#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 3.39 -0.21 1.61 4.02 -1.26 -4.96 115.29 117.87 2gqe s HIS 1 Ca 0.00 1.63 -0.02 0.00 1.02 0.00 0.00 55.06 57.68 2gqe s HIS 1 Cb 0.00 -3.35 -0.12 0.00 -1.02 0.00 0.00 32.58 28.08 2gqe s HIS 1 CO 0.00 -0.89 -0.21 -1.33 1.02 0.00 0.00 174.74 173.33 2gqe n MET 2 N 0.85 0.50 -3.28 1.40 2.00 -1.26 -4.79 117.12 112.55 2gqe n MET 2 Ca 0.00 0.15 -0.46 0.00 0.00 0.00 0.00 57.70 57.39 2gqe n MET 2 Cb 0.45 -1.38 -0.01 0.00 0.00 0.00 0.00 33.22 32.28 2gqe n MET 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2gqe s VAL 3 N -2.41 5.70 -0.63 2.03 1.01 -1.26 -4.91 120.40 119.94 2gqe s VAL 3 Ca -0.29 -2.87 -0.04 0.00 0.00 0.00 0.00 61.98 58.78 2gqe s VAL 3 Cb 0.09 -4.58 0.06 0.00 0.00 0.00 0.00 36.38 31.94 2gqe s VAL 3 CO 0.45 -1.17 2.73 2.30 0.00 0.00 0.00 175.10 179.41 2gqe n ILE 4 N 3.52 3.73 -0.00 2.22 -5.35 -1.26 -4.11 119.36 118.11 2gqe n ILE 4 Ca 0.21 -3.22 0.01 0.00 -0.27 0.00 0.00 62.75 59.47 2gqe n ILE 4 Cb 0.43 -1.72 -0.01 0.00 -1.74 0.00 0.00 39.64 36.61 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 1.13 -0.05 3.24 3.28 0.00 -1.26 -5.06 105.19 106.47 2gqe n GLY 5 Ca 0.52 -0.03 -0.47 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.54 1.65 -3.97 2.61 -2.24 -1.26 -4.52 114.28 105.01 2gqe n THR 6 Ca -0.00 -0.41 -0.36 0.00 -2.27 0.00 0.00 64.05 61.00 2gqe n THR 6 Cb 0.03 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.83 3.48 0.09 4.78 1.48 0.10 -4.79 118.94 123.26 2gqe s TRP 7 Ca 0.64 0.43 -0.18 0.00 -1.06 0.00 0.00 56.10 55.93 2gqe s TRP 7 Cb -0.92 -1.93 -0.07 0.00 -1.16 0.00 0.00 33.47 29.39 2gqe s TRP 7 CO 0.53 0.63 0.56 -0.51 -4.06 0.00 0.00 176.95 174.10 2gqe s ASP 8 N -0.84 6.99 0.46 -2.66 1.11 -1.26 -0.46 116.67 120.01 2gqe s ASP 8 Ca 0.14 1.20 -0.20 0.00 0.18 0.00 0.00 52.55 53.87 2gqe s ASP 8 Cb -0.12 -2.34 -0.10 0.00 1.07 0.00 0.00 42.92 41.44 2gqe s ASP 8 CO 0.03 0.23 0.97 0.00 1.18 0.00 0.00 175.17 177.58 2gqe n ASP 10 N -0.97 2.75 0.00 0.00 -0.08 -1.26 -3.93 116.55 113.06 2gqe n ASP 10 Ca 0.07 -2.70 0.00 0.00 -1.51 0.00 0.00 54.79 50.65 2gqe n ASP 10 Cb 0.54 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.65 2gqe n ASP 10 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2gqe n THR 11 N -0.75 0.00 0.52 5.18 -1.04 -1.26 -4.84 114.28 112.09 2gqe n THR 11 Ca 0.13 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.20 2gqe n THR 11 Cb 0.60 -1.08 0.03 0.00 -1.82 0.00 0.00 70.33 68.06 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 0.36 -7.27 -3.64 0.00 4.77 -1.25 -5.04 117.00 104.92 2gqe n LEU 13 Ca 0.06 1.38 -0.05 0.00 -0.03 0.00 0.00 56.01 57.37 2gqe n LEU 13 Cb 0.29 -3.10 -0.07 0.00 -2.33 0.00 0.00 43.42 38.21 2gqe n LEU 13 CO 0.10 -3.07 0.83 0.54 -1.33 0.00 0.00 177.39 174.47 2gqe s VAL 14 N -1.46 0.00 0.25 4.08 0.11 -1.26 -4.89 120.40 117.24 2gqe s VAL 14 Ca -0.02 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.84 2gqe s VAL 14 Cb 0.00 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.77 2gqe s VAL 14 CO 0.68 0.00 0.74 -1.10 -3.33 0.00 0.00 175.10 172.08 2gqe s GLN 15 N 0.60 4.20 0.01 1.54 -0.21 -1.26 -0.30 119.66 124.23 2gqe s GLN 15 Ca -0.01 0.83 -0.01 0.00 0.02 0.00 0.00 55.36 56.20 2gqe s GLN 15 Cb -0.04 -2.75 -0.01 0.00 1.00 0.00 0.00 33.01 31.20 2gqe s GLN 15 CO -0.11 0.32 0.00 -0.80 -2.12 0.00 0.00 175.29 172.59 2gqe s ASN 16 N -1.82 0.15 0.49 5.90 0.01 0.39 -4.88 114.94 115.18 2gqe s ASN 16 Ca 0.46 -0.32 -0.24 0.00 -0.71 0.00 0.00 52.86 52.05 2gqe s ASN 16 Cb -0.15 0.10 -0.07 0.00 0.41 0.00 0.00 41.25 41.54 2gqe s ASN 16 CO 0.20 -0.23 1.34 2.29 -1.51 0.00 0.00 177.10 179.19 2gqe n LYS 17 N 1.96 1.88 0.00 -0.60 2.85 -1.26 0.01 118.16 123.00 2gqe n LYS 17 Ca -0.21 0.68 0.07 0.00 -1.05 0.00 0.00 58.31 57.80 2gqe n LYS 17 Cb 0.56 -2.52 0.31 0.00 -0.65 0.00 0.00 35.03 32.73 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 -0.50 0.02 0.00 -1.58 -0.04 -1.26 -2.01 135.00 129.62 2gqe n PRO 18 Ca 0.08 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 2gqe n PRO 18 Cb 0.43 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.39 -2.29 0.54 -0.58 -1.26 -4.89 120.64 111.07 2gqe n GLU 19 Ca 0.04 -0.19 -0.25 0.00 -0.42 0.00 0.00 57.16 56.34 2gqe n GLU 19 Cb 0.16 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.62 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 -2.74 3.24 -0.01 0.62 0.00 -0.85 -5.03 121.76 116.98 2gqe s ALA 20 Ca 0.19 -1.14 0.07 0.00 0.00 0.00 0.00 51.96 51.09 2gqe s ALA 20 Cb 0.19 -2.46 -0.11 0.00 0.00 0.00 0.00 23.12 20.74 2gqe s ALA 20 CO 0.57 -1.38 0.15 -0.89 0.00 0.00 0.00 175.76 174.22 2gqe n ILE 21 N -2.93 0.04 -4.14 0.00 -0.00 -1.26 -4.99 119.36 106.07 2gqe n ILE 21 Ca 0.10 -0.18 -0.15 0.00 -0.00 0.00 0.00 62.75 62.52 2gqe n ILE 21 Cb 0.60 0.24 -0.06 0.00 -0.00 0.00 0.00 39.64 40.43 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 -2.50 1.78 0.60 0.38 0.00 -1.26 -0.84 119.74 117.91 2gqe s LYS 22 Ca -0.03 -1.78 -0.16 0.00 0.00 0.00 0.00 55.97 54.00 2gqe s LYS 22 Cb 0.05 0.40 -0.03 0.00 0.00 0.00 0.00 37.83 38.24 2gqe s LYS 22 CO 0.31 -0.70 1.09 0.00 0.00 0.00 0.00 175.35 176.05 2gqe n VAL 24 N -1.97 1.97 0.00 0.00 3.14 -1.26 -3.03 118.33 117.17 2gqe n VAL 24 Ca 0.10 -1.30 0.00 0.00 -2.96 0.00 0.00 64.34 60.18 2gqe n VAL 24 Cb 0.52 0.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 0.80 2.69 0.47 1.55 0.00 -1.26 -4.87 120.51 119.89 2gqe n ALA 25 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.73 2gqe n ALA 25 Cb 0.90 0.22 -0.06 0.00 0.00 0.00 0.00 19.45 20.51 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 -1.23 -5.18 -3.06 0.00 1.02 -1.17 -4.95 120.64 106.07 2gqe n GLU 27 Ca 0.02 0.60 -0.36 0.00 -0.02 0.00 0.00 57.16 57.39 2gqe n GLU 27 Cb 0.15 -4.90 -0.06 0.00 -0.02 0.00 0.00 31.44 26.61 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 4.52 -0.31 2.62 2.01 -1.26 -4.60 115.64 115.37 2gqe s THR 28 Ca 0.20 1.36 -0.29 0.00 0.31 0.00 0.00 61.69 63.27 2gqe s THR 28 Cb -0.09 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2gqe s THR 28 CO 0.52 0.21 1.67 -2.16 -0.69 0.00 0.00 174.62 174.17 2gqe s PRO 29 N -1.97 3.51 0.39 4.92 0.04 -1.26 -0.53 135.00 140.11 2gqe s PRO 29 Ca 0.44 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.63 2gqe s PRO 29 Cb -0.17 -4.12 -0.11 0.00 0.04 0.00 0.00 34.50 30.14 2gqe s PRO 29 CO 0.21 -1.64 0.97 1.17 0.04 0.00 0.00 177.00 177.76 2gqe n LYS 30 N 8.15 1.29 0.00 4.56 4.81 -0.02 -4.97 118.16 131.98 2gqe n LYS 30 Ca 0.21 0.46 0.08 0.00 -0.87 0.00 0.00 58.31 58.18 2gqe n LYS 30 Cb 0.46 -1.96 0.46 0.00 0.02 0.00 0.00 35.03 34.02 2gqe n LYS 30 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22