#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwx s VAL 2 N 0.00 1.84 -0.01 -3.33 1.01 -1.26 -5.13 120.40 113.52 1bwx s VAL 2 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1bwx s VAL 2 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1bwx s VAL 2 CO 0.00 0.50 0.07 -0.94 0.00 0.00 0.00 175.10 174.74 1bwx s SER 3 N 1.37 5.65 -1.48 3.32 1.04 -1.26 -4.51 113.70 117.83 1bwx s SER 3 Ca 0.05 0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.56 1bwx s SER 3 Cb -0.13 -1.62 0.01 0.00 0.10 0.00 0.00 66.02 64.39 1bwx s SER 3 CO -0.12 0.28 0.84 -0.62 0.98 0.00 0.00 173.24 174.60 1bwx n GLU 4 N 1.26 -6.01 -0.25 4.02 4.71 -1.26 -4.91 120.64 118.21 1bwx n GLU 4 Ca -0.14 0.85 -0.06 0.00 -0.01 0.00 0.00 57.16 57.80 1bwx n GLU 4 Cb 0.53 -5.78 0.05 0.00 -1.01 0.00 0.00 31.44 25.23 1bwx n GLU 4 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1bwx h ILE 5 N -1.89 1.22 -0.09 -3.67 2.10 -2.01 -2.41 117.51 110.74 1bwx h ILE 5 Ca -0.54 -0.57 -0.17 0.00 1.08 0.00 0.00 64.86 64.65 1bwx h ILE 5 Cb 1.37 0.34 -0.01 0.00 -1.09 0.00 0.00 36.82 37.43 1bwx h ILE 5 CO 0.57 0.25 -0.68 1.56 -1.08 0.00 0.00 178.15 178.77 1bwx h GLN 6 N 0.95 0.40 -0.33 2.19 1.08 -1.97 -2.47 115.11 114.96 1bwx h GLN 6 Ca 0.24 -0.30 0.06 0.00 -1.45 0.00 0.00 58.65 57.20 1bwx h GLN 6 Cb 0.06 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.49 1bwx h GLN 6 CO -0.04 0.93 -0.03 1.25 -0.95 0.00 0.00 178.83 179.99 1bwx h LEU 7 N 0.28 -0.20 -0.68 1.46 6.46 -1.85 -0.24 115.31 120.55 1bwx h LEU 7 Ca -0.02 0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.71 1bwx h LEU 7 Cb 1.23 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.31 1bwx h LEU 7 CO 0.12 -0.06 -0.21 0.24 -0.62 0.00 0.00 178.44 177.91 1bwx h MET 8 N 0.06 0.81 0.00 1.25 2.86 -1.44 -2.81 114.93 115.65 1bwx h MET 8 Ca 0.16 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1bwx h MET 8 Cb 0.23 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1bwx h MET 8 CO -0.30 0.94 -0.06 0.45 1.06 0.00 0.00 176.91 179.01 1bwx h HIS 9 N 0.71 0.00 -0.07 -0.22 3.86 -0.79 -2.55 115.15 116.08 1bwx h HIS 9 Ca 0.10 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.10 1bwx h HIS 9 Cb 0.72 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1bwx h HIS 9 CO 0.04 0.06 -0.83 -0.91 0.86 0.00 0.00 177.93 177.15 1bwx h ASN 10 N 0.00 0.67 -7.03 2.45 2.35 -0.81 -3.48 115.58 109.72 1bwx h ASN 10 Ca -0.00 -0.47 -0.41 0.00 -0.55 0.00 0.00 56.30 54.86 1bwx h ASN 10 Cb 0.13 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1bwx h ASN 10 CO 0.01 1.25 -0.69 0.00 -1.65 0.00 0.00 177.43 176.35 1bwx n LEU 11 N -3.84 -0.14 0.00 1.61 -0.00 -0.96 -2.28 117.00 111.38 1bwx n LEU 11 Ca -0.06 -0.89 0.00 0.00 -0.00 0.00 0.00 56.01 55.05 1bwx n LEU 11 Cb 0.77 -1.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 1bwx n LEU 11 CO 0.51 0.54 0.00 0.61 -0.00 0.00 0.00 177.39 179.05 1bwx n GLY 12 N -1.78 2.24 0.13 1.47 0.00 -1.26 -4.95 105.19 101.03 1bwx n GLY 12 Ca -0.09 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.51 1bwx n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bwx h LYS 13 N 0.00 0.00 0.03 1.61 1.57 -1.83 -3.36 116.57 114.59 1bwx h LYS 13 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1bwx h LYS 13 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1bwx h LYS 13 CO 0.00 0.59 -2.04 1.58 -0.57 0.00 0.00 179.45 179.00 1bwx n HIS 14 N -3.34 0.57 -2.84 -1.35 -0.00 -1.26 -5.08 115.22 101.92 1bwx n HIS 14 Ca 0.01 0.19 -0.04 0.00 0.46 0.00 0.00 57.72 58.33 1bwx n HIS 14 Cb 0.73 -1.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.54 1bwx n HIS 14 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1bwx n LEU 15 N -3.94 -7.36 0.10 0.27 4.77 -1.26 -4.96 117.00 104.62 1bwx n LEU 15 Ca -0.42 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1bwx n LEU 15 Cb 0.88 -3.13 0.00 0.00 -2.33 0.00 0.00 43.42 38.84 1bwx n LEU 15 CO 0.21 -2.67 0.00 0.59 -1.33 0.00 0.00 177.39 174.19 1bwx n ASN 16 N 0.43 -0.42 0.00 -1.43 3.02 -1.26 -4.54 115.26 111.05 1bwx n ASN 16 Ca 0.03 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1bwx n ASN 16 Cb 0.21 0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 1bwx n ASN 16 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1bwx n SER 17 N -3.14 0.00 0.17 6.41 3.41 -1.26 -4.42 113.62 114.79 1bwx n SER 17 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1bwx n SER 17 Cb 0.00 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.23 1bwx n SER 17 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1bwx h MET 18 N 0.00 0.00 -0.10 4.33 1.85 -1.98 -2.78 114.93 116.25 1bwx h MET 18 Ca 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.02 1bwx h MET 18 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1bwx h MET 18 CO 0.00 0.46 -0.22 0.93 -0.40 0.00 0.00 176.91 177.69 1bwx h GLU 19 N 0.00 0.32 0.71 0.39 5.08 -1.94 -2.99 114.58 116.15 1bwx h GLU 19 Ca -0.00 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1bwx h GLU 19 Cb 0.97 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.25 1bwx h GLU 19 CO 0.06 0.81 -0.34 -0.09 -1.00 0.00 0.00 179.01 178.45 1bwx h ARG 20 N -0.14 -0.92 -1.04 2.33 2.43 -1.76 -2.68 114.38 112.61 1bwx h ARG 20 Ca 0.00 0.06 0.27 0.00 -0.81 0.00 0.00 59.98 59.50 1bwx h ARG 20 Cb 0.81 0.21 -0.12 0.00 -0.42 0.00 0.00 29.97 30.46 1bwx h ARG 20 CO 0.05 -0.59 0.63 -0.24 -1.51 0.00 0.00 179.97 178.31 1bwx h VAL 21 N -1.03 0.49 -0.56 0.20 3.04 -1.61 0.18 116.25 116.96 1bwx h VAL 21 Ca -0.10 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 65.40 1bwx h VAL 21 Cb 0.75 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.99 1bwx h VAL 21 CO 0.16 0.08 0.23 -0.33 -1.01 0.00 0.00 177.57 176.70 1bwx h GLU 22 N 0.46 0.83 -0.51 4.17 3.07 -1.35 0.11 114.58 121.36 1bwx h GLU 22 Ca 0.65 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 59.33 1bwx h GLU 22 Cb 1.45 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.20 1bwx h GLU 22 CO -0.42 0.71 0.22 2.35 -1.40 0.00 0.00 179.01 180.47 1bwx h TRP 23 N 0.76 0.76 -0.57 4.33 7.01 -0.38 -2.47 115.95 125.40 1bwx h TRP 23 Ca 0.19 -0.05 -0.08 0.00 2.11 0.00 0.00 58.89 61.05 1bwx h TRP 23 Cb 0.19 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1bwx h TRP 23 CO 0.01 0.62 0.03 -0.07 -2.79 0.00 0.00 178.44 176.24 1bwx h LEU 24 N 0.68 0.93 -0.66 0.65 -0.00 -0.82 -1.59 115.31 114.50 1bwx h LEU 24 Ca 0.17 -0.24 0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1bwx h LEU 24 Cb 0.17 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.54 1bwx h LEU 24 CO -0.02 0.97 0.41 0.03 -0.00 0.00 0.00 178.44 179.83 1bwx h ARG 25 N 0.89 0.78 -0.58 1.13 3.08 -0.53 -1.51 114.38 117.65 1bwx h ARG 25 Ca 0.17 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1bwx h ARG 25 Cb 0.48 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1bwx h ARG 25 CO 0.02 0.51 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.19 1bwx h LYS 26 N 0.80 1.03 -0.78 0.04 1.63 -1.23 -2.80 116.57 115.27 1bwx h LYS 26 Ca 0.27 -0.34 0.10 0.00 -0.85 0.00 0.00 60.65 59.83 1bwx h LYS 26 Cb 0.03 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.52 1bwx h LYS 26 CO -0.11 1.03 0.51 -0.22 -3.45 0.00 0.00 179.45 177.21 1bwx h LYS 27 N 0.92 0.66 -0.95 1.90 1.63 -0.36 -0.84 116.57 119.53 1bwx h LYS 27 Ca 0.16 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1bwx h LYS 27 Cb 0.58 -0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.02 1bwx h LYS 27 CO 0.03 0.44 0.60 -0.07 -3.45 0.00 0.00 179.45 177.00 1bwx h LEU 28 N 0.68 1.11 -0.52 5.20 3.38 -1.03 0.57 115.31 124.71 1bwx h LEU 28 Ca 0.36 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 1bwx h LEU 28 Cb 0.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1bwx h LEU 28 CO -0.14 0.83 -0.42 1.56 0.09 0.00 0.00 178.44 180.36 1bwx h GLN 29 N 1.29 0.74 -0.06 1.13 7.50 -1.22 -0.54 115.11 123.96 1bwx h GLN 29 Ca 0.34 -0.40 -0.00 0.00 0.50 0.00 0.00 58.65 59.09 1bwx h GLN 29 Cb -0.10 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.44 1bwx h GLN 29 CO -0.07 1.02 0.02 -0.44 -1.50 0.00 0.00 178.83 177.86 1bwx h ASP 30 N 0.60 0.08 -0.89 1.46 3.32 -0.66 -1.76 116.42 118.56 1bwx h ASP 30 Ca 0.04 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1bwx h ASP 30 Cb 0.97 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 1bwx h ASP 30 CO 0.09 0.22 0.56 0.58 -1.72 0.00 0.00 179.24 178.97 1bwx h VAL 31 N -0.07 1.24 -0.51 -1.35 2.07 -0.87 -1.79 116.25 114.97 1bwx h VAL 31 Ca 0.02 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.11 1bwx h VAL 31 Cb 0.17 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.85 1bwx h VAL 31 CO -0.00 0.25 0.21 -0.74 0.02 0.00 0.00 177.57 177.31 1bwx h HIS 32 N 1.22 0.38 -1.37 1.57 6.17 -0.81 -2.24 115.15 120.07 1bwx h HIS 32 Ca 0.32 0.02 -0.69 0.00 0.71 0.00 0.00 60.37 60.73 1bwx h HIS 32 Cb -0.08 -0.09 -0.31 0.00 2.52 0.00 0.00 27.41 29.45 1bwx h HIS 32 CO -0.00 0.14 0.66 0.09 0.71 0.00 0.00 177.93 179.53 1bwx n ASN 33 N -4.96 7.15 -0.02 3.26 3.02 -0.69 -3.22 115.26 119.80 1bwx n ASN 33 Ca 0.05 -3.80 -0.05 0.00 -0.03 0.00 0.00 54.58 50.75 1bwx n ASN 33 Cb 0.19 -0.91 -0.02 0.00 -0.61 0.00 0.00 39.78 38.43 1bwx n ASN 33 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1bwx n PHE 34 N -0.73 0.00 0.00 3.10 -0.00 -0.72 -4.96 117.46 114.15 1bwx n PHE 34 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 58.01 1bwx n PHE 34 Cb 0.54 -0.26 0.00 0.00 -0.00 0.00 0.00 39.48 39.76 1bwx n PHE 34 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1bwx n VAL 35 N -3.92 0.00 -3.82 -2.13 0.24 -1.26 -5.09 118.33 102.36 1bwx n VAL 35 Ca -0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 1bwx n VAL 35 Cb 0.28 -0.59 -0.13 0.00 -1.47 0.00 0.00 33.84 31.93 1bwx n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bwx s ALA 36 N -1.76 -0.24 -1.24 2.33 0.00 -1.26 -5.08 121.76 114.50 1bwx s ALA 36 Ca 0.00 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.16 1bwx s ALA 36 Cb 0.00 -0.23 0.11 0.00 0.00 0.00 0.00 23.12 23.00 1bwx s ALA 36 CO 0.00 -0.07 1.60 -0.51 0.00 0.00 0.00 175.76 176.77 1bwx s LEU 37 N 0.31 4.28 -0.08 0.00 1.43 -1.20 -4.62 118.68 118.79 1bwx s LEU 37 Ca -0.02 -2.56 -0.11 0.00 -1.03 0.00 0.00 54.13 50.40 1bwx s LEU 37 Cb -0.03 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1bwx s LEU 37 CO -0.01 -1.04 -0.22 0.61 0.23 0.00 0.00 176.35 175.91 1bwx n GLY 38 N 5.05 -0.36 0.00 -3.19 0.00 -1.26 -5.09 105.19 100.34 1bwx n GLY 38 Ca 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1bwx n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32