#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 1.97 -0.24 1.61 4.02 -1.26 -5.11 115.29 116.27 2gqe s HIS 1 Ca 0.00 -1.03 -0.01 0.00 1.02 0.00 0.00 55.06 55.04 2gqe s HIS 1 Cb 0.00 -1.47 0.03 0.00 -1.02 0.00 0.00 32.58 30.12 2gqe s HIS 1 CO 0.00 -0.58 -0.07 1.41 1.02 0.00 0.00 174.74 176.52 2gqe s MET 2 N 1.38 2.80 0.33 1.40 1.75 -1.26 -5.10 119.30 120.61 2gqe s MET 2 Ca 0.02 -1.00 -0.28 0.00 -1.25 0.00 0.00 55.69 53.18 2gqe s MET 2 Cb -0.13 -2.95 -0.09 0.00 2.84 0.00 0.00 34.83 34.49 2gqe s MET 2 CO -0.08 -0.40 1.16 0.54 -0.65 0.00 0.00 175.02 175.60 2gqe s VAL 3 N 1.31 3.24 -0.50 10.11 0.11 -1.26 -4.98 120.40 128.43 2gqe s VAL 3 Ca -0.00 1.17 0.05 0.00 -2.93 0.00 0.00 61.98 60.27 2gqe s VAL 3 Cb -0.17 -3.71 0.38 0.00 -1.53 0.00 0.00 36.38 31.36 2gqe s VAL 3 CO -0.05 0.22 1.03 2.30 -3.33 0.00 0.00 175.10 175.27 2gqe n ILE 4 N 0.71 2.63 -0.06 7.04 -5.35 -1.26 -4.74 119.36 118.33 2gqe n ILE 4 Ca 0.01 -5.19 -0.03 0.00 -0.27 0.00 0.00 62.75 57.26 2gqe n ILE 4 Cb 0.45 -1.28 -0.13 0.00 -1.74 0.00 0.00 39.64 36.94 2gqe n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gqe n GLY 5 N -0.36 -0.81 3.59 3.28 0.00 -1.26 -5.00 105.19 104.64 2gqe n GLY 5 Ca 0.35 -0.32 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 2gqe n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gqe n THR 6 N -2.46 1.67 -3.86 2.61 -2.24 -1.26 -4.32 114.28 104.42 2gqe n THR 6 Ca -0.20 -0.42 -0.37 0.00 -2.27 0.00 0.00 64.05 60.79 2gqe n THR 6 Cb 0.86 -0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 2gqe n THR 6 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2gqe s TRP 7 N -0.79 3.61 -0.05 4.78 1.48 0.75 -4.79 118.94 123.92 2gqe s TRP 7 Ca 0.63 0.55 -0.17 0.00 -1.06 0.00 0.00 56.10 56.05 2gqe s TRP 7 Cb -0.74 -1.96 -0.05 0.00 -1.16 0.00 0.00 33.47 29.56 2gqe s TRP 7 CO 0.57 0.73 0.45 -0.51 -4.06 0.00 0.00 176.95 174.13 2gqe s ASP 8 N -1.04 6.76 0.68 -2.66 1.01 -1.26 -0.61 116.67 119.55 2gqe s ASP 8 Ca 0.16 0.91 -0.13 0.00 0.71 0.00 0.00 52.55 54.19 2gqe s ASP 8 Cb -0.12 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.54 2gqe s ASP 8 CO 0.05 0.17 1.08 0.00 0.21 0.00 0.00 175.17 176.68 2gqe n ASP 10 N -2.75 1.97 0.00 0.00 2.03 -1.26 -4.17 116.55 112.38 2gqe n ASP 10 Ca 0.09 -2.61 0.00 0.00 0.52 0.00 0.00 54.79 52.79 2gqe n ASP 10 Cb 0.53 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 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 -1.00 0.00 0.55 5.18 -1.04 -1.26 -4.85 114.28 111.86 2gqe n THR 11 Ca 0.10 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.17 2gqe n THR 11 Cb 0.53 -0.76 0.01 0.00 -1.82 0.00 0.00 70.33 68.29 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 -0.02 -7.48 -3.64 0.00 4.32 -1.26 -5.04 117.00 103.88 2gqe n LEU 13 Ca 0.06 0.95 -0.08 0.00 -0.02 0.00 0.00 56.01 56.92 2gqe n LEU 13 Cb 0.27 -3.19 -0.07 0.00 -1.62 0.00 0.00 43.42 38.81 2gqe n LEU 13 CO 0.14 -2.63 0.69 0.54 -1.22 0.00 0.00 177.39 174.91 2gqe s VAL 14 N -1.98 0.00 0.31 4.08 0.11 -1.26 -4.91 120.40 116.76 2gqe s VAL 14 Ca 0.12 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.01 2gqe s VAL 14 Cb -0.03 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.73 2gqe s VAL 14 CO 0.74 0.00 0.74 -1.10 -3.33 0.00 0.00 175.10 172.15 2gqe s GLN 15 N 0.59 4.03 -0.01 1.54 1.11 -1.26 -0.33 119.66 125.33 2gqe s GLN 15 Ca -0.01 0.70 -0.06 0.00 0.01 0.00 0.00 55.36 56.00 2gqe s GLN 15 Cb -0.05 -2.48 0.00 0.00 -1.01 0.00 0.00 33.01 29.48 2gqe s GLN 15 CO -0.09 0.18 0.12 -0.80 0.01 0.00 0.00 175.29 174.72 2gqe s ASN 16 N -2.20 0.01 0.49 5.90 0.02 0.22 -4.86 114.94 114.52 2gqe s ASN 16 Ca 0.53 -0.14 -0.24 0.00 -1.02 0.00 0.00 52.86 52.00 2gqe s ASN 16 Cb -0.11 0.21 -0.07 0.00 0.02 0.00 0.00 41.25 41.30 2gqe s ASN 16 CO 0.18 -0.30 1.36 2.29 0.02 0.00 0.00 177.10 180.65 2gqe n LYS 17 N 1.76 1.94 0.00 -0.60 2.85 -1.26 -0.18 118.16 122.68 2gqe n LYS 17 Ca -0.21 0.70 0.07 0.00 -1.05 0.00 0.00 58.31 57.82 2gqe n LYS 17 Cb 0.56 -2.55 0.31 0.00 -0.65 0.00 0.00 35.03 32.70 2gqe n LYS 17 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2gqe n PRO 18 N -0.48 0.02 0.00 -1.58 -0.04 -1.26 -2.01 135.00 129.65 2gqe n PRO 18 Ca 0.08 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 2gqe n PRO 18 Cb 0.42 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.48 0.43 -2.31 0.54 1.02 -1.26 -4.89 120.64 112.69 2gqe n GLU 19 Ca 0.04 -0.21 -0.25 0.00 -0.02 0.00 0.00 57.16 56.72 2gqe n GLU 19 Cb 0.16 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.15 2gqe n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gqe s ALA 20 N -2.71 3.34 -0.04 0.62 0.00 -0.85 -5.03 121.76 117.10 2gqe s ALA 20 Ca 0.20 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.22 2gqe s ALA 20 Cb 0.19 -2.46 -0.15 0.00 0.00 0.00 0.00 23.12 20.70 2gqe s ALA 20 CO 0.56 -1.18 0.17 -0.89 0.00 0.00 0.00 175.76 174.43 2gqe n ILE 21 N -2.78 0.18 -4.22 0.00 2.08 -1.26 -4.98 119.36 108.37 2gqe n ILE 21 Ca 0.08 -0.28 -0.18 0.00 0.56 0.00 0.00 62.75 62.93 2gqe n ILE 21 Cb 0.60 -0.02 -0.07 0.00 -0.75 0.00 0.00 39.64 39.40 2gqe n ILE 21 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 2gqe s LYS 22 N -2.58 1.77 0.56 0.38 -2.85 -1.26 -0.88 119.74 114.89 2gqe s LYS 22 Ca -0.04 -1.93 -0.17 0.00 -1.00 0.00 0.00 55.97 52.83 2gqe s LYS 22 Cb 0.05 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 2gqe s LYS 22 CO 0.41 -0.68 1.06 0.00 0.10 0.00 0.00 175.35 176.25 2gqe n VAL 24 N -1.73 2.23 0.00 0.00 3.14 -1.26 -3.04 118.33 117.67 2gqe n VAL 24 Ca 0.09 -1.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.05 2gqe n VAL 24 Cb 0.53 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.23 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 0.53 2.47 0.27 1.55 0.00 -1.26 -4.88 120.51 119.19 2gqe n ALA 25 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.72 2gqe n ALA 25 Cb 0.98 0.19 -0.04 0.00 0.00 0.00 0.00 19.45 20.57 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 -1.27 -4.19 -3.26 0.00 1.02 -1.17 -4.96 120.64 106.81 2gqe n GLU 27 Ca 0.01 0.50 -0.36 0.00 -0.02 0.00 0.00 57.16 57.29 2gqe n GLU 27 Cb 0.12 -4.49 -0.06 0.00 -0.02 0.00 0.00 31.44 26.99 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 -3.20 4.74 -0.29 2.62 2.01 -1.26 -4.62 115.64 115.64 2gqe s THR 28 Ca 0.12 1.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.87 2gqe s THR 28 Cb -0.05 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 2gqe s THR 28 CO 0.43 0.27 1.65 -2.16 -0.69 0.00 0.00 174.62 174.12 2gqe s PRO 29 N -1.86 3.59 0.39 4.92 0.04 -1.26 -0.47 135.00 140.34 2gqe s PRO 29 Ca 0.39 1.46 -0.25 0.00 0.04 0.00 0.00 61.00 62.64 2gqe s PRO 29 Cb -0.16 -4.09 -0.11 0.00 0.04 0.00 0.00 34.50 30.17 2gqe s PRO 29 CO 0.20 -1.55 1.01 1.17 0.04 0.00 0.00 177.00 177.87 2gqe n LYS 30 N 8.02 1.36 0.00 4.56 4.81 -0.06 -4.97 118.16 131.87 2gqe n LYS 30 Ca 0.20 0.49 0.08 0.00 -0.87 0.00 0.00 58.31 58.20 2gqe n LYS 30 Cb 0.46 -2.00 0.46 0.00 0.02 0.00 0.00 35.03 33.97 2gqe n LYS 30 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22