#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgm s ILE 2 N 0.00 4.72 -0.12 1.34 -1.09 -0.63 -4.83 121.20 120.59 1qgm s ILE 2 Ca 0.00 1.10 -0.00 0.00 -2.23 0.00 0.00 60.65 59.52 1qgm s ILE 2 Cb 0.00 -3.83 0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1qgm s ILE 2 CO 0.00 0.34 -0.08 -1.00 -1.23 0.00 0.00 174.94 172.97 1qgm s HIS 3 N -1.36 1.55 -0.02 3.97 3.76 -1.26 -2.52 115.29 119.40 1qgm s HIS 3 Ca 0.37 -0.81 0.03 0.00 -0.15 0.00 0.00 55.06 54.50 1qgm s HIS 3 Cb -0.17 -1.27 0.04 0.00 1.11 0.00 0.00 32.58 32.29 1qgm s HIS 3 CO 0.20 -0.53 0.93 0.00 -0.85 0.00 0.00 174.74 174.49 1qgm n ASP 5 N -0.52 0.00 0.00 0.00 5.68 -1.26 -5.09 116.55 115.36 1qgm n ASP 5 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 1qgm n ASP 5 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1qgm n ASP 5 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qgm n ALA 6 N -3.00 0.00 -0.55 2.12 0.00 -1.26 -5.05 120.51 112.77 1qgm n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qgm n ALA 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qgm n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qgm n ALA 7 N -0.24 0.66 -1.47 0.00 0.00 -1.26 -4.99 120.51 113.21 1qgm n ALA 7 Ca 0.00 -0.08 -0.47 0.00 0.00 0.00 0.00 53.44 52.89 1qgm n ALA 7 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1qgm n ALA 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1qgm n THR 8 N -1.88 1.95 -4.09 0.00 -1.04 -1.26 -4.97 114.28 102.99 1qgm n THR 8 Ca 0.00 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.05 61.39 1qgm n THR 8 Cb 0.00 -0.35 -0.12 0.00 -1.82 0.00 0.00 70.33 68.04 1qgm n THR 8 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1qgm s ILE 9 N -0.99 0.53 0.08 12.58 1.01 -1.26 -4.72 121.20 128.42 1qgm s ILE 9 Ca 0.63 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1qgm s ILE 9 Cb -0.86 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1qgm s ILE 9 CO 0.57 -0.26 -0.07 0.00 0.00 0.00 0.00 174.94 175.18 1qgm n PRO 11 N 0.85 0.00 -3.64 0.00 -0.04 -1.26 -1.61 135.00 129.31 1qgm n PRO 11 Ca -0.13 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.23 1qgm n PRO 11 Cb 0.52 -0.13 -0.02 0.00 -0.04 0.00 0.00 33.50 33.83 1qgm n PRO 11 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qgm s ASP 12 N -1.27 -0.39 -0.61 3.54 1.01 -1.26 -3.58 116.67 114.11 1qgm s ASP 12 Ca 0.00 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 52.95 1qgm s ASP 12 Cb 0.00 0.63 0.00 0.00 1.01 0.00 0.00 42.92 44.56 1qgm s ASP 12 CO 0.00 -1.11 0.00 0.61 0.21 0.00 0.00 175.17 174.88 1qgm n GLY 13 N -0.39 0.62 3.53 0.21 0.00 -1.26 -4.95 105.19 102.95 1qgm n GLY 13 Ca -0.11 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1qgm n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qgm s THR 14 N -1.65 1.60 0.11 2.61 -4.23 -1.26 -4.20 115.64 108.63 1qgm s THR 14 Ca 0.00 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 58.56 1qgm s THR 14 Cb 0.00 -2.88 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 1qgm s THR 14 CO 0.00 -0.01 -0.14 0.28 -0.54 0.00 0.00 174.62 174.21 1qgm s THR 15 N -3.00 1.29 0.12 3.99 -1.32 -0.15 -4.88 115.64 111.69 1qgm s THR 15 Ca 0.36 -1.65 -0.31 0.00 -1.21 0.00 0.00 61.69 58.88 1qgm s THR 15 Cb 0.09 -1.46 -0.09 0.00 -1.51 0.00 0.00 72.50 69.53 1qgm s THR 15 CO 0.17 -0.38 1.64 0.00 -2.21 0.00 0.00 174.62 173.83 1qgm s SER 17 N 1.83 0.21 -0.14 0.00 0.15 0.37 -4.81 113.70 111.31 1qgm s SER 17 Ca 0.73 -0.01 -0.09 0.00 0.70 0.00 0.00 55.95 57.28 1qgm s SER 17 Cb -0.43 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.74 1qgm s SER 17 CO 0.32 -0.06 0.16 -0.22 1.20 0.00 0.00 173.24 174.64 1qgm s LEU 18 N 0.61 4.32 0.75 3.45 0.20 -1.26 -1.25 118.68 125.50 1qgm s LEU 18 Ca -0.06 0.42 -0.12 0.00 0.69 0.00 0.00 54.13 55.07 1qgm s LEU 18 Cb -0.08 -2.13 0.04 0.00 -0.43 0.00 0.00 46.19 43.59 1qgm s LEU 18 CO -0.01 0.30 1.12 -0.94 -0.29 0.00 0.00 176.35 176.53 1qgm s SER 19 N -0.45 4.99 0.04 3.68 1.04 0.22 -4.91 113.70 118.31 1qgm s SER 19 Ca 0.13 1.06 0.15 0.00 0.48 0.00 0.00 55.95 57.78 1qgm s SER 19 Cb -0.12 -1.77 0.65 0.00 0.10 0.00 0.00 66.02 64.88 1qgm s SER 19 CO 0.02 -1.62 1.48 -0.81 0.98 0.00 0.00 173.24 173.29 1qgm n PRO 20 N -3.18 0.03 0.00 4.02 -0.04 -1.26 -1.54 135.00 133.03 1qgm n PRO 20 Ca 0.07 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.92 1qgm n PRO 20 Cb 0.58 -1.56 0.07 0.00 -0.04 0.00 0.00 33.50 32.55 1qgm n PRO 20 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qgm n TYR 21 N -1.62 0.00 -0.29 0.54 4.01 -1.26 -4.93 117.16 113.61 1qgm n TYR 21 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1qgm n TYR 21 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1qgm n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qgm n GLY 22 N 1.09 0.83 3.63 2.72 0.00 -0.59 -5.05 105.19 107.83 1qgm n GLY 22 Ca 0.11 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1qgm n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qgm s VAL 23 N -2.00 4.87 -0.02 1.61 1.01 -1.26 -4.77 120.40 119.85 1qgm s VAL 23 Ca 0.00 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 1qgm s VAL 23 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1qgm s VAL 23 CO 0.00 -0.09 1.08 0.26 0.00 0.00 0.00 175.10 176.35 1qgm s TRP 24 N 2.76 3.49 0.28 5.22 0.23 -1.26 -0.61 118.94 129.06 1qgm s TRP 24 Ca 0.31 1.49 -0.12 0.00 -2.03 0.00 0.00 56.10 55.75 1qgm s TRP 24 Cb -0.15 -3.26 0.01 0.00 0.03 0.00 0.00 33.47 30.09 1qgm s TRP 24 CO 0.09 -0.60 0.53 1.52 0.96 0.00 0.00 176.95 179.45 1qgm s TYR 25 N 1.45 0.42 -0.09 -1.98 1.13 -0.38 -4.94 117.35 112.96 1qgm s TYR 25 Ca 0.54 -0.80 -0.05 0.00 -1.41 0.00 0.00 57.07 55.35 1qgm s TYR 25 Cb -0.23 0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.85 1qgm s TYR 25 CO 0.25 -1.11 0.11 0.00 -2.51 0.00 0.00 175.55 172.30 1qgm s SER 27 N -1.20 3.73 0.03 0.00 0.15 0.29 -4.84 113.70 111.86 1qgm s SER 27 Ca 0.17 -0.33 -0.30 0.00 0.70 0.00 0.00 55.95 56.18 1qgm s SER 27 Cb -0.12 -0.65 -0.05 0.00 -1.71 0.00 0.00 66.02 63.49 1qgm s SER 27 CO 0.07 0.31 1.16 -2.16 1.20 0.00 0.00 173.24 173.82 1qgm s PRO 28 N -0.94 4.44 0.09 5.44 0.04 -1.26 -0.98 135.00 141.83 1qgm s PRO 28 Ca 0.12 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.89 1qgm s PRO 28 Cb -0.10 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 1qgm s PRO 28 CO 0.02 -0.25 -0.10 -0.59 0.04 0.00 0.00 177.00 176.11 1qgm s PHE 29 N 1.23 1.03 0.00 0.56 -0.12 -1.26 -4.97 117.98 114.45 1qgm s PHE 29 Ca 0.57 -0.62 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 1qgm s PHE 29 Cb -0.27 -0.57 0.00 0.00 -0.63 0.00 0.00 43.02 41.55 1qgm s PHE 29 CO 0.28 -0.01 0.00 0.45 -0.05 0.00 0.00 175.22 175.89