#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqe s HIS 1 N 0.00 3.36 -0.26 1.61 5.65 -1.26 -5.03 115.29 119.36 2gqe s HIS 1 Ca 0.00 0.82 -0.26 0.00 0.25 0.00 0.00 55.06 55.87 2gqe s HIS 1 Cb 0.00 -2.73 0.11 0.00 -1.18 0.00 0.00 32.58 28.78 2gqe s HIS 1 CO 0.00 -0.16 0.97 1.41 -0.65 0.00 0.00 174.74 176.31 2gqe s MET 2 N 1.86 0.59 0.61 2.88 -2.45 -1.26 -5.16 119.30 116.37 2gqe s MET 2 Ca 0.25 0.60 -0.18 0.00 -1.25 0.00 0.00 55.69 55.12 2gqe s MET 2 Cb -0.16 0.28 -0.05 0.00 1.25 0.00 0.00 34.83 36.16 2gqe s MET 2 CO 0.10 -0.09 0.84 1.55 1.05 0.00 0.00 175.02 178.47 2gqe n VAL 3 N 2.09 3.31 -3.52 10.11 3.14 -1.26 -4.96 118.33 127.23 2gqe n VAL 3 Ca -0.13 -0.49 -0.37 0.00 -2.96 0.00 0.00 64.34 60.40 2gqe n VAL 3 Cb 0.56 -1.01 -0.07 0.00 -1.06 0.00 0.00 33.84 32.26 2gqe n VAL 3 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2gqe s ILE 4 N -1.60 5.29 0.00 1.55 1.09 -1.26 -4.94 121.20 121.33 2gqe s ILE 4 Ca 0.74 0.59 0.00 0.00 -1.10 0.00 0.00 60.65 60.88 2gqe s ILE 4 Cb -0.41 -3.65 0.00 0.00 -1.06 0.00 0.00 42.46 37.34 2gqe s ILE 4 CO 0.49 0.40 0.00 0.61 -0.10 0.00 0.00 174.94 176.33 2gqe n GLY 5 N 3.28 0.45 3.64 6.18 0.00 -1.26 -4.87 105.19 112.61 2gqe n GLY 5 Ca -0.12 -1.51 -0.02 0.00 0.00 0.00 0.00 46.02 44.37 2gqe n GLY 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gqe s THR 6 N -2.02 0.00 -0.05 2.61 -4.23 -1.26 -4.24 115.64 106.46 2gqe s THR 6 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.55 2gqe s THR 6 Cb 0.00 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 72.84 2gqe s THR 6 CO 0.00 0.00 -0.18 -1.66 -0.54 0.00 0.00 174.62 172.24 2gqe s TRP 7 N -1.24 1.77 0.32 3.99 1.48 -0.46 -4.93 118.94 119.87 2gqe s TRP 7 Ca 0.09 -0.52 -0.07 0.00 -1.06 0.00 0.00 56.10 54.55 2gqe s TRP 7 Cb -0.01 -1.19 -0.06 0.00 -1.16 0.00 0.00 33.47 31.05 2gqe s TRP 7 CO -0.07 -0.18 0.61 -0.51 -4.06 0.00 0.00 176.95 172.75 2gqe s ASP 8 N 0.04 6.47 0.73 -2.66 1.11 -1.26 -0.81 116.67 120.29 2gqe s ASP 8 Ca -0.04 0.83 -0.08 0.00 0.18 0.00 0.00 52.55 53.44 2gqe s ASP 8 Cb -0.12 -2.19 0.06 0.00 1.07 0.00 0.00 42.92 41.74 2gqe s ASP 8 CO 0.02 -0.25 1.06 0.00 1.18 0.00 0.00 175.17 177.19 2gqe n ASP 10 N -3.03 0.39 -0.05 0.00 2.03 -1.26 -4.24 116.55 110.39 2gqe n ASP 10 Ca 0.08 -0.80 -0.07 0.00 0.52 0.00 0.00 54.79 54.52 2gqe n ASP 10 Cb 0.60 0.15 -0.05 0.00 -0.72 0.00 0.00 41.12 41.10 2gqe n ASP 10 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2gqe n THR 11 N -0.15 0.57 0.04 5.18 -1.04 -1.26 -4.74 114.28 112.88 2gqe n THR 11 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 2gqe n THR 11 Cb 0.08 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2gqe n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gqe n LEU 13 N -0.21 -6.60 -3.64 0.00 4.77 -1.26 -5.02 117.00 105.05 2gqe n LEU 13 Ca 0.00 1.38 -0.10 0.00 -0.03 0.00 0.00 56.01 57.26 2gqe n LEU 13 Cb 0.02 -2.88 -0.07 0.00 -2.33 0.00 0.00 43.42 38.16 2gqe n LEU 13 CO 0.01 -3.02 0.68 0.54 -1.33 0.00 0.00 177.39 174.27 2gqe s VAL 14 N -1.22 0.00 0.15 4.08 0.11 -1.26 -4.85 120.40 117.40 2gqe s VAL 14 Ca -0.06 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.80 2gqe s VAL 14 Cb 0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 2gqe s VAL 14 CO 0.58 0.00 0.64 -1.10 -3.33 0.00 0.00 175.10 171.90 2gqe s GLN 15 N 0.23 4.23 0.02 1.54 1.11 -1.26 0.23 119.66 125.76 2gqe s GLN 15 Ca 0.02 0.79 -0.01 0.00 0.01 0.00 0.00 55.36 56.18 2gqe s GLN 15 Cb -0.05 -3.08 -0.02 0.00 -1.01 0.00 0.00 33.01 28.86 2gqe s GLN 15 CO -0.05 0.53 -0.01 -0.80 0.01 0.00 0.00 175.29 174.97 2gqe s ASN 16 N -1.40 0.22 0.49 5.90 0.01 0.01 -4.87 114.94 115.31 2gqe s ASN 16 Ca 0.36 -0.48 -0.23 0.00 -0.71 0.00 0.00 52.86 51.80 2gqe s ASN 16 Cb -0.18 0.11 -0.06 0.00 0.41 0.00 0.00 41.25 41.52 2gqe s ASN 16 CO 0.21 -0.31 1.34 -1.59 -1.51 0.00 0.00 177.10 175.24 2gqe s LYS 17 N -1.49 3.46 0.00 -0.60 -2.85 -1.26 -1.35 119.74 115.65 2gqe s LYS 17 Ca -0.16 2.20 0.14 0.00 -1.00 0.00 0.00 55.97 57.16 2gqe s LYS 17 Cb -0.09 -2.44 0.60 0.00 -2.06 0.00 0.00 37.83 33.84 2gqe s LYS 17 CO -0.01 -0.92 1.45 -0.35 0.10 0.00 0.00 175.35 175.61 2gqe n PRO 18 N -0.61 0.00 0.00 1.78 -0.04 -1.26 -2.02 135.00 132.86 2gqe n PRO 18 Ca 0.08 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 2gqe n PRO 18 Cb 0.44 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.84 2gqe n PRO 18 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2gqe n GLU 19 N -1.50 0.42 -2.27 0.54 2.13 -1.26 -4.89 120.64 113.81 2gqe n GLU 19 Ca 0.03 -0.20 -0.25 0.00 0.66 0.00 0.00 57.16 57.40 2gqe n GLU 19 Cb 0.16 -1.50 0.07 0.00 0.27 0.00 0.00 31.44 30.45 2gqe n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gqe s ALA 20 N -2.72 3.24 -0.03 4.31 0.00 -0.86 -5.03 121.76 120.69 2gqe s ALA 20 Ca 0.20 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.21 2gqe s ALA 20 Cb 0.19 -2.50 -0.14 0.00 0.00 0.00 0.00 23.12 20.66 2gqe s ALA 20 CO 0.57 -1.30 0.18 1.51 0.00 0.00 0.00 175.76 176.71 2gqe n ILE 21 N -2.89 0.11 -4.14 0.00 3.06 -1.26 -4.99 119.36 109.26 2gqe n ILE 21 Ca 0.09 -0.25 -0.15 0.00 -2.50 0.00 0.00 62.75 59.94 2gqe n ILE 21 Cb 0.60 0.09 -0.06 0.00 0.54 0.00 0.00 39.64 40.82 2gqe n ILE 21 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 2gqe s LYS 22 N -2.59 1.78 0.69 9.51 -2.85 -1.26 -0.77 119.74 124.25 2gqe s LYS 22 Ca -0.04 -1.77 -0.14 0.00 -1.00 0.00 0.00 55.97 53.02 2gqe s LYS 22 Cb 0.06 0.40 0.02 0.00 -2.06 0.00 0.00 37.83 36.24 2gqe s LYS 22 CO 0.39 -0.71 1.11 0.00 0.10 0.00 0.00 175.35 176.25 2gqe n VAL 24 N -2.71 1.92 0.00 0.00 3.14 -1.26 -3.26 118.33 116.15 2gqe n VAL 24 Ca 0.10 -1.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.06 2gqe n VAL 24 Cb 0.52 0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 2gqe n VAL 24 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gqe n ALA 25 N 0.36 2.36 0.20 1.55 0.00 -1.26 -4.87 120.51 118.85 2gqe n ALA 25 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.69 2gqe n ALA 25 Cb 0.82 0.23 -0.05 0.00 0.00 0.00 0.00 19.45 20.45 2gqe n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqe n GLU 27 N -1.43 -3.33 -3.28 0.00 1.02 -1.20 -4.97 120.64 107.44 2gqe n GLU 27 Ca 0.00 0.40 -0.36 0.00 -0.02 0.00 0.00 57.16 57.18 2gqe n GLU 27 Cb 0.15 -4.09 -0.06 0.00 -0.02 0.00 0.00 31.44 27.42 2gqe n GLU 27 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2gqe s THR 28 N -3.16 4.77 -0.21 2.62 2.01 -1.26 -4.64 115.64 115.77 2gqe s THR 28 Ca 0.09 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 62.76 2gqe s THR 28 Cb -0.04 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2gqe s THR 28 CO 0.34 0.24 1.60 -2.16 -0.69 0.00 0.00 174.62 173.95 2gqe s PRO 29 N -1.95 3.82 0.44 4.92 0.04 -1.26 -0.31 135.00 140.70 2gqe s PRO 29 Ca 0.39 1.68 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 2gqe s PRO 29 Cb -0.15 -4.02 -0.09 0.00 0.04 0.00 0.00 34.50 30.27 2gqe s PRO 29 CO 0.20 -1.26 1.32 1.17 0.04 0.00 0.00 177.00 178.47 2gqe n LYS 30 N 7.61 2.00 0.00 4.56 4.81 0.05 -4.96 118.16 132.23 2gqe n LYS 30 Ca 0.19 0.71 0.08 0.00 -0.87 0.00 0.00 58.31 58.42 2gqe n LYS 30 Cb 0.45 -2.47 0.46 0.00 0.02 0.00 0.00 35.03 33.49 2gqe n LYS 30 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22