#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 2.27 -1.48 1.61 0.09 -1.26 -5.04 115.29 111.48 2gqe s HIS 1 Ca 0.00 -0.92 -0.09 0.00 -0.00 0.00 0.00 55.06 54.05 2gqe s HIS 1 Cb 0.00 -1.54 0.02 0.00 -0.00 0.00 0.00 32.58 31.06 2gqe s HIS 1 CO 0.00 -0.39 2.58 -1.33 -0.00 0.00 0.00 174.74 175.61 2gqe n MET 2 N 3.61 3.88 -3.84 1.40 2.00 -1.26 -4.86 117.12 118.04 2gqe n MET 2 Ca -0.20 -2.78 -0.14 0.00 0.00 0.00 0.00 57.70 54.58 2gqe n MET 2 Cb 0.53 -2.82 -0.15 0.00 0.00 0.00 0.00 33.22 30.77 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 1.06 0.01 0.00 2.03 1.01 -1.26 -4.96 120.40 118.29 2gqe s VAL 3 Ca 0.59 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2gqe s VAL 3 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.47 2gqe s VAL 3 CO -0.07 0.06 0.00 -0.38 0.00 0.00 0.00 175.10 174.71 2gqe n ILE 4 N 3.67 0.00 0.00 2.22 2.08 -1.26 -4.96 119.36 121.11 2gqe n ILE 4 Ca -0.21 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 62.86 2gqe n ILE 4 Cb 0.55 0.81 0.00 0.00 -0.75 0.00 0.00 39.64 40.24 2gqe n ILE 4 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2gqe n GLY 5 N 1.02 -1.83 3.74 7.39 0.00 -1.26 -5.06 105.19 109.19 2gqe n GLY 5 Ca 0.00 0.83 -0.42 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 1.41 -4.17 2.61 -2.24 -1.26 -4.00 114.28 106.63 2gqe n THR 6 Ca 0.00 -0.35 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 2gqe n THR 6 Cb 0.00 -1.88 -0.08 0.00 -2.10 0.00 0.00 70.33 66.26 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 -0.45 3.33 -0.11 4.78 1.48 0.84 -4.83 118.94 123.98 2gqe s TRP 7 Ca 0.60 0.31 -0.15 0.00 -1.06 0.00 0.00 56.10 55.80 2gqe s TRP 7 Cb -0.51 -1.86 -0.05 0.00 -1.16 0.00 0.00 33.47 29.89 2gqe s TRP 7 CO 0.55 0.55 0.35 -0.51 -4.06 0.00 0.00 176.95 173.82 2gqe s ASP 8 N -0.85 6.58 1.34 -2.66 1.01 -1.26 -0.71 116.67 120.12 2gqe s ASP 8 Ca 0.13 0.69 -0.19 0.00 0.71 0.00 0.00 52.55 53.89 2gqe s ASP 8 Cb -0.12 -2.21 0.33 0.00 1.01 0.00 0.00 42.92 41.93 2gqe s ASP 8 CO 0.03 0.16 0.83 0.00 0.21 0.00 0.00 175.17 176.40 2gqe n ASP 10 N -5.01 0.45 0.04 0.00 2.03 -1.26 -4.58 116.55 108.22 2gqe n ASP 10 Ca 0.08 -1.19 0.00 0.00 0.52 0.00 0.00 54.79 54.20 2gqe n ASP 10 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 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 -0.10 0.37 0.07 5.18 -1.04 -1.26 -4.85 114.28 112.65 2gqe n THR 11 Ca 0.00 0.12 0.11 0.00 -2.04 0.00 0.00 64.05 62.24 2gqe n THR 11 Cb 0.37 -1.16 -0.05 0.00 -1.82 0.00 0.00 70.33 67.67 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 -2.58 -3.92 -3.73 0.00 4.77 -1.26 -5.07 117.00 105.21 2gqe n LEU 13 Ca -0.01 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2gqe n LEU 13 Cb 0.56 -1.90 -0.12 0.00 -2.33 0.00 0.00 43.42 39.64 2gqe n LEU 13 CO 0.42 -0.51 -0.06 -0.69 -1.33 0.00 0.00 177.39 175.21 2gqe s VAL 14 N -2.77 -0.03 0.36 4.08 1.01 -1.26 -4.90 120.40 116.90 2gqe s VAL 14 Ca 0.02 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 2gqe s VAL 14 Cb -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.83 2gqe s VAL 14 CO 0.29 0.04 0.88 -1.10 0.00 0.00 0.00 175.10 175.21 2gqe s GLN 15 N 1.00 4.27 0.05 2.72 1.11 -1.26 -0.95 119.66 126.61 2gqe s GLN 15 Ca -0.07 1.05 -0.07 0.00 0.01 0.00 0.00 55.36 56.28 2gqe s GLN 15 Cb -0.08 -2.45 -0.01 0.00 -1.01 0.00 0.00 33.01 29.47 2gqe s GLN 15 CO -0.07 0.12 0.13 -0.80 0.01 0.00 0.00 175.29 174.68 2gqe s ASN 16 N -2.01 0.17 0.47 5.90 0.01 0.11 -4.81 114.94 114.78 2gqe s ASN 16 Ca 0.56 -0.60 -0.22 0.00 -0.71 0.00 0.00 52.86 51.89 2gqe s ASN 16 Cb -0.12 0.27 -0.08 0.00 0.41 0.00 0.00 41.25 41.73 2gqe s ASN 16 CO 0.17 -0.59 1.11 -1.59 -1.51 0.00 0.00 177.10 174.69 2gqe s LYS 17 N -3.13 3.77 0.00 -0.60 -2.85 -1.26 -0.11 119.74 115.55 2gqe s LYS 17 Ca -0.01 1.60 0.14 0.00 -1.00 0.00 0.00 55.97 56.70 2gqe s LYS 17 Cb 0.02 -2.28 0.62 0.00 -2.06 0.00 0.00 37.83 34.12 2gqe s LYS 17 CO -0.07 -0.50 1.45 -0.35 0.10 0.00 0.00 175.35 175.97 2gqe n PRO 18 N -0.67 0.02 0.00 1.78 -0.04 -1.26 -2.01 135.00 132.82 2gqe n PRO 18 Ca 0.08 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 2gqe n PRO 18 Cb 0.50 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.41 -2.36 0.54 -0.58 -1.26 -4.89 120.64 111.02 2gqe n GLU 19 Ca 0.04 -0.20 -0.25 0.00 -0.42 0.00 0.00 57.16 56.33 2gqe n GLU 19 Cb 0.16 -1.50 0.09 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 -2.72 3.34 -0.02 0.62 0.00 -0.85 -5.03 121.76 117.09 2gqe s ALA 20 Ca 0.20 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 50.97 2gqe s ALA 20 Cb 0.19 -2.36 -0.11 0.00 0.00 0.00 0.00 23.12 20.84 2gqe s ALA 20 CO 0.57 -1.37 0.16 1.51 0.00 0.00 0.00 175.76 176.63 2gqe n ILE 21 N -2.89 0.00 -4.08 0.00 0.13 -1.26 -4.99 119.36 106.27 2gqe n ILE 21 Ca 0.11 -0.17 -0.14 0.00 -1.10 0.00 0.00 62.75 61.45 2gqe n ILE 21 Cb 0.60 0.36 -0.04 0.00 -0.84 0.00 0.00 39.64 39.72 2gqe n ILE 21 CO 0.00 0.00 0.00 -1.59 2.80 0.00 0.00 176.55 177.76 2gqe s LYS 22 N -2.47 1.87 0.61 9.51 -2.85 -1.26 -0.84 119.74 124.32 2gqe s LYS 22 Ca -0.02 -1.72 -0.17 0.00 -1.00 0.00 0.00 55.97 53.06 2gqe s LYS 22 Cb 0.05 0.44 -0.02 0.00 -2.06 0.00 0.00 37.83 36.23 2gqe s LYS 22 CO 0.29 -0.77 1.12 0.00 0.10 0.00 0.00 175.35 176.09 2gqe n VAL 24 N -1.98 2.47 0.00 0.00 3.14 -1.26 -3.20 118.33 117.50 2gqe n VAL 24 Ca 0.11 -1.56 0.00 0.00 -2.96 0.00 0.00 64.34 59.93 2gqe n VAL 24 Cb 0.52 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.08 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 0.24 2.56 0.27 1.55 0.00 -1.26 -4.89 120.51 118.99 2gqe n ALA 25 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.74 2gqe n ALA 25 Cb 1.04 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 20.56 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 -1.52 -3.26 -3.37 0.00 1.02 -1.19 -4.98 120.64 107.34 2gqe n GLU 27 Ca 0.00 0.40 -0.35 0.00 -0.02 0.00 0.00 57.16 57.19 2gqe n GLU 27 Cb 0.21 -4.09 -0.06 0.00 -0.02 0.00 0.00 31.44 27.48 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 -3.17 4.87 -0.21 2.62 2.01 -1.26 -4.66 115.64 115.84 2gqe s THR 28 Ca 0.06 0.81 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 2gqe s THR 28 Cb -0.02 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2gqe s THR 28 CO 0.34 0.24 1.59 -2.16 -0.69 0.00 0.00 174.62 173.95 2gqe s PRO 29 N -1.96 3.85 0.44 4.92 0.04 -1.26 -0.36 135.00 140.68 2gqe s PRO 29 Ca 0.38 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 2gqe s PRO 29 Cb -0.15 -4.01 -0.09 0.00 0.04 0.00 0.00 34.50 30.29 2gqe s PRO 29 CO 0.19 -1.22 1.33 1.17 0.04 0.00 0.00 177.00 178.51 2gqe n LYS 30 N 7.55 2.02 0.00 4.56 4.81 -0.02 -4.96 118.16 132.12 2gqe n LYS 30 Ca 0.18 0.72 0.08 0.00 -0.87 0.00 0.00 58.31 58.42 2gqe n LYS 30 Cb 0.45 -2.48 0.46 0.00 0.02 0.00 0.00 35.03 33.48 2gqe n LYS 30 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22