#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bdv s PRO 8 N 0.00 3.75 0.53 0.03 0.02 -1.26 -4.97 135.00 133.10 1bdv s PRO 8 Ca 0.00 2.43 -0.17 0.00 0.02 0.00 0.00 61.00 63.28 1bdv s PRO 8 Cb 0.00 -2.70 -0.07 0.00 0.02 0.00 0.00 34.50 31.75 1bdv s PRO 8 CO 0.00 -0.77 1.01 -0.65 -0.33 0.00 0.00 177.00 176.26 1bdv s GLN 9 N -2.39 3.78 -0.10 5.54 -0.21 -1.26 -5.06 119.66 119.96 1bdv s GLN 9 Ca 0.60 1.09 -0.00 0.00 0.02 0.00 0.00 55.36 57.07 1bdv s GLN 9 Cb -0.44 -2.11 0.02 0.00 1.00 0.00 0.00 33.01 31.49 1bdv s GLN 9 CO 0.57 -0.42 -0.07 0.08 -2.12 0.00 0.00 175.29 173.33 1bdv s VAL 10 N -2.46 0.94 -0.53 1.09 1.01 -1.26 -5.10 120.40 114.10 1bdv s VAL 10 Ca 0.61 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 1bdv s VAL 10 Cb -0.12 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.34 1bdv s VAL 10 CO 0.30 0.35 0.85 0.21 0.00 0.00 0.00 175.10 176.81 1bdv s ASN 11 N 1.55 6.32 -0.15 3.32 3.04 -1.26 -5.04 114.94 122.72 1bdv s ASN 11 Ca 0.01 -0.46 -0.11 0.00 0.04 0.00 0.00 52.86 52.35 1bdv s ASN 11 Cb -0.13 -2.40 -0.05 0.00 -1.54 0.00 0.00 41.25 37.14 1bdv s ASN 11 CO -0.06 -1.12 0.20 -0.76 -3.04 0.00 0.00 177.10 172.32 1bdv s LEU 12 N 3.57 4.29 -0.30 3.21 1.43 -1.26 -5.06 118.68 124.56 1bdv s LEU 12 Ca 0.27 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 1bdv s LEU 12 Cb -0.14 -2.20 0.08 0.00 0.03 0.00 0.00 46.19 43.96 1bdv s LEU 12 CO 0.18 0.23 0.00 -0.13 0.23 0.00 0.00 176.35 176.86 1bdv s ARG 13 N -0.08 1.55 0.03 1.70 0.52 -1.26 -5.12 118.95 116.29 1bdv s ARG 13 Ca 0.13 -1.46 0.04 0.00 -0.52 0.00 0.00 55.73 53.92 1bdv s ARG 13 Cb -0.12 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 1bdv s ARG 13 CO 0.02 -0.80 -0.13 -1.58 0.02 0.00 0.00 175.30 172.84 1bdv s TRP 14 N 1.15 1.12 0.05 -0.53 0.51 -1.26 -5.11 118.94 114.87 1bdv s TRP 14 Ca 0.03 -0.33 -0.36 0.00 -2.12 0.00 0.00 56.10 53.32 1bdv s TRP 14 Cb -0.19 -0.67 -0.19 0.00 -0.81 0.00 0.00 33.47 31.61 1bdv s TRP 14 CO -0.10 0.02 0.91 -2.30 -0.51 0.00 0.00 176.95 174.97 1bdv n PRO 15 N 2.03 0.00 -0.23 4.98 -0.02 -1.26 -4.65 135.00 135.85 1bdv n PRO 15 Ca -0.18 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.32 1bdv n PRO 15 Cb 0.55 -1.35 0.14 0.00 -0.02 0.00 0.00 33.50 32.82 1bdv n PRO 15 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1bdv h ARG 16 N 2.42 0.46 -1.00 -0.52 2.43 -1.99 -0.19 114.38 115.98 1bdv h ARG 16 Ca -0.44 -0.03 0.21 0.00 -0.81 0.00 0.00 59.98 58.91 1bdv h ARG 16 Cb 1.42 -0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.76 1bdv h ARG 16 CO 0.62 0.30 0.62 0.93 -1.51 0.00 0.00 179.97 180.93 1bdv h GLU 17 N 0.47 0.61 -0.05 0.20 5.08 -2.00 -1.02 114.58 117.87 1bdv h GLU 17 Ca 0.35 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1bdv h GLU 17 Cb 0.44 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1bdv h GLU 17 CO -0.32 0.40 -0.56 0.28 -1.00 0.00 0.00 179.01 177.81 1bdv h VAL 18 N 0.62 1.40 -0.09 3.13 2.07 -1.37 -2.71 116.25 119.30 1bdv h VAL 18 Ca 0.58 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 1bdv h VAL 18 Cb 1.09 2.41 -0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1bdv h VAL 18 CO -0.35 0.58 0.06 -0.07 0.02 0.00 0.00 177.57 177.80 1bdv h LEU 19 N -0.00 0.11 -0.62 2.57 3.38 -1.11 0.53 115.31 120.16 1bdv h LEU 19 Ca -0.06 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1bdv h LEU 19 Cb 1.24 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1bdv h LEU 19 CO 0.11 0.12 0.28 0.44 0.09 0.00 0.00 178.44 179.48 1bdv h ASP 20 N 0.09 0.35 -0.59 -0.43 3.32 -1.30 0.85 116.42 118.72 1bdv h ASP 20 Ca 0.03 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1bdv h ASP 20 Cb 0.03 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1bdv h ASP 20 CO -0.01 0.21 0.37 0.25 -1.72 0.00 0.00 179.24 178.35 1bdv h LEU 21 N 0.50 0.61 -0.61 1.55 6.46 -1.11 0.62 115.31 123.34 1bdv h LEU 21 Ca 0.30 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 58.07 1bdv h LEU 21 Cb 0.30 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1bdv h LEU 21 CO -0.25 0.43 0.39 0.58 -0.62 0.00 0.00 178.44 178.97 1bdv h VAL 22 N 0.73 1.12 -0.58 1.05 2.07 0.13 -0.70 116.25 120.07 1bdv h VAL 22 Ca 0.23 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1bdv h VAL 22 Cb -0.01 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1bdv h VAL 22 CO -0.08 0.14 0.20 0.03 0.02 0.00 0.00 177.57 177.88 1bdv h ARG 23 N 0.78 0.89 -0.52 1.57 3.08 0.22 0.22 114.38 120.62 1bdv h ARG 23 Ca 0.23 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1bdv h ARG 23 Cb -0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1bdv h ARG 23 CO -0.07 0.79 0.09 -0.22 -1.07 0.00 0.00 179.97 179.49 1bdv h LYS 24 N 0.82 0.85 -0.37 0.04 3.11 0.63 -1.08 116.57 120.57 1bdv h LYS 24 Ca 0.19 -0.22 -0.07 0.00 -2.81 0.00 0.00 60.65 57.74 1bdv h LYS 24 Cb 0.25 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 1bdv h LYS 24 CO -0.01 0.83 -0.05 0.28 -2.81 0.00 0.00 179.45 177.69 1bdv h VAL 25 N 0.74 1.27 -0.39 2.00 2.07 -0.96 -1.71 116.25 119.26 1bdv h VAL 25 Ca 0.16 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1bdv h VAL 25 Cb 0.39 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1bdv h VAL 25 CO 0.01 0.36 0.22 0.00 0.02 0.00 0.00 177.57 178.18 1bdv h ALA 26 N 0.84 0.49 -0.06 1.67 0.00 -0.76 0.18 119.26 121.63 1bdv h ALA 26 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1bdv h ALA 26 Cb 0.54 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1bdv h ALA 26 CO 0.03 -0.13 -0.16 1.05 0.00 0.00 0.00 179.25 180.04 1bdv h GLU 27 N 0.44 -0.23 -0.21 0.00 4.11 -0.99 -2.01 114.58 115.69 1bdv h GLU 27 Ca 0.16 0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.48 1bdv h GLU 27 Cb 0.04 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1bdv h GLU 27 CO -0.09 -0.15 -0.42 1.05 0.07 0.00 0.00 179.01 179.47 1bdv h GLU 28 N -0.23 0.50 0.00 1.06 4.11 -0.86 -2.85 114.58 116.30 1bdv h GLU 28 Ca 0.07 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1bdv h GLU 28 Cb 0.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1bdv h GLU 28 CO -0.19 0.83 0.00 0.09 0.07 0.00 0.00 179.01 179.80 1bdv n ASN 29 N -4.02 0.00 -1.17 3.06 3.02 0.58 -4.89 115.26 111.85 1bdv n ASN 29 Ca -0.02 -1.58 -0.11 0.00 -0.03 0.00 0.00 54.58 52.84 1bdv n ASN 29 Cb 0.52 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 1bdv n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bdv n GLY 30 N 0.57 0.36 3.34 7.41 0.00 -0.94 -5.02 105.19 110.90 1bdv n GLY 30 Ca 0.07 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 1bdv n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bdv s ARG 31 N -4.03 1.74 0.68 1.61 1.70 -0.80 -5.05 118.95 114.80 1bdv s ARG 31 Ca 0.00 -2.02 -0.11 0.00 -0.47 0.00 0.00 55.73 53.14 1bdv s ARG 31 Cb 0.00 0.05 0.01 0.00 -0.57 0.00 0.00 34.95 34.44 1bdv s ARG 31 CO 0.00 -0.57 1.06 -1.54 -1.08 0.00 0.00 175.30 173.17 1bdv s SER 32 N -3.41 5.55 0.24 -2.89 1.04 -1.26 -4.21 113.70 108.76 1bdv s SER 32 Ca 0.36 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.90 1bdv s SER 32 Cb 0.03 -1.96 0.29 0.00 0.10 0.00 0.00 66.02 64.48 1bdv s SER 32 CO 0.22 -1.25 1.64 0.58 0.98 0.00 0.00 173.24 175.41 1bdv h VAL 33 N -0.55 1.29 -0.58 5.02 2.07 -1.93 0.36 116.25 121.93 1bdv h VAL 33 Ca -0.45 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 65.61 1bdv h VAL 33 Cb 1.25 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1bdv h VAL 33 CO 0.63 0.46 0.38 -1.13 0.02 0.00 0.00 177.57 177.94 1bdv h ASN 34 N 0.44 0.66 0.51 0.57 -1.24 -2.00 -0.13 115.58 114.40 1bdv h ASN 34 Ca 0.05 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1bdv h ASN 34 Cb 0.82 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.71 1bdv h ASN 34 CO 0.07 0.48 -0.58 -1.20 -1.29 0.00 0.00 177.43 174.91 1bdv n SER 35 N -4.45 0.55 -0.08 1.15 7.64 -0.96 -3.54 113.62 113.94 1bdv n SER 35 Ca 0.06 -0.24 -0.14 0.00 1.01 0.00 0.00 58.87 59.55 1bdv n SER 35 Cb 0.05 0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.46 1bdv n SER 35 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1bdv h GLU 36 N 0.00 0.00 0.42 1.43 4.57 0.09 -2.95 114.58 118.14 1bdv h GLU 36 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1bdv h GLU 36 Cb 0.54 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1bdv h GLU 36 CO 0.00 0.79 -0.41 0.82 -1.18 0.00 0.00 179.01 179.03 1bdv h ILE 37 N -1.00 0.00 -0.88 2.32 2.04 -1.23 -1.96 117.51 116.80 1bdv h ILE 37 Ca -0.12 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.86 1bdv h ILE 37 Cb 0.94 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.89 1bdv h ILE 37 CO -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 178.15 177.67 1bdv n TYR 38 N -4.90 -0.12 -0.10 1.37 9.36 -1.23 -0.06 117.16 121.49 1bdv n TYR 38 Ca -0.10 1.09 -0.06 0.00 3.32 0.00 0.00 57.90 62.16 1bdv n TYR 38 Cb 0.38 -0.74 0.01 0.00 -0.63 0.00 0.00 39.34 38.36 1bdv n TYR 38 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1bdv h GLN 39 N 0.00 0.15 -0.53 2.98 5.75 -1.26 0.49 115.11 122.68 1bdv h GLN 39 Ca 0.25 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.67 1bdv h GLN 39 Cb 0.47 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 1bdv h GLN 39 CO -0.86 0.10 0.04 0.00 -2.65 0.00 0.00 178.83 175.46 1bdv h ARG 40 N 0.15 0.88 -0.06 1.69 3.08 -0.55 -0.64 114.38 118.93 1bdv h ARG 40 Ca 0.17 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1bdv h ARG 40 Cb 0.20 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1bdv h ARG 40 CO -0.24 0.85 -0.07 0.28 -1.07 0.00 0.00 179.97 179.73 1bdv h VAL 41 N 0.82 1.38 -0.72 2.04 2.07 0.20 -2.02 116.25 120.02 1bdv h VAL 41 Ca 0.16 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.49 1bdv h VAL 41 Cb 0.43 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1bdv h VAL 41 CO 0.02 0.34 0.43 0.24 0.02 0.00 0.00 177.57 178.61 1bdv h MET 42 N -0.30 0.77 -0.87 1.57 2.86 -0.02 -1.97 114.93 116.98 1bdv h MET 42 Ca 0.01 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1bdv h MET 42 Cb 0.58 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 1bdv h MET 42 CO 0.02 0.51 0.57 1.49 1.06 0.00 0.00 176.91 180.56 1bdv h GLU 43 N 0.79 1.13 0.00 1.72 4.22 -1.00 -0.82 114.58 120.62 1bdv h GLU 43 Ca 0.31 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.63 1bdv h GLU 43 Cb 0.14 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1bdv h GLU 43 CO -0.16 0.75 -0.24 0.66 -2.18 0.00 0.00 179.01 177.83 1bdv h SER 44 N 1.16 0.00 -0.07 1.04 4.64 -0.66 -2.67 113.55 116.99 1bdv h SER 44 Ca 0.32 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.49 1bdv h SER 44 Cb -0.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1bdv h SER 44 CO -0.08 0.24 -0.55 -0.26 -0.87 0.00 0.00 176.83 175.32 1bdv h PHE 45 N 0.00 0.69 -0.07 4.77 0.04 -0.59 -3.15 116.94 118.62 1bdv h PHE 45 Ca -0.00 -0.32 0.02 0.00 2.80 0.00 0.00 57.97 60.47 1bdv h PHE 45 Cb 0.58 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 1bdv h PHE 45 CO 0.00 1.11 -0.08 0.87 -0.60 0.00 0.00 178.31 179.62 1bdv h LYS 46 N 0.07 -0.10 -0.63 1.51 1.57 -0.94 -1.00 116.57 117.05 1bdv h LYS 46 Ca -0.05 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1bdv h LYS 46 Cb 1.21 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 1bdv h LYS 46 CO 0.11 -0.06 0.43 0.87 -0.57 0.00 0.00 179.45 180.22 1bdv h LYS 47 N -0.10 0.31 -0.00 3.15 1.79 -1.57 0.40 116.57 120.54 1bdv h LYS 47 Ca 0.06 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1bdv h LYS 47 Cb 0.18 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1bdv h LYS 47 CO -0.13 0.20 -0.24 0.39 -1.08 0.00 0.00 179.45 178.59 1bdv n GLU 48 N -4.45 0.41 -1.79 3.15 1.02 -0.97 -4.93 120.64 113.07 1bdv n GLU 48 Ca 0.11 -0.18 -0.06 0.00 -0.02 0.00 0.00 57.16 57.00 1bdv n GLU 48 Cb 0.47 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.38 1bdv n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bdv n GLY 49 N 1.39 0.38 0.65 0.62 0.00 0.14 -4.90 105.19 103.46 1bdv n GLY 49 Ca 0.10 -0.67 0.13 0.00 0.00 0.00 0.00 46.02 45.58 1bdv n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bdv n ARG 50 N -2.04 1.89 -3.75 1.61 1.74 -0.47 -4.91 116.66 110.72 1bdv n ARG 50 Ca -0.07 -1.30 -0.10 0.00 -0.77 0.00 0.00 57.85 55.61 1bdv n ARG 50 Cb 0.44 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 1bdv n ARG 50 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bdv s ILE 51 N -1.90 0.06 -2.45 0.55 1.01 -1.24 -4.97 121.20 112.26 1bdv s ILE 51 Ca 0.35 -0.85 0.28 0.00 0.00 0.00 0.00 60.65 60.43 1bdv s ILE 51 Cb 0.20 -1.47 0.59 0.00 0.01 0.00 0.00 42.46 41.79 1bdv s ILE 51 CO 0.31 -0.26 1.80 0.61 0.00 0.00 0.00 174.94 177.40