00 0.02 0.00 0.00 34.50 31.08 2tgf s PRO 30 CO -0.08 -0.32 -0.09 0.00 -0.33 0.00 0.00 177.00 176.18 2tgf s ALA 31 N 0.94 0.81 -0.01 -1.55 0.00 -0.54 -4.95 121.76 116.46 2tgf s ALA 31 Ca 0.61 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.25 2tgf s ALA 31 Cb -0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 2tgf s ALA 31 CO 0.31 0.17 -0.20 0.00 0.00 0.00 0.00 175.76 176.04 2tgf s VAL 33 N -0.76 4.69 0.27 0.00 1.01 -0.38 -4.96 120.40 120.27 2tgf s VAL 33 Ca 0.12 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.14 2tgf s VAL 33 Cb -0.10 -4.49 -0.12 0.00 0.00 0.00 0.00 36.38 31.67 2tgf s VAL 33 CO 0.02 -1.12 1.62 0.00 0.00 0.00 0.00 175.10 175.61 2tgf n HIS 35 N 2.59 -0.14 -1.57 0.00 8.25 -0.31 -4.77 115.22 119.26 2tgf n HIS 35 Ca 0.11 0.40 -0.34 0.00 -0.26 0.00 0.00 57.72 57.62 2tgf n HIS 35 Cb 0.36 -2.00 -0.03 0.00 1.12 0.00 0.00 29.99 29.43 2tgf n HIS 35 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2tgf s SER 36 N -1.40 4.39 0.00 0.41 1.04 -1.26 -0.65 113.70 116.23 2tgf s SER 36 Ca 0.70 0.95 0.00 0.00 0.48 0.00 0.00 55.95 58.09 2tgf s SER 36 Cb -0.38 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.23 2tgf s SER 36 CO 0.53 -2.98 0.00 0.61 0.98 0.00 0.00 173.24 172.39 2tgf n GLY 37 N 6.08 1.18 3.64 7.32 0.00 -1.26 -5.09 105.19 117.05 2tgf n GLY 37 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 2tgf n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2tgf s TYR 38 N -2.00 2.85 0.36 1.61 1.51 0.18 -0.64 117.35 121.21 2tgf s TYR 38 Ca 0.00 -0.11 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 2tgf s TYR 38 Cb 0.00 -1.45 -0.05 0.00 -0.11 0.00 0.00 41.96 40.35 2tgf s TYR 38 CO 0.00 0.47 0.08 0.14 -1.11 0.00 0.00 175.55 175.13 2tgf s VAL 39 N -1.39 0.99 0.00 0.71 -7.23 0.12 -4.68 120.40 108.91 2tgf s VAL 39 Ca 0.25 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 2tgf s VAL 39 Cb -0.11 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2tgf s VAL 39 CO 0.17 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 2tgf n GLY 40 N -0.77 3.14 0.38 2.32 0.00 -1.26 -1.56 105.19 107.43 2tgf n GLY 40 Ca -0.04 -1.69 0.16 0.00 0.00 0.00 0.00 46.02 44.45 2tgf n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tgf h ALA 41 N 0.00 2.07 -0.57 4.61 0.00 -2.01 -0.75 119.26 122.62 2tgf h ALA 41 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2tgf h ALA 41 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2tgf h ALA 41 CO 0.00 -0.30 0.00 0.54 0.00 0.00 0.00 179.25 179.49 2tgf n ARG 42 N -4.51 3.79 -3.93 0.00 3.00 -1.25 -4.65 116.66 109.10 2tgf n ARG 42 Ca 0.17 -2.66 -0.27 0.00 -0.01 0.00 0.00 57.85 55.08 2tgf n ARG 42 Cb 0.56 -1.95 0.01 0.00 0.00 0.00 0.00 32.46 31.08 2tgf n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2tgf n GLU 44 N -3.27 4.33 -3.32 0.00 0.28 -1.07 -0.51 120.64 117.07 2tgf n GLU 44 Ca -0.06 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.49 2tgf n GLU 44 Cb 0.31 -0.58 -0.07 0.00 1.43 0.00 0.00 31.44 32.54 2tgf n GLU 44 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2tgf s HIS 45 N -1.11 3.20 0.08 -1.84 3.76 -0.60 -4.96 115.29 113.82 2tgf s HIS 45 Ca 0.00 -0.92 -0.31 0.00 -0.15 0.00 0.00 55.06 53.68 2tgf s HIS 45 Cb 0.00 -3.37 -0.09 0.00 1.11 0.00 0.00 32.58 30.23 2tgf s HIS 45 CO 0.00 -0.89 1.74 0.00 -0.85 0.00 0.00 174.74 174.73 2tgf s ALA 46 N 1.85 3.70 0.00 -1.40 0.00 -1.26 0.12 121.76 124.77 2tgf s ALA 46 Ca 0.06 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2tgf s ALA 46 Cb -0.24 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2tgf s ALA 46 CO 0.07 -1.19 1.52 -3.47 0.00 0.00 0.00 175.76 172.68 2tgf n ASP 47 N 5.83 4.08 0.00 0.00 2.03 0.19 -4.89 116.55 123.79 2tgf n ASP 47 Ca 0.17 -2.07 0.00 0.00 0.52 0.00 0.00 54.79 53.41 2tgf n ASP 47 Cb 0.40 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 2tgf n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2tgf n LEU 48 N 1.53 0.00 -0.09 -2.67 4.77 -1.26 -1.21 117.00 118.07 2tgf n LEU 48 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2tgf n LEU 48 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2tgf n LEU 48 CO 0.00 0.00 0.33 -0.11 -1.33 0.00 0.00 177.39 176.28 2tgf n LEU 49 N 0.00 0.13 0.00 2.23 7.94 -1.26 -5.16 117.00 120.88 2tgf n LEU 49 Ca 0.00 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 2tgf n LEU 49 Cb 0.00 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 43.88 2tgf n LEU 49 CO 0.00 0.03 0.00 0.00 -1.11 0.00 0.00 177.39 176.31