#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqe n HIS 1 N 0.00 0.00 -4.41 1.61 -0.00 -1.26 -5.08 115.22 106.08 2gqe n HIS 1 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 2gqe n HIS 1 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 2gqe n HIS 1 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2gqe s MET 2 N -1.67 1.54 0.00 -0.41 0.00 -1.26 -5.05 119.30 112.45 2gqe s MET 2 Ca 0.00 -1.81 0.06 0.00 0.00 0.00 0.00 55.69 53.94 2gqe s MET 2 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 34.83 33.90 2gqe s MET 2 CO 0.00 -0.08 0.43 0.28 0.00 0.00 0.00 175.02 175.65 2gqe n VAL 3 N -0.58 0.00 -3.75 5.16 0.31 -1.26 -5.00 118.33 113.20 2gqe n VAL 3 Ca -0.04 -0.42 -0.29 0.00 -0.01 0.00 0.00 64.34 63.58 2gqe n VAL 3 Cb 0.65 1.06 0.01 0.00 -0.91 0.00 0.00 33.84 34.65 2gqe n VAL 3 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2gqe n ILE 4 N -0.54 -1.66 -3.68 2.52 5.41 -1.26 -4.95 119.36 115.20 2gqe n ILE 4 Ca 0.02 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.65 2gqe n ILE 4 Cb 0.12 -2.53 -0.09 0.00 -0.71 0.00 0.00 39.64 36.44 2gqe n ILE 4 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2gqe s GLY 5 N -3.11 -0.45 -0.29 7.39 0.00 -1.26 -5.16 107.32 104.44 2gqe s GLY 5 Ca 0.59 1.73 -0.29 0.00 0.00 0.00 0.00 44.72 46.75 2gqe s GLY 5 CO 0.73 1.62 1.37 -0.51 0.00 0.00 0.00 173.10 176.30 2gqe s THR 6 N 0.74 0.00 -0.04 0.90 -4.23 -1.26 -4.23 115.64 107.52 2gqe s THR 6 Ca -0.04 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.53 2gqe s THR 6 Cb -0.05 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.78 2gqe s THR 6 CO -0.05 0.00 -0.20 -1.66 -0.54 0.00 0.00 174.62 172.17 2gqe s TRP 7 N -1.05 1.93 0.31 3.99 1.48 -0.45 -4.93 118.94 120.23 2gqe s TRP 7 Ca 0.09 -0.52 -0.06 0.00 -1.06 0.00 0.00 56.10 54.55 2gqe s TRP 7 Cb -0.01 -1.28 -0.05 0.00 -1.16 0.00 0.00 33.47 30.97 2gqe s TRP 7 CO -0.08 -0.15 0.60 -0.51 -4.06 0.00 0.00 176.95 172.75 2gqe s ASP 8 N -0.13 6.47 0.68 -2.66 1.01 -1.26 -0.77 116.67 120.01 2gqe s ASP 8 Ca -0.01 0.81 -0.09 0.00 0.71 0.00 0.00 52.55 53.97 2gqe s ASP 8 Cb -0.11 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.65 2gqe s ASP 8 CO 0.02 -0.24 1.03 0.00 0.21 0.00 0.00 175.17 176.19 2gqe n ASP 10 N -2.90 0.76 -0.01 0.00 2.03 -1.26 -4.27 116.55 110.90 2gqe n ASP 10 Ca 0.06 -0.95 -0.05 0.00 0.52 0.00 0.00 54.79 54.37 2gqe n ASP 10 Cb 0.58 0.07 -0.02 0.00 -0.72 0.00 0.00 41.12 41.03 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 -0.07 0.90 0.92 5.18 -1.04 -1.26 -4.78 114.28 114.13 2gqe n THR 11 Ca 0.00 0.13 0.10 0.00 -2.04 0.00 0.00 64.05 62.24 2gqe n THR 11 Cb 0.04 -1.71 -0.09 0.00 -1.82 0.00 0.00 70.33 66.75 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 -1.56 -7.11 -3.61 0.00 4.77 -1.26 -5.03 117.00 103.19 2gqe n LEU 13 Ca 0.04 1.28 -0.11 0.00 -0.03 0.00 0.00 56.01 57.18 2gqe n LEU 13 Cb 0.35 -3.02 -0.07 0.00 -2.33 0.00 0.00 43.42 38.35 2gqe n LEU 13 CO 0.42 -2.81 0.64 0.54 -1.33 0.00 0.00 177.39 174.85 2gqe s VAL 14 N -1.36 0.00 0.13 4.08 0.11 -1.26 -4.85 120.40 117.25 2gqe s VAL 14 Ca -0.01 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.85 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 0.68 0.00 0.62 -1.10 -3.33 0.00 0.00 175.10 171.96 2gqe s GLN 15 N -0.11 4.19 0.02 1.54 1.11 -1.26 0.24 119.66 125.39 2gqe s GLN 15 Ca 0.00 0.74 -0.00 0.00 0.01 0.00 0.00 55.36 56.11 2gqe s GLN 15 Cb -0.04 -3.08 -0.02 0.00 -1.01 0.00 0.00 33.01 28.86 2gqe s GLN 15 CO -0.02 0.54 -0.02 -0.80 0.01 0.00 0.00 175.29 175.00 2gqe s ASN 16 N -1.39 0.27 0.49 5.90 0.02 0.05 -4.87 114.94 115.40 2gqe s ASN 16 Ca 0.35 -0.56 -0.24 0.00 -1.02 0.00 0.00 52.86 51.39 2gqe s ASN 16 Cb -0.18 0.12 -0.07 0.00 0.02 0.00 0.00 41.25 41.14 2gqe s ASN 16 CO 0.20 -0.35 1.35 -1.59 0.02 0.00 0.00 177.10 176.73 2gqe s LYS 17 N -1.81 3.51 0.00 -0.60 -2.85 -1.26 -1.34 119.74 115.39 2gqe s LYS 17 Ca -0.13 2.22 0.14 0.00 -1.00 0.00 0.00 55.97 57.21 2gqe s LYS 17 Cb -0.07 -2.47 0.62 0.00 -2.06 0.00 0.00 37.83 33.85 2gqe s LYS 17 CO -0.02 -0.89 1.46 -0.35 0.10 0.00 0.00 175.35 175.64 2gqe n PRO 18 N -0.53 0.01 0.00 1.78 -0.04 -1.26 -2.01 135.00 132.95 2gqe n PRO 18 Ca 0.07 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 2gqe n PRO 18 Cb 0.44 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.83 2gqe n PRO 18 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2gqe n GLU 19 N -1.49 0.44 -2.32 0.54 -0.58 -1.26 -4.89 120.64 111.08 2gqe n GLU 19 Ca 0.04 -0.21 -0.25 0.00 -0.42 0.00 0.00 57.16 56.32 2gqe n GLU 19 Cb 0.17 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.61 2gqe n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2gqe s ALA 20 N -2.70 3.33 -0.02 0.62 0.00 -0.85 -5.03 121.76 117.10 2gqe s ALA 20 Ca 0.20 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 51.16 2gqe s ALA 20 Cb 0.19 -2.45 -0.13 0.00 0.00 0.00 0.00 23.12 20.73 2gqe s ALA 20 CO 0.56 -1.23 0.17 -0.89 0.00 0.00 0.00 175.76 174.37 2gqe n ILE 21 N -2.82 0.09 -4.14 0.00 -0.00 -1.26 -4.99 119.36 106.24 2gqe n ILE 21 Ca 0.09 -0.23 -0.13 0.00 -0.00 0.00 0.00 62.75 62.48 2gqe n ILE 21 Cb 0.60 0.12 -0.07 0.00 -0.00 0.00 0.00 39.64 40.29 2gqe n ILE 21 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 2gqe s LYS 22 N -2.54 1.57 0.77 0.38 0.00 -1.26 -0.89 119.74 117.77 2gqe s LYS 22 Ca -0.03 -1.65 -0.13 0.00 0.00 0.00 0.00 55.97 54.16 2gqe s LYS 22 Cb 0.05 0.37 0.06 0.00 0.00 0.00 0.00 37.83 38.31 2gqe s LYS 22 CO 0.36 -0.60 1.14 0.00 0.00 0.00 0.00 175.35 176.25 2gqe n VAL 24 N -3.22 1.78 0.00 0.00 3.14 -1.26 -3.37 118.33 115.40 2gqe n VAL 24 Ca 0.11 -1.36 0.00 0.00 -2.96 0.00 0.00 64.34 60.13 2gqe n VAL 24 Cb 0.52 0.10 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 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 0.45 2.67 0.46 1.55 0.00 -1.26 -4.87 120.51 119.51 2gqe n ALA 25 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.70 2gqe n ALA 25 Cb 0.78 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 20.36 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 -1.35 -4.68 -3.25 0.00 1.02 -1.22 -4.96 120.64 106.21 2gqe n GLU 27 Ca 0.02 0.57 -0.35 0.00 -0.02 0.00 0.00 57.16 57.38 2gqe n GLU 27 Cb 0.19 -4.77 -0.06 0.00 -0.02 0.00 0.00 31.44 26.78 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 -3.24 4.75 -0.21 2.62 2.01 -1.26 -4.63 115.64 115.68 2gqe s THR 28 Ca 0.09 0.97 -0.29 0.00 0.31 0.00 0.00 61.69 62.77 2gqe s THR 28 Cb -0.04 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2gqe s THR 28 CO 0.49 0.17 1.60 -2.16 -0.69 0.00 0.00 174.62 174.02 2gqe s PRO 29 N -2.13 3.84 0.45 4.92 0.04 -1.26 -0.36 135.00 140.51 2gqe s PRO 29 Ca 0.42 1.69 -0.25 0.00 0.04 0.00 0.00 61.00 62.90 2gqe s PRO 29 Cb -0.15 -4.02 -0.08 0.00 0.04 0.00 0.00 34.50 30.29 2gqe s PRO 29 CO 0.20 -1.23 1.40 1.17 0.04 0.00 0.00 177.00 178.57 2gqe n LYS 30 N 7.57 2.15 0.00 4.56 4.81 -0.07 -4.96 118.16 132.22 2gqe n LYS 30 Ca 0.18 0.77 0.08 0.00 -0.87 0.00 0.00 58.31 58.47 2gqe n LYS 30 Cb 0.45 -2.58 0.47 0.00 0.02 0.00 0.00 35.03 33.39 2gqe n LYS 30 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22