#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwx n VAL 2 N 0.00 1.73 -3.74 2.46 3.14 -1.26 -4.83 118.33 115.83 1bwx n VAL 2 Ca 0.00 -0.69 -0.28 0.00 -2.96 0.00 0.00 64.34 60.41 1bwx n VAL 2 Cb 0.00 -1.54 -0.16 0.00 -1.06 0.00 0.00 33.84 31.08 1bwx n VAL 2 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1bwx s SER 3 N -6.77 2.91 -0.24 6.55 1.04 -1.26 -5.01 113.70 110.93 1bwx s SER 3 Ca -0.18 -0.82 0.23 0.00 0.48 0.00 0.00 55.95 55.66 1bwx s SER 3 Cb 0.07 -0.61 0.50 0.00 0.10 0.00 0.00 66.02 66.08 1bwx s SER 3 CO 0.78 -0.30 1.13 -1.84 0.98 0.00 0.00 173.24 173.99 1bwx n GLU 4 N 5.04 1.56 -1.14 4.02 0.00 -1.26 -4.89 120.64 123.97 1bwx n GLU 4 Ca -0.09 -3.29 -0.17 0.00 0.00 0.00 0.00 57.16 53.61 1bwx n GLU 4 Cb 0.47 -1.39 0.22 0.00 0.00 0.00 0.00 31.44 30.74 1bwx n GLU 4 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 1bwx n ILE 5 N -0.54 3.09 -0.02 3.84 0.13 -1.26 -4.54 119.36 120.06 1bwx n ILE 5 Ca 0.06 -1.88 -0.15 0.00 -1.10 0.00 0.00 62.75 59.67 1bwx n ILE 5 Cb 0.83 -0.43 -0.10 0.00 -0.84 0.00 0.00 39.64 39.10 1bwx n ILE 5 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 1bwx h GLN 6 N 1.51 0.26 -0.25 9.51 7.50 -1.99 -1.87 115.11 129.79 1bwx h GLN 6 Ca 0.50 -0.24 -0.01 0.00 0.50 0.00 0.00 58.65 59.40 1bwx h GLN 6 Cb 2.65 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 30.23 1bwx h GLN 6 CO 0.96 0.92 0.11 1.25 -1.50 0.00 0.00 178.83 180.57 1bwx h LEU 7 N -0.31 0.33 -0.71 1.46 5.85 -1.93 -0.82 115.31 119.17 1bwx h LEU 7 Ca -0.03 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1bwx h LEU 7 Cb 1.01 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1bwx h LEU 7 CO 0.06 0.37 0.37 -0.03 -0.34 0.00 0.00 178.44 178.88 1bwx h MET 8 N 0.26 1.00 -0.42 1.25 4.05 -1.86 -2.54 114.93 116.67 1bwx h MET 8 Ca 0.08 -0.13 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 1bwx h MET 8 Cb 0.14 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.73 1bwx h MET 8 CO -0.01 0.76 -0.01 0.45 0.23 0.00 0.00 176.91 178.33 1bwx h HIS 9 N 0.98 0.73 -1.10 1.39 3.86 -1.13 -2.89 115.15 116.99 1bwx h HIS 9 Ca 0.25 -0.10 -0.55 0.00 -1.16 0.00 0.00 60.37 58.82 1bwx h HIS 9 Cb 0.06 -0.20 -0.21 0.00 1.06 0.00 0.00 27.41 28.12 1bwx h HIS 9 CO 0.00 0.70 0.63 0.09 0.86 0.00 0.00 177.93 180.21 1bwx n ASN 10 N -4.23 6.93 -2.97 2.45 3.02 -0.33 -4.05 115.26 116.08 1bwx n ASN 10 Ca 0.02 -3.41 -0.15 0.00 -0.03 0.00 0.00 54.58 51.01 1bwx n ASN 10 Cb 0.29 -1.11 -0.01 0.00 -0.61 0.00 0.00 39.78 38.34 1bwx n ASN 10 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1bwx n LEU 11 N 0.11 -1.65 -2.72 3.41 4.77 -1.09 -4.95 117.00 114.87 1bwx n LEU 11 Ca 0.48 -3.85 -0.11 0.00 -0.03 0.00 0.00 56.01 52.50 1bwx n LEU 11 Cb 0.51 0.73 0.05 0.00 -2.33 0.00 0.00 43.42 42.38 1bwx n LEU 11 CO 0.47 2.00 0.03 0.61 -1.33 0.00 0.00 177.39 179.17 1bwx n GLY 12 N 1.85 -0.47 0.12 -0.72 0.00 -1.26 -4.95 105.19 99.76 1bwx n GLY 12 Ca 0.16 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 1bwx n GLY 12 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bwx h LYS 13 N -0.85 0.28 -1.63 1.61 1.63 -1.83 -2.77 116.57 113.01 1bwx h LYS 13 Ca -0.42 -0.02 -0.69 0.00 -0.85 0.00 0.00 60.65 58.67 1bwx h LYS 13 Cb 1.22 -0.06 -0.33 0.00 -0.60 0.00 0.00 32.23 32.45 1bwx h LYS 13 CO 0.31 0.19 0.35 1.58 -3.45 0.00 0.00 179.45 178.43 1bwx n HIS 14 N -4.94 3.13 -2.84 1.91 -0.00 -1.26 -4.75 115.22 106.47 1bwx n HIS 14 Ca -0.03 -2.65 -0.02 0.00 0.46 0.00 0.00 57.72 55.48 1bwx n HIS 14 Cb 0.03 -0.81 0.01 0.00 -0.12 0.00 0.00 29.99 29.10 1bwx n HIS 14 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1bwx s LEU 15 N -3.85 -1.12 0.19 0.27 2.96 -1.04 -4.67 118.68 111.42 1bwx s LEU 15 Ca 0.52 -1.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 1bwx s LEU 15 Cb 0.43 1.46 0.00 0.00 0.50 0.00 0.00 46.19 48.58 1bwx s LEU 15 CO -0.26 -0.07 0.00 0.59 -1.32 0.00 0.00 176.35 175.29 1bwx n ASN 16 N 3.25 0.48 0.00 3.68 3.02 -1.26 -4.63 115.26 119.79 1bwx n ASN 16 Ca 0.14 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1bwx n ASN 16 Cb 0.59 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 1bwx n ASN 16 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1bwx n SER 17 N -3.46 0.00 0.19 6.41 2.88 -1.26 -4.51 113.62 113.87 1bwx n SER 17 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1bwx n SER 17 Cb 0.00 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 63.83 1bwx n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwx h MET 18 N 0.00 0.00 0.17 -1.46 -0.00 -1.99 -1.19 114.93 110.45 1bwx h MET 18 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 59.70 59.37 1bwx h MET 18 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.61 1bwx h MET 18 CO 0.00 0.38 -1.63 0.93 -0.00 0.00 0.00 176.91 176.59 1bwx h GLU 19 N 0.00 0.35 0.25 -0.10 3.07 -1.90 -2.88 114.58 113.38 1bwx h GLU 19 Ca -0.00 -0.61 -0.01 0.00 -0.50 0.00 0.00 59.36 58.24 1bwx h GLU 19 Cb 0.77 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1bwx h GLU 19 CO 0.05 1.25 -0.12 0.00 -1.40 0.00 0.00 179.01 178.79 1bwx h ARG 20 N 0.10 -0.33 -0.85 2.33 2.47 -1.76 -1.84 114.38 114.51 1bwx h ARG 20 Ca -0.29 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.50 1bwx h ARG 20 Cb 2.08 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 30.42 1bwx h ARG 20 CO 0.18 -0.16 0.55 -0.24 0.56 0.00 0.00 179.97 180.87 1bwx h VAL 21 N -0.43 1.11 -0.81 2.04 3.04 -1.36 -1.80 116.25 118.05 1bwx h VAL 21 Ca -0.03 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1bwx h VAL 21 Cb 0.32 0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 29.57 1bwx h VAL 21 CO 0.06 0.18 0.52 -0.08 -1.01 0.00 0.00 177.57 177.24 1bwx h GLU 22 N 1.01 1.07 -0.93 4.17 4.57 -1.22 -1.46 114.58 121.79 1bwx h GLU 22 Ca 0.34 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.53 1bwx h GLU 22 Cb 0.09 -0.24 -0.07 0.00 -0.16 0.00 0.00 28.75 28.37 1bwx h GLU 22 CO -0.11 0.72 0.58 2.35 -1.18 0.00 0.00 179.01 181.37 1bwx h TRP 23 N 1.10 1.07 -0.37 0.92 7.01 -0.49 0.23 115.95 125.41 1bwx h TRP 23 Ca 0.29 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.21 1bwx h TRP 23 Cb -0.10 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.61 1bwx h TRP 23 CO 0.00 0.50 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.89 1bwx h LEU 24 N 1.01 0.81 -0.43 0.65 -0.00 -1.26 -1.40 115.31 114.70 1bwx h LEU 24 Ca 0.43 -0.41 -0.05 0.00 -0.00 0.00 0.00 57.88 57.84 1bwx h LEU 24 Cb 0.28 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.70 1bwx h LEU 24 CO -0.21 1.05 0.05 0.03 -0.00 0.00 0.00 178.44 179.36 1bwx h ARG 25 N 0.58 0.72 0.00 1.13 -0.00 -0.61 0.27 114.38 116.47 1bwx h ARG 25 Ca 0.08 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.98 59.32 1bwx h ARG 25 Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.63 1bwx h ARG 25 CO 0.06 0.76 -0.20 0.87 0.00 0.00 0.00 179.97 181.46 1bwx h LYS 26 N 0.57 0.00 0.19 0.04 1.79 -0.54 -1.08 116.57 117.54 1bwx h LYS 26 Ca 0.13 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.25 1bwx h LYS 26 Cb 0.40 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1bwx h LYS 26 CO 0.01 0.20 -1.72 -0.22 -1.08 0.00 0.00 179.45 176.64 1bwx h LYS 27 N 0.00 0.40 -0.38 3.15 1.63 -0.84 -3.37 116.57 117.17 1bwx h LYS 27 Ca -0.00 -0.69 -0.14 0.00 -0.85 0.00 0.00 60.65 58.97 1bwx h LYS 27 Cb 0.43 0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 1bwx h LYS 27 CO 0.03 1.32 -0.31 1.25 -3.45 0.00 0.00 179.45 178.29 1bwx h LEU 28 N 0.11 0.87 -2.29 5.20 6.46 -0.31 -3.03 115.31 122.32 1bwx h LEU 28 Ca -0.33 -0.36 0.04 0.00 -0.12 0.00 0.00 57.88 57.11 1bwx h LEU 28 Cb 2.11 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.79 1bwx h LEU 28 CO 0.19 1.11 0.16 0.06 -0.62 0.00 0.00 178.44 179.34 1bwx h GLN 29 N 0.70 0.00 0.70 1.25 -0.00 -1.35 -0.69 115.11 115.72 1bwx h GLN 29 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.70 1bwx h GLN 29 Cb 0.86 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.34 1bwx h GLN 29 CO 0.08 0.00 -0.42 -0.44 -0.00 0.00 0.00 178.83 178.04 1bwx h ASP 30 N 0.00 -1.06 0.82 0.06 3.32 -1.68 -0.93 116.42 116.95 1bwx h ASP 30 Ca 0.06 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1bwx h ASP 30 Cb 0.39 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1bwx h ASP 30 CO -0.00 -0.66 -0.57 1.62 -1.72 0.00 0.00 179.24 177.90 1bwx h VAL 31 N -1.06 1.24 0.00 -1.35 3.04 -1.67 -3.08 116.25 113.37 1bwx h VAL 31 Ca -0.09 -2.09 -0.02 0.00 -1.01 0.00 0.00 66.70 63.48 1bwx h VAL 31 Cb 0.85 2.19 -0.00 0.00 -2.01 0.00 0.00 31.29 32.31 1bwx h VAL 31 CO 0.10 0.56 -0.11 -0.74 -1.01 0.00 0.00 177.57 176.37 1bwx h HIS 32 N 0.00 0.00 -0.79 3.17 6.17 -0.89 -3.10 115.15 119.72 1bwx h HIS 32 Ca -0.01 0.00 -0.42 0.00 0.71 0.00 0.00 60.37 60.66 1bwx h HIS 32 Cb 1.14 0.00 -0.15 0.00 2.52 0.00 0.00 27.41 30.92 1bwx h HIS 32 CO 0.00 0.11 0.24 -1.71 0.71 0.00 0.00 177.93 177.28 1bwx n ASN 33 N -3.74 6.22 -3.10 3.26 5.15 -0.38 -4.51 115.26 118.16 1bwx n ASN 33 Ca -0.02 -3.04 -0.22 0.00 -0.60 0.00 0.00 54.58 50.70 1bwx n ASN 33 Cb 0.22 -1.25 -0.04 0.00 -0.53 0.00 0.00 39.78 38.18 1bwx n ASN 33 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1bwx n PHE 34 N 1.14 1.67 0.04 1.20 3.01 -1.17 -4.89 117.46 118.46 1bwx n PHE 34 Ca 0.45 -3.88 0.00 0.00 1.01 0.00 0.00 57.45 55.03 1bwx n PHE 34 Cb 0.62 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1bwx n PHE 34 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1bwx n VAL 35 N 0.13 0.70 -3.54 -4.37 0.31 -1.26 -5.05 118.33 105.25 1bwx n VAL 35 Ca 0.27 0.23 -0.25 0.00 -0.01 0.00 0.00 64.34 64.58 1bwx n VAL 35 Cb 0.55 -1.22 0.05 0.00 -0.91 0.00 0.00 33.84 32.31 1bwx n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bwx n ALA 36 N -3.17 -1.22 -3.51 3.52 0.00 -1.26 -4.98 120.51 109.88 1bwx n ALA 36 Ca 0.00 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.66 1bwx n ALA 36 Cb 0.00 -4.84 -0.03 0.00 0.00 0.00 0.00 19.45 14.58 1bwx n ALA 36 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1bwx s LEU 37 N -7.14 -0.42 0.00 0.00 0.05 -1.26 -5.03 118.68 104.88 1bwx s LEU 37 Ca 0.54 0.16 0.00 0.00 0.05 0.00 0.00 54.13 54.88 1bwx s LEU 37 Cb -0.25 2.11 0.00 0.00 -2.05 0.00 0.00 46.19 46.00 1bwx s LEU 37 CO 0.67 -0.60 0.00 0.61 -0.55 0.00 0.00 176.35 176.48 1bwx n GLY 38 N 0.07 2.07 0.64 -3.48 0.00 -1.26 -5.22 105.19 98.01 1bwx n GLY 38 Ca -0.11 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.69 1bwx n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32