#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 4.53 -0.06 1.34 -1.09 0.17 -4.83 121.20 121.27 1qgm s ILE 2 Ca 0.00 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.23 1qgm s ILE 2 Cb 0.00 -3.38 0.02 0.00 -1.58 0.00 0.00 42.46 37.53 1qgm s ILE 2 CO 0.00 -0.21 -0.03 -1.00 -1.23 0.00 0.00 174.94 172.47 1qgm s HIS 3 N -1.91 0.76 -0.09 3.97 3.76 -1.26 -1.78 115.29 118.74 1qgm s HIS 3 Ca 0.32 -0.22 -0.05 0.00 -0.15 0.00 0.00 55.06 54.96 1qgm s HIS 3 Cb -0.09 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.82 1qgm s HIS 3 CO 0.24 -0.26 -0.12 0.00 -0.85 0.00 0.00 174.74 173.76 1qgm n ASP 5 N -3.44 0.00 0.00 0.00 -0.08 -1.26 -5.06 116.55 106.71 1qgm n ASP 5 Ca -0.17 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1qgm n ASP 5 Cb 0.60 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.56 1qgm n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qgm n ALA 6 N -2.27 0.00 -0.01 -1.67 0.00 -1.26 -4.96 120.51 110.34 1qgm n ALA 6 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1qgm n ALA 6 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 0.00 2.79 -1.92 0.00 0.00 -1.26 -4.93 120.51 115.20 1qgm n ALA 7 Ca 0.00 -0.52 -0.39 0.00 0.00 0.00 0.00 53.44 52.53 1qgm n ALA 7 Cb 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1qgm n ALA 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qgm s THR 8 N -3.50 4.29 0.30 0.00 2.01 -1.26 -5.07 115.64 112.41 1qgm s THR 8 Ca -0.08 1.78 0.06 0.00 0.31 0.00 0.00 61.69 63.76 1qgm s THR 8 Cb 0.14 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 1qgm s THR 8 CO 0.90 0.46 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.64 1qgm s ILE 9 N -1.23 1.56 0.05 1.82 1.01 -1.26 -4.36 121.20 118.79 1qgm s ILE 9 Ca 0.39 -2.08 -0.10 0.00 0.00 0.00 0.00 60.65 58.85 1qgm s ILE 9 Cb -0.23 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1qgm s ILE 9 CO 0.27 -0.21 0.21 0.00 0.00 0.00 0.00 174.94 175.21 1qgm n PRO 11 N 0.55 -0.07 -3.64 0.00 -0.04 -1.26 0.46 135.00 131.00 1qgm n PRO 11 Ca -0.18 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.98 1qgm n PRO 11 Cb 0.60 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.02 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 -1.35 6.45 -0.06 3.54 1.01 -1.26 -3.78 116.67 121.20 1qgm s ASP 12 Ca 0.00 0.54 0.00 0.00 0.71 0.00 0.00 52.55 53.80 1qgm s ASP 12 Cb 0.00 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.86 1qgm s ASP 12 CO 0.00 -0.02 0.00 0.61 0.21 0.00 0.00 175.17 175.97 1qgm n GLY 13 N -0.32 0.47 3.53 0.21 0.00 -1.26 -5.01 105.19 102.81 1qgm n GLY 13 Ca -0.03 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.91 1.56 -0.01 2.61 -4.23 -1.26 -4.13 115.64 108.27 1qgm s THR 14 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1qgm s THR 14 Cb 0.00 -2.88 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 1qgm s THR 14 CO 0.00 0.00 -0.13 0.28 -0.54 0.00 0.00 174.62 174.23 1qgm s THR 15 N -3.02 1.04 0.26 3.99 -1.32 -0.15 -4.94 115.64 111.50 1qgm s THR 15 Ca 0.35 -0.55 -0.30 0.00 -1.21 0.00 0.00 61.69 59.98 1qgm s THR 15 Cb 0.09 -0.87 -0.11 0.00 -1.51 0.00 0.00 72.50 70.10 1qgm s THR 15 CO 0.17 0.30 1.54 0.00 -2.21 0.00 0.00 174.62 174.41 1qgm s SER 17 N 0.50 -0.60 0.09 0.00 0.01 0.11 -4.75 113.70 109.07 1qgm s SER 17 Ca 0.62 1.05 -0.13 0.00 1.31 0.00 0.00 55.95 58.80 1qgm s SER 17 Cb -0.45 0.97 -0.06 0.00 0.21 0.00 0.00 66.02 66.69 1qgm s SER 17 CO 0.44 -0.19 0.48 -0.22 0.41 0.00 0.00 173.24 174.16 1qgm s LEU 18 N 1.02 4.38 0.87 2.44 0.20 -1.26 -0.80 118.68 125.53 1qgm s LEU 18 Ca -0.06 0.98 -0.13 0.00 0.69 0.00 0.00 54.13 55.60 1qgm s LEU 18 Cb -0.06 -3.03 0.13 0.00 -0.43 0.00 0.00 46.19 42.79 1qgm s LEU 18 CO -0.09 0.18 1.22 -0.94 -0.29 0.00 0.00 176.35 176.43 1qgm s SER 19 N -1.58 3.91 0.00 3.68 1.04 -0.00 -4.87 113.70 115.88 1qgm s SER 19 Ca 0.33 0.63 0.15 0.00 0.48 0.00 0.00 55.95 57.54 1qgm s SER 19 Cb -0.15 -0.98 0.71 0.00 0.10 0.00 0.00 66.02 65.70 1qgm s SER 19 CO 0.18 -2.27 1.43 -0.81 0.98 0.00 0.00 173.24 172.75 1qgm n PRO 20 N -3.53 0.14 0.00 4.02 -0.04 -1.26 -1.60 135.00 132.74 1qgm n PRO 20 Ca 0.10 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.81 1qgm n PRO 20 Cb 0.60 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.36 0.00 -0.27 0.54 4.01 -1.26 -4.95 117.16 113.87 1qgm n TYR 21 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1qgm n TYR 21 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 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 0.72 0.84 3.54 2.72 0.00 -0.62 -5.04 105.19 107.34 1qgm n GLY 22 Ca 0.07 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 4.56 0.05 1.61 1.01 -1.26 -4.74 120.40 119.64 1qgm s VAL 23 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1qgm s VAL 23 Cb 0.00 -4.39 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 1qgm s VAL 23 CO 0.00 -0.83 1.65 0.26 0.00 0.00 0.00 175.10 176.17 1qgm s TRP 24 N 3.50 2.36 0.25 5.22 0.23 -1.26 -0.82 118.94 128.43 1qgm s TRP 24 Ca 0.31 0.31 -0.08 0.00 -2.03 0.00 0.00 56.10 54.61 1qgm s TRP 24 Cb -0.12 -3.95 -0.01 0.00 0.03 0.00 0.00 33.47 29.42 1qgm s TRP 24 CO 0.22 -3.83 0.39 1.52 0.96 0.00 0.00 176.95 176.22 1qgm s TYR 25 N 2.84 0.69 -0.27 -1.98 -0.85 0.02 -4.95 117.35 112.85 1qgm s TYR 25 Ca 0.74 -0.99 -0.08 0.00 -0.52 0.00 0.00 57.07 56.22 1qgm s TYR 25 Cb -0.39 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 41.90 1qgm s TYR 25 CO 0.32 -0.94 0.09 0.00 -1.52 0.00 0.00 175.55 173.50 1qgm s SER 27 N 1.59 7.33 -0.18 0.00 0.15 0.16 -4.74 113.70 118.00 1qgm s SER 27 Ca 0.05 1.57 -0.29 0.00 0.70 0.00 0.00 55.95 57.98 1qgm s SER 27 Cb -0.16 -2.48 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 1qgm s SER 27 CO 0.04 0.19 1.17 -2.16 1.20 0.00 0.00 173.24 173.68 1qgm s PRO 28 N -0.99 4.26 0.25 5.44 0.04 -1.26 -0.98 135.00 141.77 1qgm s PRO 28 Ca 0.35 1.54 0.12 0.00 0.04 0.00 0.00 61.00 63.05 1qgm s PRO 28 Cb -0.22 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 1qgm s PRO 28 CO 0.25 -0.64 -0.19 -0.59 0.04 0.00 0.00 177.00 175.86 1qgm s PHE 29 N 3.22 2.33 0.00 0.56 -0.12 -1.26 -4.97 117.98 117.74 1qgm s PHE 29 Ca 0.51 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 57.06 1qgm s PHE 29 Cb -0.19 -1.05 0.00 0.00 -0.63 0.00 0.00 43.02 41.15 1qgm s PHE 29 CO 0.12 0.65 0.00 0.45 -0.05 0.00 0.00 175.22 176.39