#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 -0.36 0.54 1.61 5.65 -1.26 -5.17 115.29 116.30 2gqe s HIS 1 Ca 0.00 0.61 -0.07 0.00 0.25 0.00 0.00 55.06 55.85 2gqe s HIS 1 Cb 0.00 0.45 -0.03 0.00 -1.18 0.00 0.00 32.58 31.82 2gqe s HIS 1 CO 0.00 -0.34 0.88 1.41 -0.65 0.00 0.00 174.74 176.04 2gqe s MET 2 N -1.14 3.48 0.13 2.88 -2.45 -1.26 -5.08 119.30 115.87 2gqe s MET 2 Ca -0.01 0.35 -0.06 0.00 -1.25 0.00 0.00 55.69 54.72 2gqe s MET 2 Cb -0.00 -2.27 -0.06 0.00 1.25 0.00 0.00 34.83 33.75 2gqe s MET 2 CO 0.01 -0.38 0.39 0.54 1.05 0.00 0.00 175.02 176.63 2gqe s VAL 3 N -2.91 5.15 -0.30 10.11 0.11 -1.26 -5.08 120.40 126.21 2gqe s VAL 3 Ca 0.51 0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.66 2gqe s VAL 3 Cb -0.11 -3.62 0.10 0.00 -1.53 0.00 0.00 36.38 31.22 2gqe s VAL 3 CO 0.48 0.08 0.12 -0.63 -3.33 0.00 0.00 175.10 171.82 2gqe s ILE 4 N -1.61 0.39 0.00 7.04 -1.09 -1.26 -4.92 121.20 119.75 2gqe s ILE 4 Ca 0.40 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.73 2gqe s ILE 4 Cb -0.12 -1.32 0.00 0.00 -1.58 0.00 0.00 42.46 39.44 2gqe s ILE 4 CO 0.23 -0.71 0.16 0.61 -1.23 0.00 0.00 174.94 174.00 2gqe n GLY 5 N 5.04 -0.25 3.28 6.18 0.00 -1.26 -5.11 105.19 113.06 2gqe n GLY 5 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 0.56 -4.26 2.61 -2.24 -1.26 -4.62 114.28 105.07 2gqe n THR 6 Ca 0.00 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 60.95 2gqe n THR 6 Cb 0.33 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.71 3.14 0.13 4.78 1.48 0.27 -4.81 118.94 122.21 2gqe s TRP 7 Ca 0.59 0.13 -0.12 0.00 -1.06 0.00 0.00 56.10 55.63 2gqe s TRP 7 Cb -0.62 -1.71 -0.06 0.00 -1.16 0.00 0.00 33.47 29.92 2gqe s TRP 7 CO 0.63 0.48 0.49 -0.51 -4.06 0.00 0.00 176.95 173.98 2gqe s ASP 8 N -1.47 6.74 0.76 -2.66 1.11 -1.26 -0.71 116.67 119.17 2gqe s ASP 8 Ca 0.19 0.95 -0.11 0.00 0.18 0.00 0.00 52.55 53.76 2gqe s ASP 8 Cb -0.12 -2.24 0.05 0.00 1.07 0.00 0.00 42.92 41.68 2gqe s ASP 8 CO 0.09 0.11 1.10 0.00 1.18 0.00 0.00 175.17 177.66 2gqe n ASP 10 N -3.24 1.00 0.03 0.00 2.03 -1.26 -4.22 116.55 110.88 2gqe n ASP 10 Ca 0.07 -1.00 -0.01 0.00 0.52 0.00 0.00 54.79 54.37 2gqe n ASP 10 Cb 0.57 0.21 -0.00 0.00 -0.72 0.00 0.00 41.12 41.18 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 1.21 0.37 5.18 -1.04 -1.26 -4.76 114.28 113.89 2gqe n THR 11 Ca 0.01 0.35 0.11 0.00 -2.04 0.00 0.00 64.05 62.48 2gqe n THR 11 Cb 0.06 -1.68 0.27 0.00 -1.82 0.00 0.00 70.33 67.16 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 1.18 -3.87 -3.62 0.00 7.99 -1.26 -4.98 117.00 112.43 2gqe n LEU 13 Ca 0.19 0.47 -0.14 0.00 -0.01 0.00 0.00 56.01 56.52 2gqe n LEU 13 Cb 0.51 -1.70 -0.07 0.00 -0.11 0.00 0.00 43.42 42.05 2gqe n LEU 13 CO 0.14 -1.53 0.48 0.54 -1.51 0.00 0.00 177.39 175.52 2gqe s VAL 14 N -1.05 0.00 0.14 4.08 0.11 -1.26 -4.84 120.40 117.58 2gqe s VAL 14 Ca 0.00 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 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 0.06 0.00 0.62 -1.10 -3.33 0.00 0.00 175.10 171.36 2gqe s GLN 15 N 0.17 4.18 0.04 1.54 -0.21 -1.26 -0.02 119.66 124.10 2gqe s GLN 15 Ca -0.01 0.74 -0.01 0.00 0.02 0.00 0.00 55.36 56.10 2gqe s GLN 15 Cb -0.04 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.88 2gqe s GLN 15 CO 0.01 0.52 -0.01 -0.80 -2.12 0.00 0.00 175.29 172.89 2gqe s ASN 16 N -1.44 0.39 0.42 5.90 0.02 0.12 -4.91 114.94 115.44 2gqe s ASN 16 Ca 0.36 -0.83 -0.26 0.00 -1.02 0.00 0.00 52.86 51.11 2gqe s ASN 16 Cb -0.18 0.18 -0.08 0.00 0.02 0.00 0.00 41.25 41.19 2gqe s ASN 16 CO 0.20 -0.52 1.33 -1.59 0.02 0.00 0.00 177.10 176.54 2gqe s LYS 17 N -3.21 3.88 0.01 -0.60 -2.85 -1.26 -0.57 119.74 115.15 2gqe s LYS 17 Ca 0.00 2.21 0.15 0.00 -1.00 0.00 0.00 55.97 57.33 2gqe s LYS 17 Cb 0.03 -2.72 0.63 0.00 -2.06 0.00 0.00 37.83 33.71 2gqe s LYS 17 CO -0.07 -0.58 1.47 -0.35 0.10 0.00 0.00 175.35 175.91 2gqe n PRO 18 N 0.02 0.01 0.00 1.78 -0.04 -1.26 -2.01 135.00 133.50 2gqe n PRO 18 Ca 0.04 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 2gqe n PRO 18 Cb 0.43 -1.52 0.43 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 -1.53 0.44 -2.31 0.54 1.02 -1.26 -4.89 120.64 112.65 2gqe n GLU 19 Ca 0.03 -0.21 -0.26 0.00 -0.02 0.00 0.00 57.16 56.70 2gqe n GLU 19 Cb 0.17 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.70 3.26 -0.07 0.62 0.00 -0.85 -5.02 121.76 116.99 2gqe s ALA 20 Ca 0.20 -0.86 0.14 0.00 0.00 0.00 0.00 51.96 51.44 2gqe s ALA 20 Cb 0.19 -2.57 -0.20 0.00 0.00 0.00 0.00 23.12 20.54 2gqe s ALA 20 CO 0.56 -1.06 0.20 -0.89 0.00 0.00 0.00 175.76 174.57 2gqe n ILE 21 N -2.75 0.43 -4.22 0.00 5.41 -1.26 -4.98 119.36 112.00 2gqe n ILE 21 Ca 0.07 -0.45 -0.18 0.00 1.00 0.00 0.00 62.75 63.19 2gqe n ILE 21 Cb 0.59 -0.20 -0.07 0.00 -0.71 0.00 0.00 39.64 39.25 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 -2.71 1.81 0.51 0.38 -2.85 -1.26 -0.75 119.74 114.88 2gqe s LYS 22 Ca -0.06 -1.93 -0.20 0.00 -1.00 0.00 0.00 55.97 52.78 2gqe s LYS 22 Cb 0.07 0.37 -0.07 0.00 -2.06 0.00 0.00 37.83 36.13 2gqe s LYS 22 CO 0.59 -0.70 1.08 0.00 0.10 0.00 0.00 175.35 176.42 2gqe n VAL 24 N -1.10 1.93 0.00 0.00 3.14 -1.26 -2.73 118.33 118.31 2gqe n VAL 24 Ca 0.10 -1.29 0.00 0.00 -2.96 0.00 0.00 64.34 60.19 2gqe n VAL 24 Cb 0.52 0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 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 0.82 1.97 0.02 1.55 0.00 -1.26 -4.87 120.51 118.74 2gqe n ALA 25 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.69 2gqe n ALA 25 Cb 0.89 0.30 -0.01 0.00 0.00 0.00 0.00 19.45 20.63 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 -1.34 -2.04 -3.36 0.00 1.02 -1.11 -4.98 120.64 108.83 2gqe n GLU 27 Ca -0.00 0.24 -0.36 0.00 -0.02 0.00 0.00 57.16 57.02 2gqe n GLU 27 Cb 0.02 -3.45 -0.06 0.00 -0.02 0.00 0.00 31.44 27.94 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 -3.10 4.86 -0.18 2.62 2.01 -1.26 -4.64 115.64 115.95 2gqe s THR 28 Ca 0.07 0.86 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 2gqe s THR 28 Cb -0.03 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2gqe s THR 28 CO 0.21 0.30 1.58 -2.16 -0.69 0.00 0.00 174.62 173.86 2gqe s PRO 29 N -1.80 3.92 0.44 4.92 0.04 -1.26 0.01 135.00 141.28 2gqe s PRO 29 Ca 0.36 1.77 -0.25 0.00 0.04 0.00 0.00 61.00 62.92 2gqe s PRO 29 Cb -0.16 -3.99 -0.09 0.00 0.04 0.00 0.00 34.50 30.30 2gqe s PRO 29 CO 0.19 -1.13 1.34 1.17 0.04 0.00 0.00 177.00 178.60 2gqe n LYS 30 N 7.43 2.04 0.00 4.56 4.81 0.07 -4.95 118.16 132.13 2gqe n LYS 30 Ca 0.18 0.73 0.08 0.00 -0.87 0.00 0.00 58.31 58.43 2gqe n LYS 30 Cb 0.45 -2.49 0.46 0.00 0.02 0.00 0.00 35.03 33.47 2gqe n LYS 30 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22