#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 0.33 0.38 1.97 0.02 -1.26 -4.93 135.00 131.51 1tfx s PRO 2 Ca 0.00 1.06 0.06 0.00 0.02 0.00 0.00 61.00 62.14 1tfx s PRO 2 Cb 0.00 -1.68 0.76 0.00 0.02 0.00 0.00 34.50 33.59 1tfx s PRO 2 CO 0.00 -2.95 2.00 -0.44 -0.33 0.00 0.00 177.00 175.28 1tfx h ASP 3 N -2.07 0.51 0.15 2.53 3.32 -2.03 -2.58 116.42 116.24 1tfx h ASP 3 Ca -0.52 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1tfx h ASP 3 Cb 1.30 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1tfx h ASP 3 CO 0.49 0.43 0.00 2.22 -1.72 0.00 0.00 179.24 180.66 1tfx n PHE 4 N -4.41 0.04 0.46 4.55 1.16 -1.26 -0.96 117.46 117.03 1tfx n PHE 4 Ca 0.03 0.02 0.12 0.00 -1.87 0.00 0.00 57.45 55.75 1tfx n PHE 4 Cb 0.11 -0.53 0.47 0.00 -1.61 0.00 0.00 39.48 37.93 1tfx n PHE 4 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1tfx n PHE 6 N -2.26 0.04 -1.85 0.00 3.72 -0.14 -4.60 117.46 112.38 1tfx n PHE 6 Ca 0.03 0.01 -0.39 0.00 -0.05 0.00 0.00 57.45 57.05 1tfx n PHE 6 Cb 0.29 -0.15 0.03 0.00 -0.94 0.00 0.00 39.48 38.70 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 -3.33 3.94 0.70 4.37 1.43 -1.09 -4.93 118.68 119.77 1tfx s LEU 7 Ca 0.06 2.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.79 1tfx s LEU 7 Cb 0.16 -4.18 0.01 0.00 0.03 0.00 0.00 46.19 42.20 1tfx s LEU 7 CO 0.85 -1.39 1.06 -1.61 0.23 0.00 0.00 176.35 175.49 1tfx s GLU 8 N -2.76 2.93 0.20 1.70 2.02 -1.26 -4.86 118.70 116.66 1tfx s GLU 8 Ca 0.68 0.84 -0.30 0.00 0.02 0.00 0.00 54.97 56.21 1tfx s GLU 8 Cb -0.40 -2.00 -0.09 0.00 0.10 0.00 0.00 34.13 31.74 1tfx s GLU 8 CO 0.48 -1.08 1.38 -1.83 0.02 0.00 0.00 175.26 174.23 1tfx s GLU 9 N -5.10 4.33 -0.18 1.61 -1.05 -1.26 -4.90 118.70 112.15 1tfx s GLU 9 Ca 0.58 2.15 -0.05 0.00 -0.15 0.00 0.00 54.97 57.50 1tfx s GLU 9 Cb -0.13 -3.18 0.06 0.00 -0.44 0.00 0.00 34.13 30.44 1tfx s GLU 9 CO 0.55 -0.36 0.08 0.34 0.95 0.00 0.00 175.26 176.82 1tfx s ASP 10 N 0.53 2.44 0.00 0.83 2.15 -1.26 -5.02 116.67 116.34 1tfx s ASP 10 Ca 0.60 -0.65 0.12 0.00 0.43 0.00 0.00 52.55 53.04 1tfx s ASP 10 Cb -0.39 -0.29 0.52 0.00 -0.30 0.00 0.00 42.92 42.46 1tfx s ASP 10 CO 0.38 -0.35 1.38 -2.65 -0.17 0.00 0.00 175.17 173.76 1tfx n PRO 11 N 5.25 0.01 0.00 4.34 -0.02 -1.26 -4.51 135.00 138.81 1tfx n PRO 11 Ca -0.07 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1tfx n PRO 11 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1tfx n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tfx n GLY 12 N -0.27 -1.86 0.00 -1.23 0.00 -1.26 -0.81 105.19 99.76 1tfx n GLY 12 Ca 0.03 -1.49 0.08 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 0.00 -1.70 -0.61 -5.35 -1.26 -4.90 119.36 105.54 1tfx n ILE 13 Ca 0.00 -0.27 -0.33 0.00 -0.27 0.00 0.00 62.75 61.88 1tfx n ILE 13 Cb 0.00 0.48 0.05 0.00 -1.74 0.00 0.00 39.64 38.44 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 -2.51 2.83 -2.97 0.00 1.74 -1.25 -4.41 116.66 110.08 1tfx n ARG 15 Ca 0.11 -3.52 -0.18 0.00 -0.77 0.00 0.00 57.85 53.49 1tfx n ARG 15 Cb 0.52 -2.28 0.02 0.00 -1.02 0.00 0.00 32.46 29.70 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 -1.76 1.90 -0.51 -0.13 0.00 0.39 -5.06 107.32 102.15 1tfx s GLY 16 Ca 0.58 -1.70 0.07 0.00 0.00 0.00 0.00 44.72 43.67 1tfx s GLY 16 CO -0.18 -1.47 0.75 2.98 0.00 0.00 0.00 173.10 175.18 1tfx n TYR 17 N -1.97 2.16 -3.63 1.90 9.36 -1.25 -4.17 117.16 119.56 1tfx n TYR 17 Ca 0.09 -3.91 -0.37 0.00 3.32 0.00 0.00 57.90 57.03 1tfx n TYR 17 Cb 0.59 -0.47 -0.07 0.00 -0.63 0.00 0.00 39.34 38.77 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 -2.74 5.30 -0.07 2.97 1.01 -0.60 -4.91 121.20 122.17 1tfx s ILE 18 Ca 0.41 0.50 -0.28 0.00 0.00 0.00 0.00 60.65 61.28 1tfx s ILE 18 Cb 0.23 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1tfx s ILE 18 CO -0.08 0.50 0.90 -0.89 0.00 0.00 0.00 174.94 175.36 1tfx s THR 19 N -0.27 4.89 0.27 2.92 2.01 -1.26 0.34 115.64 124.53 1tfx s THR 19 Ca 0.17 1.85 0.02 0.00 0.31 0.00 0.00 61.69 64.04 1tfx s THR 19 Cb -0.13 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 1tfx s THR 19 CO 0.06 0.12 0.24 -0.13 -0.69 0.00 0.00 174.62 174.21 1tfx s ARG 20 N 1.39 1.52 0.13 4.92 1.81 -0.62 -4.91 118.95 123.18 1tfx s ARG 20 Ca 0.46 -1.80 0.07 0.00 -1.72 0.00 0.00 55.73 52.73 1tfx s ARG 20 Cb -0.19 0.32 -0.04 0.00 -0.45 0.00 0.00 34.95 34.59 1tfx s ARG 20 CO 0.21 -0.55 -0.16 0.71 -0.68 0.00 0.00 175.30 174.83 1tfx s TYR 21 N -3.75 1.53 0.04 -0.53 1.51 -0.22 -0.51 117.35 115.42 1tfx s TYR 21 Ca 0.39 -0.51 -0.10 0.00 -1.01 0.00 0.00 57.07 55.84 1tfx s TYR 21 Cb 0.04 -0.80 0.01 0.00 -0.11 0.00 0.00 41.96 41.10 1tfx s TYR 21 CO 0.20 0.19 0.21 -0.59 -1.11 0.00 0.00 175.55 174.45 1tfx s PHE 22 N -1.93 0.03 -0.54 2.71 -0.71 -0.11 -0.35 117.98 117.08 1tfx s PHE 22 Ca 0.09 -0.23 -0.22 0.00 -1.04 0.00 0.00 56.93 55.53 1tfx s PHE 22 Cb -0.06 -0.01 0.05 0.00 -1.21 0.00 0.00 43.02 41.79 1tfx s PHE 22 CO 0.04 -0.44 0.84 -0.47 -1.34 0.00 0.00 175.22 173.85 1tfx s TYR 23 N -2.51 2.88 -0.41 3.49 5.04 -1.26 -0.48 117.35 124.09 1tfx s TYR 23 Ca -0.05 -0.19 -0.28 0.00 -2.44 0.00 0.00 57.07 54.10 1tfx s TYR 23 Cb -0.01 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.40 1tfx s TYR 23 CO -0.04 -1.25 1.54 1.21 -1.34 0.00 0.00 175.55 175.68 1tfx s ASN 24 N 2.80 6.14 0.00 4.32 3.84 -0.30 -4.80 114.94 126.94 1tfx s ASN 24 Ca 0.25 0.88 0.00 0.00 0.21 0.00 0.00 52.86 54.20 1tfx s ASN 24 Cb -0.15 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.02 1tfx s ASN 24 CO 0.17 -1.58 0.61 -0.46 -2.79 0.00 0.00 177.10 173.04 1tfx n ASN 25 N 9.49 1.50 -0.02 -4.21 0.23 -1.26 -0.19 115.26 120.80 1tfx n ASN 25 Ca 0.18 -1.85 -0.03 0.00 -0.53 0.00 0.00 54.58 52.36 1tfx n ASN 25 Cb 0.48 -0.46 -0.02 0.00 -2.08 0.00 0.00 39.78 37.70 1tfx n ASN 25 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1tfx n GLN 26 N 0.19 1.05 0.00 -3.83 6.02 -1.26 -4.55 117.38 115.00 1tfx n GLN 26 Ca 0.00 0.02 0.11 0.00 -0.01 0.00 0.00 57.00 57.12 1tfx n GLN 26 Cb 0.30 -1.08 0.04 0.00 1.02 0.00 0.00 30.24 30.52 1tfx n GLN 26 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1tfx n THR 27 N -2.48 0.00 -4.05 5.09 -2.24 -1.09 -4.97 114.28 104.53 1tfx n THR 27 Ca -0.07 -0.36 -0.31 0.00 -2.27 0.00 0.00 64.05 61.04 1tfx n THR 27 Cb 0.59 1.35 -0.01 0.00 -2.10 0.00 0.00 70.33 70.16 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 0.53 -3.95 -3.70 -0.78 4.76 0.73 -4.94 118.16 110.79 1tfx n LYS 28 Ca 0.11 0.46 -0.14 0.00 -2.87 0.00 0.00 58.31 55.86 1tfx n LYS 28 Cb 0.51 -5.09 -0.09 0.00 -1.84 0.00 0.00 35.03 28.53 1tfx n LYS 28 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1tfx s GLN 29 N -6.71 0.67 -0.08 1.97 0.74 -0.99 -4.99 119.66 110.26 1tfx s GLN 29 Ca 0.52 0.23 -0.30 0.00 0.05 0.00 0.00 55.36 55.87 1tfx s GLN 29 Cb -0.28 0.31 -0.03 0.00 1.10 0.00 0.00 33.01 34.11 1tfx s GLN 29 CO 0.89 -0.15 1.31 0.00 -0.55 0.00 0.00 175.29 176.78 1tfx s GLU 31 N 2.85 1.67 -0.01 0.00 2.02 0.37 -4.91 118.70 120.69 1tfx s GLU 31 Ca 0.59 -1.82 -0.17 0.00 0.02 0.00 0.00 54.97 53.59 1tfx s GLU 31 Cb -0.26 -1.56 -0.06 0.00 0.10 0.00 0.00 34.13 32.35 1tfx s GLU 31 CO 0.21 0.19 0.46 0.50 0.02 0.00 0.00 175.26 176.64 1tfx s ARG 32 N -3.60 4.08 0.22 1.61 3.52 -1.26 -0.94 118.95 122.58 1tfx s ARG 32 Ca 0.30 0.51 0.00 0.00 -0.13 0.00 0.00 55.73 56.41 1tfx s ARG 32 Cb -0.00 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1tfx s ARG 32 CO 0.14 0.56 0.15 -0.59 -0.81 0.00 0.00 175.30 174.76 1tfx s PHE 33 N -0.72 1.26 -0.23 5.12 -0.71 0.33 -4.94 117.98 118.08 1tfx s PHE 33 Ca 0.26 -1.42 -0.08 0.00 -1.04 0.00 0.00 56.93 54.64 1tfx s PHE 33 Cb -0.17 -0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 41.01 1tfx s PHE 33 CO 0.14 -0.67 0.09 0.15 -1.34 0.00 0.00 175.22 173.59 1tfx s LYS 34 N -4.05 3.82 -0.14 1.99 -0.14 -1.26 -1.59 119.74 118.37 1tfx s LYS 34 Ca 0.39 -0.40 -0.12 0.00 -1.36 0.00 0.00 55.97 54.48 1tfx s LYS 34 Cb 0.06 -3.33 -0.05 0.00 -1.68 0.00 0.00 37.83 32.83 1tfx s LYS 34 CO 0.14 -0.01 0.26 -0.47 -0.76 0.00 0.00 175.35 174.51 1tfx s TYR 35 N 1.16 3.51 0.32 3.18 5.04 0.15 -4.57 117.35 126.15 1tfx s TYR 35 Ca 0.05 0.60 0.08 0.00 -2.44 0.00 0.00 57.07 55.36 1tfx s TYR 35 Cb -0.14 -2.25 0.54 0.00 0.35 0.00 0.00 41.96 40.47 1tfx s TYR 35 CO 0.04 0.38 1.75 0.78 -1.34 0.00 0.00 175.55 177.16 1tfx h GLY 36 N 6.15 0.23 0.00 8.97 0.00 -1.14 -1.59 103.07 115.69 1tfx h GLY 36 Ca -0.45 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1tfx h GLY 36 CO 0.71 0.18 0.00 0.61 0.00 0.00 0.00 176.54 178.04 1tfx n GLY 37 N -0.34 1.16 3.38 4.60 0.00 -1.26 -0.46 105.19 112.27 1tfx n GLY 37 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.12 -1.25 0.00 0.00 4.77 -1.26 -4.10 117.00 115.05 1tfx n LEU 39 Ca -0.17 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 1tfx n LEU 39 Cb 0.63 -1.77 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1tfx n LEU 39 CO 0.16 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1tfx n GLY 40 N -2.37 1.18 3.25 -0.72 0.00 -1.26 -4.48 105.19 100.79 1tfx n GLY 40 Ca -0.30 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.09 1tfx n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tfx s ASN 41 N -1.00 0.95 0.59 1.61 2.20 -1.26 -5.00 114.94 113.03 1tfx s ASN 41 Ca 0.00 -1.56 0.36 0.00 -0.94 0.00 0.00 52.86 50.73 1tfx s ASN 41 Cb 0.00 0.45 1.82 0.00 -2.00 0.00 0.00 41.25 41.52 1tfx s ASN 41 CO 0.00 -0.93 2.17 0.24 -2.94 0.00 0.00 177.10 175.64 1tfx h MET 42 N 2.37 0.00 -3.46 3.55 2.86 -1.96 -3.28 114.93 115.01 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 1.24 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.86 1tfx h MET 42 CO 0.47 0.03 3.14 -1.71 1.06 0.00 0.00 176.91 179.90 1tfx n ASN 43 N -3.25 6.06 -3.27 1.22 5.15 -1.25 -4.61 115.26 115.32 1tfx n ASN 43 Ca -0.02 -2.82 -0.06 0.00 -0.60 0.00 0.00 54.58 51.08 1tfx n ASN 43 Cb 0.19 -1.57 -0.05 0.00 -0.53 0.00 0.00 39.78 37.82 1tfx n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1tfx s ASN 44 N 2.23 -0.11 0.04 1.20 2.47 -1.24 -4.54 114.94 114.99 1tfx s ASN 44 Ca 0.54 -0.19 0.05 0.00 0.42 0.00 0.00 52.86 53.68 1tfx s ASN 44 Cb 0.15 1.34 -0.03 0.00 -1.45 0.00 0.00 41.25 41.26 1tfx s ASN 44 CO -0.07 -0.34 -0.11 -0.36 -3.72 0.00 0.00 177.10 172.51 1tfx s PHE 45 N 2.62 2.75 0.08 0.43 0.08 0.53 -4.94 117.98 119.52 1tfx s PHE 45 Ca 0.10 -0.14 0.27 0.00 0.12 0.00 0.00 56.93 57.28 1tfx s PHE 45 Cb -0.12 -1.51 1.00 0.00 -0.57 0.00 0.00 43.02 41.82 1tfx s PHE 45 CO -0.28 0.35 1.85 0.93 -0.10 0.00 0.00 175.22 177.97 1tfx h GLU 46 N 4.26 0.00 -4.59 0.44 5.08 -1.92 -0.55 114.58 117.30 1tfx h GLU 46 Ca -0.48 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.67 1tfx h GLU 46 Cb 1.16 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 1tfx h GLU 46 CO 0.51 0.14 -0.69 0.95 -1.00 0.00 0.00 179.01 178.93 1tfx s THR 47 N -3.61 0.58 0.20 1.13 -4.23 -1.26 -4.82 115.64 103.63 1tfx s THR 47 Ca 0.01 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1tfx s THR 47 Cb 0.09 -1.72 0.01 0.00 1.34 0.00 0.00 72.50 72.22 1tfx s THR 47 CO 0.61 -0.83 1.58 0.25 -0.54 0.00 0.00 174.62 175.69 1tfx h LEU 48 N 2.96 0.77 0.16 4.79 5.85 -1.97 -3.09 115.31 124.79 1tfx h LEU 48 Ca -0.35 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.06 1tfx h LEU 48 Cb 1.17 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1tfx h LEU 48 CO 0.64 1.03 -0.25 -0.08 -0.34 0.00 0.00 178.44 179.45 1tfx h GLU 49 N 0.63 -0.46 -0.13 1.25 4.81 -1.99 -1.22 114.58 117.46 1tfx h GLU 49 Ca 0.07 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1tfx h GLU 49 Cb 0.84 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.26 1tfx h GLU 49 CO 0.07 -0.31 -0.46 0.93 -0.73 0.00 0.00 179.01 178.51 1tfx h GLU 50 N -0.48 -0.50 -0.47 1.92 5.08 -1.97 -1.23 114.58 116.92 1tfx h GLU 50 Ca 0.02 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1tfx h GLU 50 Cb 0.48 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.76 1tfx h GLU 50 CO -0.12 -0.34 -0.08 0.00 -1.00 0.00 0.00 179.01 177.48 1tfx h LYS 52 N 0.04 0.47 -0.71 0.00 1.57 -0.80 0.13 116.57 117.26 1tfx h LYS 52 Ca 0.23 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.08 1tfx h LYS 52 Cb 0.35 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 1tfx h LYS 52 CO -0.45 0.31 0.34 -0.91 -0.57 0.00 0.00 179.45 178.17 1tfx h ASN 53 N 0.48 0.42 0.16 0.86 2.35 0.00 -1.07 115.58 118.78 1tfx h ASN 53 Ca 0.16 0.07 -0.30 0.00 -0.55 0.00 0.00 56.30 55.68 1tfx h ASN 53 Cb 0.01 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.39 1tfx h ASN 53 CO -0.08 0.23 -1.46 0.40 -1.65 0.00 0.00 177.43 174.87 1tfx h ILE 54 N 0.57 1.08 0.00 2.81 2.04 -0.85 -3.39 117.51 119.77 1tfx h ILE 54 Ca 0.36 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1tfx h ILE 54 Cb 0.41 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 1tfx h ILE 54 CO -0.29 0.77 -1.16 0.00 0.00 0.00 0.00 178.15 177.47 1tfx n GLU 56 N -1.67 0.00 0.00 0.00 1.02 -0.48 -4.95 120.64 114.56 1tfx n GLU 56 Ca -0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1tfx n GLU 56 Cb 0.27 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.46 1tfx n GLU 56 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1tfx n ASP 57 N -1.92 0.00 0.00 1.62 2.03 -0.74 -5.05 116.55 112.49 1tfx n ASP 57 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1tfx n ASP 57 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1tfx n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89