#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bq8 s ALA 2 N 0.00 3.13 0.05 3.04 0.00 -1.26 -4.80 121.76 121.92 1bq8 s ALA 2 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 51.96 51.97 1bq8 s ALA 2 Cb 0.00 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1bq8 s ALA 2 CO 0.00 -0.56 -0.25 0.15 0.00 0.00 0.00 175.76 175.10 1bq8 s LYS 3 N -4.89 1.69 0.00 0.00 3.01 -1.26 -1.20 119.74 117.09 1bq8 s LYS 3 Ca 0.55 -1.09 0.04 0.00 -1.01 0.00 0.00 55.97 54.46 1bq8 s LYS 3 Cb -0.11 -1.88 -0.01 0.00 -1.01 0.00 0.00 37.83 34.82 1bq8 s LYS 3 CO 0.48 0.48 -0.12 -1.58 0.51 0.00 0.00 175.35 175.12 1bq8 s TRP 4 N -0.82 1.11 -0.08 3.18 0.52 0.12 -0.44 118.94 122.53 1bq8 s TRP 4 Ca 0.11 -0.24 -0.04 0.00 0.02 0.00 0.00 56.10 55.95 1bq8 s TRP 4 Cb -0.10 -0.70 -0.04 0.00 -1.15 0.00 0.00 33.47 31.49 1bq8 s TRP 4 CO 0.02 -0.01 0.10 0.54 0.02 0.00 0.00 176.95 177.62 1bq8 s VAL 5 N -0.42 5.05 -0.42 4.03 0.11 -0.20 -0.21 120.40 128.34 1bq8 s VAL 5 Ca 0.04 -0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.74 1bq8 s VAL 5 Cb -0.05 -3.22 0.02 0.00 -1.53 0.00 0.00 36.38 31.60 1bq8 s VAL 5 CO -0.00 0.54 1.26 0.00 -3.33 0.00 0.00 175.10 173.57 1bq8 h LYS 7 N 9.73 0.00 0.00 0.00 1.57 -1.34 -0.97 116.57 125.56 1bq8 h LYS 7 Ca -0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1bq8 h LYS 7 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1bq8 h LYS 7 CO 1.09 0.00 -0.00 0.82 -0.57 0.00 0.00 179.45 180.79 1bq8 h ILE 8 N 0.00 1.69 -0.00 1.86 1.08 -1.90 -3.42 117.51 116.81 1bq8 h ILE 8 Ca -0.00 -2.12 0.00 0.00 -0.39 0.00 0.00 64.86 62.35 1bq8 h ILE 8 Cb 0.23 3.12 0.00 0.00 -3.07 0.00 0.00 36.82 37.10 1bq8 h ILE 8 CO 0.00 0.54 -0.03 0.00 -0.69 0.00 0.00 178.15 177.97 1bq8 n GLY 10 N 0.99 0.99 3.74 0.00 0.00 -0.38 -5.03 105.19 105.50 1bq8 n GLY 10 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1bq8 n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bq8 n TYR 11 N -2.00 2.72 -3.62 1.61 9.36 -1.26 -4.69 117.16 119.28 1bq8 n TYR 11 Ca 0.00 0.45 -0.38 0.00 3.32 0.00 0.00 57.90 61.29 1bq8 n TYR 11 Cb 0.00 -2.50 -0.11 0.00 -0.63 0.00 0.00 39.34 36.10 1bq8 n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1bq8 s ILE 12 N -0.88 5.23 -0.56 2.97 -1.09 -1.26 -0.53 121.20 125.08 1bq8 s ILE 12 Ca 0.56 0.14 -0.24 0.00 -2.23 0.00 0.00 60.65 58.88 1bq8 s ILE 12 Cb -0.52 -3.48 0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1bq8 s ILE 12 CO 0.60 0.27 0.94 -0.47 -1.23 0.00 0.00 174.94 175.06 1bq8 s TYR 13 N 1.63 2.79 -0.39 3.97 5.04 0.70 -4.92 117.35 126.17 1bq8 s TYR 13 Ca 0.07 -0.06 -0.15 0.00 -2.44 0.00 0.00 57.07 54.49 1bq8 s TYR 13 Cb -0.16 -4.08 0.01 0.00 0.35 0.00 0.00 41.96 38.08 1bq8 s TYR 13 CO 0.09 -1.37 0.34 0.34 -1.34 0.00 0.00 175.55 173.62 1bq8 s ASP 14 N 2.90 6.14 0.44 4.32 -1.08 -1.26 -0.70 116.67 127.43 1bq8 s ASP 14 Ca 0.30 -0.66 0.17 0.00 -0.52 0.00 0.00 52.55 51.83 1bq8 s ASP 14 Cb -0.13 -2.18 1.09 0.00 -1.46 0.00 0.00 42.92 40.24 1bq8 s ASP 14 CO 0.18 -0.44 1.95 -0.33 0.52 0.00 0.00 175.17 177.05 1bq8 h GLU 15 N 8.62 0.35 0.00 4.34 5.08 -1.42 0.73 114.58 132.28 1bq8 h GLU 15 Ca -0.28 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1bq8 h GLU 15 Cb 1.13 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1bq8 h GLU 15 CO 0.73 0.23 -0.32 -0.44 -1.00 0.00 0.00 179.01 178.21 1bq8 h ASP 16 N 0.36 0.00 0.72 1.42 3.32 -1.87 0.22 116.42 120.59 1bq8 h ASP 16 Ca 0.33 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.18 1bq8 h ASP 16 Cb 0.79 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1bq8 h ASP 16 CO -0.09 0.32 -1.40 0.00 -1.72 0.00 0.00 179.24 176.34 1bq8 h ALA 17 N 1.68 0.67 -0.91 3.45 0.00 -1.29 -3.30 119.26 119.57 1bq8 h ALA 17 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1bq8 h ALA 17 Cb 0.62 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1bq8 h ALA 17 CO 0.04 1.11 0.00 0.41 0.00 0.00 0.00 179.25 180.82 1bq8 n GLY 18 N 1.43 1.46 2.66 0.00 0.00 -0.47 -3.94 105.19 106.32 1bq8 n GLY 18 Ca -0.10 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1bq8 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bq8 n ASP 19 N -2.18 -2.23 0.14 1.61 2.03 -0.33 -4.68 116.55 110.91 1bq8 n ASP 19 Ca 0.00 -3.39 0.04 0.00 0.52 0.00 0.00 54.79 51.97 1bq8 n ASP 19 Cb 0.00 1.53 0.47 0.00 -0.72 0.00 0.00 41.12 42.40 1bq8 n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1bq8 h PRO 20 N 3.57 0.22 0.00 -0.67 0.13 -1.46 -1.02 132.00 132.77 1bq8 h PRO 20 Ca -0.10 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1bq8 h PRO 20 Cb 1.04 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1bq8 h PRO 20 CO 0.28 0.26 -0.01 -0.44 -0.23 0.00 0.00 178.00 177.86 1bq8 h ASP 21 N 0.21 0.00 -0.07 1.44 3.32 -1.96 -2.40 116.42 116.97 1bq8 h ASP 21 Ca 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1bq8 h ASP 21 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1bq8 h ASP 21 CO 0.01 0.01 -0.20 0.59 -1.72 0.00 0.00 179.24 177.92 1bq8 n ASN 22 N -3.12 2.27 0.00 6.45 3.02 -0.47 -4.98 115.26 118.43 1bq8 n ASN 22 Ca -0.02 -3.47 0.00 0.00 -0.03 0.00 0.00 54.58 51.06 1bq8 n ASN 22 Cb 0.15 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1bq8 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bq8 n GLY 23 N -1.20 0.62 3.02 7.41 0.00 -0.90 -5.04 105.19 109.10 1bq8 n GLY 23 Ca 0.20 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1bq8 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bq8 s ILE 24 N -2.00 1.70 0.50 -0.61 -1.09 -0.73 -4.97 121.20 114.00 1bq8 s ILE 24 Ca 0.00 -0.96 -0.21 0.00 -2.23 0.00 0.00 60.65 57.25 1bq8 s ILE 24 Cb 0.00 -1.72 -0.07 0.00 -1.58 0.00 0.00 42.46 39.10 1bq8 s ILE 24 CO 0.00 0.26 1.12 -0.94 -1.23 0.00 0.00 174.94 174.15 1bq8 s SER 25 N 1.39 6.04 0.26 3.58 1.04 -1.26 -1.18 113.70 123.57 1bq8 s SER 25 Ca 0.00 2.17 -0.30 0.00 0.48 0.00 0.00 55.95 58.31 1bq8 s SER 25 Cb -0.15 -2.59 -0.14 0.00 0.10 0.00 0.00 66.02 63.25 1bq8 s SER 25 CO -0.09 -1.00 1.26 -2.65 0.98 0.00 0.00 173.24 171.74 1bq8 n PRO 26 N -0.89 1.78 -0.24 4.02 -0.02 -1.25 -2.78 135.00 135.61 1bq8 n PRO 26 Ca 0.09 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1bq8 n PRO 26 Cb 0.50 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1bq8 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bq8 n GLY 27 N 1.61 0.84 3.66 -1.23 0.00 0.78 -4.84 105.19 106.00 1bq8 n GLY 27 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1bq8 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bq8 s THR 28 N -2.07 4.91 0.56 2.61 2.01 -1.12 -4.93 115.64 117.61 1bq8 s THR 28 Ca 0.00 1.47 -0.20 0.00 0.31 0.00 0.00 61.69 63.26 1bq8 s THR 28 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1bq8 s THR 28 CO 0.00 0.02 1.27 -0.54 -0.69 0.00 0.00 174.62 174.68 1bq8 s LYS 29 N 2.28 3.12 0.26 4.92 1.02 -1.26 -4.63 119.74 125.44 1bq8 s LYS 29 Ca 0.34 2.00 -0.02 0.00 0.02 0.00 0.00 55.97 58.30 1bq8 s LYS 29 Cb -0.16 -2.12 0.45 0.00 -0.52 0.00 0.00 37.83 35.48 1bq8 s LYS 29 CO 0.10 -1.14 1.82 0.35 -0.92 0.00 0.00 175.35 175.56 1bq8 h PHE 30 N 1.25 0.94 -0.93 3.18 3.57 -1.95 -0.23 116.94 122.77 1bq8 h PHE 30 Ca -0.50 0.03 0.20 0.00 3.53 0.00 0.00 57.97 61.23 1bq8 h PHE 30 Cb 1.30 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 39.67 1bq8 h PHE 30 CO 0.47 0.38 0.61 0.93 -2.23 0.00 0.00 178.31 178.46 1bq8 h GLU 31 N 0.85 0.47 -0.00 1.11 3.07 -2.02 -1.93 114.58 116.13 1bq8 h GLU 31 Ca 0.43 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1bq8 h GLU 31 Cb 0.41 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1bq8 h GLU 31 CO -0.26 0.31 -0.18 0.39 -1.40 0.00 0.00 179.01 177.87 1bq8 n GLU 32 N -4.56 0.26 -1.80 2.33 -0.58 -0.11 -4.85 120.64 111.34 1bq8 n GLU 32 Ca 0.20 -0.09 -0.40 0.00 -0.42 0.00 0.00 57.16 56.45 1bq8 n GLU 32 Cb 0.68 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 30.06 1bq8 n GLU 32 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bq8 s LEU 33 N -2.80 4.21 0.57 -4.62 1.43 -0.73 -4.91 118.68 111.83 1bq8 s LEU 33 Ca 0.19 2.99 -0.19 0.00 -1.03 0.00 0.00 54.13 56.09 1bq8 s LEU 33 Cb 0.19 -3.81 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 1bq8 s LEU 33 CO 0.56 -1.04 0.81 -2.65 0.23 0.00 0.00 176.35 174.25 1bq8 n PRO 34 N 0.11 0.80 -0.21 1.29 -0.02 -1.26 -4.84 135.00 130.87 1bq8 n PRO 34 Ca 0.03 0.31 0.17 0.00 -2.02 0.00 0.00 63.50 61.99 1bq8 n PRO 34 Cb 0.40 -1.98 0.51 0.00 -0.02 0.00 0.00 33.50 32.42 1bq8 n PRO 34 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bq8 h ASP 35 N 0.51 0.40 -0.38 2.55 3.32 -1.93 -0.44 116.42 120.44 1bq8 h ASP 35 Ca -0.47 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1bq8 h ASP 35 Cb 1.37 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1bq8 h ASP 35 CO 0.50 0.18 0.00 -0.90 -1.72 0.00 0.00 179.24 177.30 1bq8 n ASP 36 N -4.49 2.49 -4.77 6.45 5.75 -1.26 -4.68 116.55 116.04 1bq8 n ASP 36 Ca 0.17 -1.92 -0.40 0.00 -0.01 0.00 0.00 54.79 52.63 1bq8 n ASP 36 Cb 0.62 -0.25 -0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1bq8 n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1bq8 s TRP 37 N -1.49 2.79 0.20 2.11 -0.00 -0.18 -5.02 118.94 117.35 1bq8 s TRP 37 Ca 0.33 1.37 0.07 0.00 -0.00 0.00 0.00 56.10 57.87 1bq8 s TRP 37 Cb 0.18 -3.74 -0.05 0.00 -0.00 0.00 0.00 33.47 29.87 1bq8 s TRP 37 CO 0.25 -2.24 -0.12 0.14 -0.00 0.00 0.00 176.95 174.98 1bq8 s VAL 38 N -1.22 1.57 0.07 5.86 -7.23 -1.26 -3.87 120.40 114.31 1bq8 s VAL 38 Ca 0.56 -2.16 -0.35 0.00 -1.81 0.00 0.00 61.98 58.21 1bq8 s VAL 38 Cb -0.40 -2.07 -0.14 0.00 0.56 0.00 0.00 36.38 34.33 1bq8 s VAL 38 CO 0.52 -0.58 1.58 0.00 -0.31 0.00 0.00 175.10 176.32 1bq8 n PRO 40 N 3.90 0.12 -0.10 0.00 -0.04 -1.26 -1.22 135.00 136.41 1bq8 n PRO 40 Ca 0.19 0.30 -0.18 0.00 -0.04 0.00 0.00 63.50 63.77 1bq8 n PRO 40 Cb 0.25 -1.71 -0.08 0.00 -0.04 0.00 0.00 33.50 31.93 1bq8 n PRO 40 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1bq8 n ILE 41 N -1.94 1.50 0.48 0.52 2.08 -1.26 -4.76 119.36 115.98 1bq8 n ILE 41 Ca 0.03 -0.03 0.05 0.00 0.56 0.00 0.00 62.75 63.36 1bq8 n ILE 41 Cb 0.25 -2.13 -0.06 0.00 -0.75 0.00 0.00 39.64 36.95 1bq8 n ILE 41 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bq8 n GLY 43 N 1.29 0.58 3.76 0.00 0.00 -0.35 -4.99 105.19 105.48 1bq8 n GLY 43 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1bq8 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bq8 s ALA 44 N -2.15 3.15 1.00 4.61 0.00 -1.26 -4.50 121.76 122.60 1bq8 s ALA 44 Ca 0.00 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.10 1bq8 s ALA 44 Cb 0.00 -3.51 0.19 0.00 0.00 0.00 0.00 23.12 19.80 1bq8 s ALA 44 CO 0.00 -0.97 1.09 -1.25 0.00 0.00 0.00 175.76 174.63 1bq8 s PRO 45 N -2.45 0.45 0.44 0.00 0.04 -1.26 -0.69 135.00 131.53 1bq8 s PRO 45 Ca 0.61 0.56 0.16 0.00 0.04 0.00 0.00 61.00 62.37 1bq8 s PRO 45 Cb -0.38 -1.74 1.09 0.00 0.04 0.00 0.00 34.50 33.51 1bq8 s PRO 45 CO 0.48 -2.73 1.95 0.87 0.04 0.00 0.00 177.00 177.61 1bq8 h LYS 46 N -1.89 0.35 -0.55 4.56 1.57 -1.84 -1.44 116.57 117.33 1bq8 h LYS 46 Ca -0.54 -0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.37 1bq8 h LYS 46 Cb 1.32 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 1bq8 h LYS 46 CO 0.57 0.23 0.44 0.66 -0.57 0.00 0.00 179.45 180.78 1bq8 h SER 47 N 0.36 0.00 -0.22 0.86 4.64 -1.94 -2.34 113.55 114.91 1bq8 h SER 47 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1bq8 h SER 47 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1bq8 h SER 47 CO -0.09 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.25 1bq8 n GLU 48 N -4.16 1.65 -3.86 4.77 -0.58 -0.54 -4.86 120.64 113.06 1bq8 n GLU 48 Ca 0.10 -1.00 -0.34 0.00 -0.42 0.00 0.00 57.16 55.50 1bq8 n GLU 48 Cb 0.66 -1.31 -0.05 0.00 -0.57 0.00 0.00 31.44 30.17 1bq8 n GLU 48 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1bq8 s PHE 49 N -1.71 3.56 -0.06 -0.32 0.40 -0.88 -0.88 117.98 118.09 1bq8 s PHE 49 Ca 0.26 0.44 0.04 0.00 -0.60 0.00 0.00 56.93 57.07 1bq8 s PHE 49 Cb 0.14 -1.89 -0.00 0.00 0.51 0.00 0.00 43.02 41.78 1bq8 s PHE 49 CO 0.20 0.65 -0.20 -2.00 0.70 0.00 0.00 175.22 174.57 1bq8 s GLU 50 N -1.79 2.21 0.11 0.44 2.12 -0.36 -4.95 118.70 116.48 1bq8 s GLU 50 Ca 0.26 -0.70 -0.31 0.00 0.36 0.00 0.00 54.97 54.58 1bq8 s GLU 50 Cb -0.13 -1.82 -0.07 0.00 0.26 0.00 0.00 34.13 32.37 1bq8 s GLU 50 CO 0.16 0.23 1.32 0.21 -0.54 0.00 0.00 175.26 176.64 1bq8 s LYS 51 N 0.15 4.36 -1.23 4.30 2.20 -1.26 -1.04 119.74 127.23 1bq8 s LYS 51 Ca -0.09 1.98 -0.14 0.00 -0.36 0.00 0.00 55.97 57.37 1bq8 s LYS 51 Cb -0.14 -3.27 0.16 0.00 -1.51 0.00 0.00 37.83 33.07 1bq8 s LYS 51 CO 0.04 -0.36 1.51 1.28 -0.36 0.00 0.00 175.35 177.46 1bq8 n LEU 52 N 3.78 5.27 -3.48 5.43 4.77 0.41 -4.85 117.00 128.34 1bq8 n LEU 52 Ca 0.10 -4.40 -0.13 0.00 -0.03 0.00 0.00 56.01 51.55 1bq8 n LEU 52 Cb 0.44 -1.63 -0.04 0.00 -2.33 0.00 0.00 43.42 39.86 1bq8 n LEU 52 CO 0.58 0.69 0.37 -1.83 -1.33 0.00 0.00 177.39 175.87 1bq8 s GLU 53 N 1.84 1.18 0.00 3.23 -1.05 -1.26 -4.75 118.70 117.89 1bq8 s GLU 53 Ca 0.44 -0.31 0.17 0.00 -0.15 0.00 0.00 54.97 55.12 1bq8 s GLU 53 Cb -0.01 0.54 1.02 0.00 -0.44 0.00 0.00 34.13 35.24 1bq8 s GLU 53 CO 0.01 -0.47 1.43 -3.47 0.95 0.00 0.00 175.26 173.71