#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tfx s PRO 2 N 0.00 0.94 0.29 1.97 0.02 -1.26 -4.94 135.00 132.02 1tfx s PRO 2 Ca 0.00 0.91 -0.01 0.00 0.02 0.00 0.00 61.00 61.92 1tfx s PRO 2 Cb 0.00 -1.77 0.45 0.00 0.02 0.00 0.00 34.50 33.21 1tfx s PRO 2 CO 0.00 -2.48 1.92 -0.44 -0.33 0.00 0.00 177.00 175.67 1tfx h ASP 3 N -1.73 0.98 0.00 2.53 3.32 -2.02 -2.86 116.42 116.64 1tfx h ASP 3 Ca -0.50 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1tfx h ASP 3 Cb 1.29 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1tfx h ASP 3 CO 0.52 0.66 0.20 2.19 -1.72 0.00 0.00 179.24 181.09 1tfx h PHE 4 N 1.12 0.00 0.00 4.55 -5.15 -1.96 -1.31 116.94 114.19 1tfx h PHE 4 Ca 0.37 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.14 1tfx h PHE 4 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.24 1tfx h PHE 4 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1tfx n PHE 6 N -2.15 0.39 -2.78 0.00 3.72 -0.49 -4.59 117.46 111.56 1tfx n PHE 6 Ca 0.02 -0.23 -0.39 0.00 -0.05 0.00 0.00 57.45 56.80 1tfx n PHE 6 Cb 0.21 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.69 1tfx n PHE 6 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1tfx s LEU 7 N -1.37 4.59 0.63 4.37 1.43 -1.02 -4.99 118.68 122.32 1tfx s LEU 7 Ca 0.32 1.90 -0.14 0.00 -1.03 0.00 0.00 54.13 55.17 1tfx s LEU 7 Cb 0.19 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 1tfx s LEU 7 CO 0.27 0.12 1.07 -1.61 0.23 0.00 0.00 176.35 176.43 1tfx s GLU 8 N -1.34 3.09 0.56 1.70 2.02 -1.26 -4.85 118.70 118.62 1tfx s GLU 8 Ca 0.42 1.20 -0.21 0.00 0.02 0.00 0.00 54.97 56.40 1tfx s GLU 8 Cb -0.24 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 1tfx s GLU 8 CO 0.30 -0.99 1.28 -1.83 0.02 0.00 0.00 175.26 174.03 1tfx s GLU 9 N -4.29 3.13 -0.28 1.61 -1.05 -1.26 -4.92 118.70 111.64 1tfx s GLU 9 Ca 0.63 2.02 0.00 0.00 -0.15 0.00 0.00 54.97 57.48 1tfx s GLU 9 Cb -0.17 -2.14 0.15 0.00 -0.44 0.00 0.00 34.13 31.53 1tfx s GLU 9 CO 0.42 -1.13 0.37 0.34 0.95 0.00 0.00 175.26 176.20 1tfx s ASP 10 N -1.25 0.78 0.57 0.83 2.15 -1.26 -5.01 116.67 113.47 1tfx s ASP 10 Ca 0.73 -0.40 0.25 0.00 0.43 0.00 0.00 52.55 53.56 1tfx s ASP 10 Cb -0.35 0.91 1.63 0.00 -0.30 0.00 0.00 42.92 44.80 1tfx s ASP 10 CO 0.40 -0.36 2.20 -0.65 -0.17 0.00 0.00 175.17 176.60 1tfx h PRO 11 N 8.20 0.00 0.00 4.34 0.11 -1.94 -3.40 132.00 139.31 1tfx h PRO 11 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1tfx h PRO 11 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1tfx h PRO 11 CO 0.29 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.49 1tfx n GLY 12 N -1.41 -2.55 0.85 -0.55 0.00 -1.26 -0.31 105.19 99.97 1tfx n GLY 12 Ca -0.02 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.32 1tfx n GLY 12 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1tfx n ILE 13 N -0.21 0.00 -3.24 -0.61 -5.35 -1.25 -4.85 119.36 103.84 1tfx n ILE 13 Ca 0.00 -0.46 -0.31 0.00 -0.27 0.00 0.00 62.75 61.71 1tfx n ILE 13 Cb 0.00 1.44 -0.05 0.00 -1.74 0.00 0.00 39.64 39.30 1tfx n ILE 13 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1tfx n ARG 15 N -0.50 2.29 -3.12 0.00 1.74 -1.26 -4.23 116.66 111.58 1tfx n ARG 15 Ca 0.01 -2.57 -0.25 0.00 -0.77 0.00 0.00 57.85 54.27 1tfx n ARG 15 Cb 0.53 -2.01 -0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1tfx n ARG 15 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1tfx s GLY 16 N -1.00 1.42 -0.71 -0.13 0.00 -0.72 -5.04 107.32 101.14 1tfx s GLY 16 Ca 0.51 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 44.43 1tfx s GLY 16 CO 0.01 -0.73 0.83 2.98 0.00 0.00 0.00 173.10 176.18 1tfx n TYR 17 N -1.96 3.47 -3.60 1.90 9.36 -1.26 -3.95 117.16 121.12 1tfx n TYR 17 Ca -0.02 -3.96 -0.39 0.00 3.32 0.00 0.00 57.90 56.85 1tfx n TYR 17 Cb 0.56 -0.68 -0.11 0.00 -0.63 0.00 0.00 39.34 38.48 1tfx n TYR 17 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1tfx s ILE 18 N -2.42 5.10 -0.07 2.97 1.01 -0.23 -4.92 121.20 122.64 1tfx s ILE 18 Ca 0.37 -0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.68 1tfx s ILE 18 Cb 0.11 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1tfx s ILE 18 CO -0.01 0.17 1.49 -0.89 0.00 0.00 0.00 174.94 175.70 1tfx s THR 19 N 1.72 3.79 0.22 2.92 2.01 -1.26 0.03 115.64 125.07 1tfx s THR 19 Ca 0.06 1.02 -0.05 0.00 0.31 0.00 0.00 61.69 63.04 1tfx s THR 19 Cb -0.16 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1tfx s THR 19 CO 0.09 -0.07 0.25 -0.13 -0.69 0.00 0.00 174.62 174.07 1tfx s ARG 20 N 3.51 1.33 0.04 4.92 0.52 -0.41 -4.95 118.95 123.91 1tfx s ARG 20 Ca 0.66 -1.51 0.08 0.00 -0.52 0.00 0.00 55.73 54.43 1tfx s ARG 20 Cb -0.30 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.48 1tfx s ARG 20 CO 0.25 -0.48 -0.20 0.71 0.02 0.00 0.00 175.30 175.60 1tfx s TYR 21 N -4.09 2.50 0.04 -0.53 1.51 -0.47 -0.38 117.35 115.93 1tfx s TYR 21 Ca 0.34 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 56.11 1tfx s TYR 21 Cb 0.04 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.43 1tfx s TYR 21 CO 0.11 0.23 -0.05 -0.59 -1.11 0.00 0.00 175.55 174.14 1tfx s PHE 22 N -0.90 0.50 -0.47 2.71 -0.71 -0.11 -1.29 117.98 117.70 1tfx s PHE 22 Ca 0.14 -0.60 -0.26 0.00 -1.04 0.00 0.00 56.93 55.17 1tfx s PHE 22 Cb -0.10 -0.32 0.03 0.00 -1.21 0.00 0.00 43.02 41.42 1tfx s PHE 22 CO 0.05 -0.16 0.95 -0.47 -1.34 0.00 0.00 175.22 174.24 1tfx s TYR 23 N -1.83 2.89 -0.80 3.49 5.04 -1.26 -0.14 117.35 124.74 1tfx s TYR 23 Ca -0.09 0.37 -0.26 0.00 -2.44 0.00 0.00 57.07 54.65 1tfx s TYR 23 Cb -0.07 -4.03 0.02 0.00 0.35 0.00 0.00 41.96 38.23 1tfx s TYR 23 CO -0.02 -1.15 1.45 1.21 -1.34 0.00 0.00 175.55 175.71 1tfx s ASN 24 N 2.34 6.04 0.26 4.32 3.84 0.53 -4.83 114.94 127.44 1tfx s ASN 24 Ca 0.37 -0.58 0.18 0.00 0.21 0.00 0.00 52.86 53.04 1tfx s ASN 24 Cb -0.10 -2.56 0.95 0.00 -0.55 0.00 0.00 41.25 39.00 1tfx s ASN 24 CO 0.26 -1.90 1.54 -0.46 -2.79 0.00 0.00 177.10 173.75 1tfx n ASN 25 N 10.08 0.46 -0.07 -4.21 0.23 -1.26 0.77 115.26 121.25 1tfx n ASN 25 Ca 0.15 0.71 -0.08 0.00 -0.53 0.00 0.00 54.58 54.84 1tfx n ASN 25 Cb 0.50 -0.77 -0.04 0.00 -2.08 0.00 0.00 39.78 37.39 1tfx n ASN 25 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1tfx h GLN 26 N 0.00 0.00 0.00 -3.83 4.15 -1.94 -3.34 115.11 110.15 1tfx h GLN 26 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1tfx h GLN 26 Cb 0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1tfx h GLN 26 CO 0.00 0.28 0.00 0.25 -1.93 0.00 0.00 178.83 177.43 1tfx n THR 27 N -4.62 0.16 -3.69 2.39 -2.24 -1.10 -4.91 114.28 100.27 1tfx n THR 27 Ca -0.11 0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.45 1tfx n THR 27 Cb 0.31 -0.62 0.03 0.00 -2.10 0.00 0.00 70.33 67.95 1tfx n THR 27 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tfx n LYS 28 N -1.25 -2.62 -3.50 -0.78 5.02 0.23 -4.99 118.16 110.27 1tfx n LYS 28 Ca 0.13 0.53 -0.13 0.00 -2.02 0.00 0.00 58.31 56.82 1tfx n LYS 28 Cb 0.19 -4.63 -0.04 0.00 -0.02 0.00 0.00 35.03 30.54 1tfx n LYS 28 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1tfx s GLN 29 N -5.93 0.98 0.30 1.97 -2.07 -0.99 -4.98 119.66 108.94 1tfx s GLN 29 Ca 0.27 -0.08 -0.28 0.00 -1.82 0.00 0.00 55.36 53.44 1tfx s GLN 29 Cb -0.09 0.46 -0.09 0.00 -1.09 0.00 0.00 33.01 32.20 1tfx s GLN 29 CO 0.84 -0.37 1.07 0.00 -1.32 0.00 0.00 175.29 175.51 1tfx s GLU 31 N -1.65 1.35 -0.02 0.00 2.02 0.80 -4.87 118.70 116.33 1tfx s GLU 31 Ca 0.47 -1.73 -0.04 0.00 0.02 0.00 0.00 54.97 53.69 1tfx s GLU 31 Cb -0.29 -0.09 -0.04 0.00 0.10 0.00 0.00 34.13 33.80 1tfx s GLU 31 CO 0.37 -0.33 0.20 0.50 0.02 0.00 0.00 175.26 176.02 1tfx s ARG 32 N -4.07 3.47 0.33 1.61 3.52 -1.26 -0.94 118.95 121.62 1tfx s ARG 32 Ca 0.38 -0.25 -0.06 0.00 -0.13 0.00 0.00 55.73 55.68 1tfx s ARG 32 Cb 0.07 -3.10 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1tfx s ARG 32 CO 0.13 0.68 0.54 1.97 -0.81 0.00 0.00 175.30 177.81 1tfx n PHE 33 N 1.10 -1.67 -4.05 5.12 -1.74 0.49 -4.93 117.46 111.79 1tfx n PHE 33 Ca -0.12 -2.00 -0.33 0.00 -0.56 0.00 0.00 57.45 54.44 1tfx n PHE 33 Cb 0.53 0.62 -0.15 0.00 1.52 0.00 0.00 39.48 42.00 1tfx n PHE 33 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1tfx s LYS 34 N -2.51 2.57 0.07 3.97 -0.14 -1.26 -1.29 119.74 121.15 1tfx s LYS 34 Ca 0.22 -1.13 -0.16 0.00 -1.36 0.00 0.00 55.97 53.55 1tfx s LYS 34 Cb -0.02 -2.84 -0.06 0.00 -1.68 0.00 0.00 37.83 33.22 1tfx s LYS 34 CO 0.16 -0.44 0.51 -0.47 -0.76 0.00 0.00 175.35 174.35 1tfx s TYR 35 N 1.21 3.71 -0.83 3.18 5.04 0.10 -4.54 117.35 125.22 1tfx s TYR 35 Ca -0.03 1.10 0.26 0.00 -2.44 0.00 0.00 57.07 55.96 1tfx s TYR 35 Cb -0.17 -2.38 0.97 0.00 0.35 0.00 0.00 41.96 40.73 1tfx s TYR 35 CO -0.07 0.55 1.80 0.41 -1.34 0.00 0.00 175.55 176.90 1tfx n GLY 36 N 1.42 -1.52 0.00 8.97 0.00 0.58 -1.07 105.19 113.58 1tfx n GLY 36 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1tfx n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tfx n GLY 37 N 1.11 0.48 3.24 -0.02 0.00 -1.26 -1.75 105.19 106.98 1tfx n GLY 37 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1tfx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tfx n LEU 39 N 1.50 -2.83 0.00 0.00 4.77 -1.26 -3.84 117.00 115.34 1tfx n LEU 39 Ca -0.20 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1tfx n LEU 39 Cb 0.56 -2.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.13 1tfx n LEU 39 CO 0.21 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1tfx n GLY 40 N -1.71 1.75 3.31 -0.72 0.00 -1.26 -4.55 105.19 102.01 1tfx n GLY 40 Ca -0.30 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 43.72 1tfx n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1tfx n ASN 41 N 0.00 1.09 0.28 1.61 6.94 -1.26 -5.05 115.26 118.88 1tfx n ASN 41 Ca 0.00 -3.15 0.17 0.00 -0.02 0.00 0.00 54.58 51.58 1tfx n ASN 41 Cb 0.00 1.06 0.71 0.00 -2.36 0.00 0.00 39.78 39.20 1tfx n ASN 41 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 1tfx h MET 42 N 0.00 0.00 -3.93 -3.83 2.86 -1.96 -3.33 114.93 104.75 1tfx h MET 42 Ca -0.31 0.00 -0.71 0.00 -2.06 0.00 0.00 59.70 56.62 1tfx h MET 42 Cb 1.20 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.82 1tfx h MET 42 CO 0.49 0.01 3.10 -1.71 1.06 0.00 0.00 176.91 179.86 1tfx n ASN 43 N -3.11 4.15 -3.15 1.22 2.85 -1.26 -4.64 115.26 111.33 1tfx n ASN 43 Ca 0.00 -2.85 0.04 0.00 -0.11 0.00 0.00 54.58 51.67 1tfx n ASN 43 Cb 0.29 -1.64 -0.01 0.00 1.24 0.00 0.00 39.78 39.66 1tfx n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1tfx s ASN 44 N 3.01 -1.44 0.03 1.20 3.84 -1.25 -4.63 114.94 115.70 1tfx s ASN 44 Ca 0.48 0.61 0.09 0.00 0.21 0.00 0.00 52.86 54.24 1tfx s ASN 44 Cb 0.14 2.09 -0.03 0.00 -0.55 0.00 0.00 41.25 42.90 1tfx s ASN 44 CO -0.08 -0.27 -0.26 -0.36 -2.79 0.00 0.00 177.10 173.34 1tfx s PHE 45 N 2.85 2.29 -0.12 0.43 0.08 -0.41 -4.97 117.98 118.13 1tfx s PHE 45 Ca 0.17 -0.42 0.30 0.00 0.12 0.00 0.00 56.93 57.10 1tfx s PHE 45 Cb -0.13 -1.40 1.21 0.00 -0.57 0.00 0.00 43.02 42.13 1tfx s PHE 45 CO -0.23 0.08 1.88 0.93 -0.10 0.00 0.00 175.22 177.79 1tfx h GLU 46 N 4.96 0.00 -4.36 0.44 5.08 -1.93 -1.24 114.58 117.52 1tfx h GLU 46 Ca -0.45 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.73 1tfx h GLU 46 Cb 1.14 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.22 1tfx h GLU 46 CO 0.44 0.00 -0.70 0.95 -1.00 0.00 0.00 179.01 178.71 1tfx s THR 47 N -3.53 0.39 0.25 1.13 -4.23 -1.26 -4.85 115.64 103.53 1tfx s THR 47 Ca 0.02 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 59.00 1tfx s THR 47 Cb 0.09 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 1tfx s THR 47 CO 0.49 -0.80 1.57 0.25 -0.54 0.00 0.00 174.62 175.59 1tfx h LEU 48 N 3.52 0.17 0.60 4.79 5.85 -1.97 -2.99 115.31 125.28 1tfx h LEU 48 Ca -0.34 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 1tfx h LEU 48 Cb 1.17 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1tfx h LEU 48 CO 0.58 0.75 -0.30 -0.08 -0.34 0.00 0.00 178.44 179.05 1tfx h GLU 49 N 0.11 -0.79 -0.51 1.25 4.81 -1.98 -0.25 114.58 117.20 1tfx h GLU 49 Ca -0.01 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1tfx h GLU 49 Cb 1.12 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 30.58 1tfx h GLU 49 CO 0.09 -0.53 -0.33 0.93 -0.73 0.00 0.00 179.01 178.44 1tfx h GLU 50 N -0.82 -0.19 -0.27 1.92 5.08 -1.98 -0.17 114.58 118.15 1tfx h GLU 50 Ca -0.08 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1tfx h GLU 50 Cb 0.64 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 1tfx h GLU 50 CO 0.13 -0.13 -0.11 0.00 -1.00 0.00 0.00 179.01 177.90 1tfx h LYS 52 N -0.07 0.34 0.45 0.00 1.57 -0.29 -0.00 116.57 118.57 1tfx h LYS 52 Ca 0.14 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1tfx h LYS 52 Cb 0.28 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1tfx h LYS 52 CO -0.32 0.35 -0.22 -0.91 -0.57 0.00 0.00 179.45 177.79 1tfx h ASN 53 N 0.33 -0.51 0.02 0.86 2.35 0.03 0.26 115.58 118.93 1tfx h ASN 53 Ca 0.08 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1tfx h ASN 53 Cb 0.20 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1tfx h ASN 53 CO 0.00 -0.19 -0.01 0.40 -1.65 0.00 0.00 177.43 175.99 1tfx h ILE 54 N -0.86 1.38 0.05 2.81 2.04 -1.11 -2.29 117.51 119.53 1tfx h ILE 54 Ca -0.06 -1.27 -0.35 0.00 1.00 0.00 0.00 64.86 64.18 1tfx h ILE 54 Cb 0.57 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 1tfx h ILE 54 CO 0.10 0.32 -2.09 0.00 0.00 0.00 0.00 178.15 176.49 1tfx n GLU 56 N -3.22 0.00 0.00 0.00 1.02 -0.97 -4.91 120.64 112.56 1tfx n GLU 56 Ca -0.31 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1tfx n GLU 56 Cb 1.05 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1tfx n GLU 56 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1tfx n ASP 57 N -1.86 0.00 -0.50 1.62 5.75 0.86 -5.02 116.55 117.39 1tfx n ASP 57 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.84 1tfx n ASP 57 Cb 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.14 1tfx n ASP 57 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70