#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 -0.52 -0.10 1.61 -0.00 -1.26 -5.15 115.29 109.87 2gqe s HIS 1 Ca 0.00 0.56 -0.20 0.00 -0.00 0.00 0.00 55.06 55.42 2gqe s HIS 1 Cb 0.00 0.19 -0.04 0.00 -0.00 0.00 0.00 32.58 32.73 2gqe s HIS 1 CO 0.00 -0.29 0.56 0.00 -0.00 0.00 0.00 174.74 175.02 2gqe s MET 2 N 2.95 4.38 0.00 -0.38 0.00 -1.26 -4.94 119.30 120.05 2gqe s MET 2 Ca -0.01 0.61 0.12 0.00 0.00 0.00 0.00 55.69 56.41 2gqe s MET 2 Cb -0.10 -3.44 -0.11 0.00 0.00 0.00 0.00 34.83 31.18 2gqe s MET 2 CO -0.11 0.12 0.55 0.28 0.00 0.00 0.00 175.02 175.86 2gqe n VAL 3 N 3.71 0.00 -2.77 5.16 0.31 -1.26 -4.83 118.33 118.65 2gqe n VAL 3 Ca -0.05 -0.24 -0.43 0.00 -0.01 0.00 0.00 64.34 63.61 2gqe n VAL 3 Cb 0.51 1.02 -0.02 0.00 -0.91 0.00 0.00 33.84 34.45 2gqe n VAL 3 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2gqe s ILE 4 N -2.05 4.48 -0.10 2.52 1.10 -1.26 -4.44 121.20 121.45 2gqe s ILE 4 Ca 0.06 -1.71 0.04 0.00 -0.51 0.00 0.00 60.65 58.53 2gqe s ILE 4 Cb 0.09 -4.97 0.12 0.00 0.15 0.00 0.00 42.46 37.86 2gqe s ILE 4 CO 0.47 -1.75 0.80 0.61 -2.11 0.00 0.00 174.94 172.96 2gqe n GLY 5 N 5.47 0.15 3.70 1.50 0.00 -1.26 -5.09 105.19 109.67 2gqe n GLY 5 Ca 0.34 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.47 1.63 -4.24 2.61 -2.24 -1.26 -4.03 114.28 106.28 2gqe n THR 6 Ca -0.08 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 60.94 2gqe n THR 6 Cb 0.60 -1.63 -0.09 0.00 -2.10 0.00 0.00 70.33 67.11 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 -0.72 3.24 -0.10 4.78 1.48 0.89 -4.84 118.94 123.68 2gqe s TRP 7 Ca 0.59 0.19 -0.17 0.00 -1.06 0.00 0.00 56.10 55.65 2gqe s TRP 7 Cb -0.57 -1.87 -0.05 0.00 -1.16 0.00 0.00 33.47 29.82 2gqe s TRP 7 CO 0.58 0.42 0.43 -0.51 -4.06 0.00 0.00 176.95 173.81 2gqe s ASP 8 N -0.60 6.67 1.32 -2.66 1.11 -1.26 -0.79 116.67 120.47 2gqe s ASP 8 Ca 0.10 0.80 -0.19 0.00 0.18 0.00 0.00 52.55 53.44 2gqe s ASP 8 Cb -0.12 -2.26 0.33 0.00 1.07 0.00 0.00 42.92 41.94 2gqe s ASP 8 CO 0.02 0.09 0.97 0.00 1.18 0.00 0.00 175.17 177.44 2gqe n ASP 10 N -5.34 0.17 0.00 0.00 9.92 -1.26 -4.52 116.55 115.53 2gqe n ASP 10 Ca 0.09 -1.08 0.00 0.00 -0.53 0.00 0.00 54.79 53.27 2gqe n ASP 10 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 2gqe n ASP 10 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2gqe n THR 11 N -0.04 0.00 0.27 -3.53 -1.04 -1.26 -4.82 114.28 103.86 2gqe n THR 11 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 2gqe n THR 11 Cb 0.44 -0.42 -0.01 0.00 -1.82 0.00 0.00 70.33 68.52 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 -0.65 -6.97 -3.71 0.00 4.32 -1.26 -5.04 117.00 103.68 2gqe n LEU 13 Ca 0.02 0.09 -0.12 0.00 -0.02 0.00 0.00 56.01 55.98 2gqe n LEU 13 Cb 0.11 -3.28 -0.11 0.00 -1.62 0.00 0.00 43.42 38.53 2gqe n LEU 13 CO 0.09 -1.45 0.05 -0.69 -1.22 0.00 0.00 177.39 174.18 2gqe s VAL 14 N -2.86 -0.02 0.28 4.08 1.01 -1.26 -4.91 120.40 116.72 2gqe s VAL 14 Ca 0.08 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 2gqe s VAL 14 Cb -0.02 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.70 2gqe s VAL 14 CO 0.76 0.02 0.74 -1.10 0.00 0.00 0.00 175.10 175.52 2gqe s GLN 15 N 0.93 4.12 0.05 2.72 -0.21 -1.26 -0.42 119.66 125.60 2gqe s GLN 15 Ca -0.06 0.78 -0.05 0.00 0.02 0.00 0.00 55.36 56.04 2gqe s GLN 15 Cb -0.06 -2.62 -0.01 0.00 1.00 0.00 0.00 33.01 31.31 2gqe s GLN 15 CO -0.07 0.26 0.09 -0.80 -2.12 0.00 0.00 175.29 172.65 2gqe s ASN 16 N -1.99 0.23 0.46 5.90 0.01 0.03 -4.82 114.94 114.75 2gqe s ASN 16 Ca 0.49 -0.66 -0.22 0.00 -0.71 0.00 0.00 52.86 51.76 2gqe s ASN 16 Cb -0.13 0.25 -0.07 0.00 0.41 0.00 0.00 41.25 41.71 2gqe s ASN 16 CO 0.19 -0.58 1.14 -1.59 -1.51 0.00 0.00 177.10 174.74 2gqe s LYS 17 N -3.20 3.76 0.01 -0.60 -2.85 -1.26 -0.07 119.74 115.52 2gqe s LYS 17 Ca 0.00 1.70 0.14 0.00 -1.00 0.00 0.00 55.97 56.81 2gqe s LYS 17 Cb 0.02 -2.36 0.61 0.00 -2.06 0.00 0.00 37.83 34.05 2gqe s LYS 17 CO -0.07 -0.53 1.46 -0.35 0.10 0.00 0.00 175.35 175.95 2gqe n PRO 18 N -0.56 0.01 0.00 1.78 -0.04 -1.26 -2.02 135.00 132.91 2gqe n PRO 18 Ca 0.08 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 2gqe n PRO 18 Cb 0.49 -1.51 0.44 0.00 -0.04 0.00 0.00 33.50 32.88 2gqe n PRO 18 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2gqe n GLU 19 N -1.52 0.43 -2.54 0.54 2.13 -1.26 -4.89 120.64 113.54 2gqe n GLU 19 Ca 0.03 -0.20 -0.25 0.00 0.66 0.00 0.00 57.16 57.40 2gqe n GLU 19 Cb 0.17 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 30.41 2gqe n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gqe s ALA 20 N -2.71 3.46 -0.08 4.31 0.00 -0.86 -5.03 121.76 120.86 2gqe s ALA 20 Ca 0.20 -0.90 0.15 0.00 0.00 0.00 0.00 51.96 51.41 2gqe s ALA 20 Cb 0.19 -2.42 -0.22 0.00 0.00 0.00 0.00 23.12 20.67 2gqe s ALA 20 CO 0.56 -0.77 0.21 1.51 0.00 0.00 0.00 175.76 177.27 2gqe n ILE 21 N -2.48 0.51 -4.18 0.00 0.00 -1.26 -4.97 119.36 106.96 2gqe n ILE 21 Ca 0.05 -0.50 -0.14 0.00 0.00 0.00 0.00 62.75 62.15 2gqe n ILE 21 Cb 0.58 -0.23 -0.08 0.00 0.00 0.00 0.00 39.64 39.91 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 -2.75 1.50 0.62 9.51 0.00 -1.26 -0.88 119.74 126.49 2gqe s LYS 22 Ca -0.07 -1.71 -0.17 0.00 0.00 0.00 0.00 55.97 54.02 2gqe s LYS 22 Cb 0.07 0.34 -0.02 0.00 0.00 0.00 0.00 37.83 38.22 2gqe s LYS 22 CO 0.64 -0.55 1.16 0.00 0.00 0.00 0.00 175.35 176.61 2gqe n VAL 24 N -1.94 2.07 0.00 0.00 3.14 -1.26 -2.99 118.33 117.36 2gqe n VAL 24 Ca 0.12 -1.31 0.00 0.00 -2.96 0.00 0.00 64.34 60.19 2gqe n VAL 24 Cb 0.51 0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 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 2.74 0.30 1.55 0.00 -1.26 -4.87 120.51 119.79 2gqe n ALA 25 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.75 2gqe n ALA 25 Cb 0.95 0.24 -0.08 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 -1.54 -3.43 -3.33 0.00 4.71 -1.16 -4.97 120.64 110.92 2gqe n GLU 27 Ca 0.00 0.41 -0.35 0.00 -0.01 0.00 0.00 57.16 57.21 2gqe n GLU 27 Cb 0.23 -4.14 -0.06 0.00 -1.01 0.00 0.00 31.44 26.46 2gqe n GLU 27 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2gqe s THR 28 N -3.17 4.83 -0.23 2.62 2.01 -1.26 -4.64 115.64 115.80 2gqe s THR 28 Ca 0.08 0.88 -0.29 0.00 0.31 0.00 0.00 61.69 62.67 2gqe s THR 28 Cb -0.04 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2gqe s THR 28 CO 0.36 0.24 1.61 -2.16 -0.69 0.00 0.00 174.62 173.98 2gqe s PRO 29 N -1.95 3.79 0.44 4.92 0.04 -1.26 -0.47 135.00 140.51 2gqe s PRO 29 Ca 0.38 1.64 -0.25 0.00 0.04 0.00 0.00 61.00 62.81 2gqe s PRO 29 Cb -0.15 -4.04 -0.09 0.00 0.04 0.00 0.00 34.50 30.26 2gqe s PRO 29 CO 0.19 -1.30 1.31 1.17 0.04 0.00 0.00 177.00 178.41 2gqe n LYS 30 N 7.67 1.98 0.00 4.56 4.81 -0.06 -4.97 118.16 132.15 2gqe n LYS 30 Ca 0.19 0.71 0.08 0.00 -0.87 0.00 0.00 58.31 58.41 2gqe n LYS 30 Cb 0.45 -2.45 0.47 0.00 0.02 0.00 0.00 35.03 33.51 2gqe n LYS 30 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22