#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1liq h VAL 2 N 0.00 1.01 0.00 2.62 3.04 -1.89 -0.72 116.25 120.31 1liq h VAL 2 Ca 0.00 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 1liq h VAL 2 Cb 0.00 0.62 -0.00 0.00 -2.01 0.00 0.00 31.29 29.90 1liq h VAL 2 CO 0.00 0.07 -0.05 -0.09 -1.01 0.00 0.00 177.57 176.49 1liq h ARG 3 N 0.36 0.00 -0.18 4.17 9.65 -1.94 -0.77 114.38 125.67 1liq h ARG 3 Ca 0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1liq h ARG 3 Cb 0.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1liq h ARG 3 CO -0.03 0.05 0.00 0.00 2.80 0.00 0.00 179.97 182.78 1liq n ALA 4 N -2.48 2.46 -1.57 2.80 0.00 -0.31 -4.96 120.51 116.44 1liq n ALA 4 Ca -0.03 -0.77 -0.31 0.00 0.00 0.00 0.00 53.44 52.33 1liq n ALA 4 Cb 0.13 -0.89 0.05 0.00 0.00 0.00 0.00 19.45 18.74 1liq n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1liq n SER 6 N -3.16 2.64 -4.76 0.00 3.41 -1.26 -5.02 113.62 105.47 1liq n SER 6 Ca 0.07 -2.97 -0.33 0.00 -0.26 0.00 0.00 58.87 55.38 1liq n SER 6 Cb 0.54 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 1liq n SER 6 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1liq s LEU 7 N -2.69 3.80 0.06 1.04 1.43 -1.26 -5.00 118.68 116.05 1liq s LEU 7 Ca 0.31 0.12 0.27 0.00 -1.03 0.00 0.00 54.13 53.80 1liq s LEU 7 Cb 0.27 -2.18 1.08 0.00 0.03 0.00 0.00 46.19 45.38 1liq s LEU 7 CO 0.04 0.28 1.85 -0.81 0.23 0.00 0.00 176.35 177.94 1liq n PRO 8 N 1.30 0.07 -0.04 1.29 -0.04 -1.26 -3.32 135.00 133.00 1liq n PRO 8 Ca -0.14 0.09 -0.07 0.00 -0.04 0.00 0.00 63.50 63.34 1liq n PRO 8 Cb 0.53 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 1liq n PRO 8 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1liq h HIS 9 N 0.00 -0.04 0.00 0.54 2.76 -2.02 -3.31 115.15 113.08 1liq h HIS 9 Ca 0.00 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1liq h HIS 9 Cb 0.53 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.51 1liq h HIS 9 CO 0.00 0.40 -0.01 0.00 -1.30 0.00 0.00 177.93 177.02 1liq s ARG 11 N -4.74 2.69 0.00 0.00 3.52 -1.21 -4.54 118.95 114.68 1liq s ARG 11 Ca -0.05 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 1liq s ARG 11 Cb 0.16 -5.20 0.00 0.00 -1.56 0.00 0.00 34.95 28.35 1liq s ARG 11 CO 0.59 -3.50 0.00 2.41 -0.81 0.00 0.00 175.30 173.99 1liq n THR 12 N 7.68 0.00 -1.41 4.11 -1.04 -1.26 -4.98 114.28 117.38 1liq n THR 12 Ca 0.42 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.46 1liq n THR 12 Cb 0.47 -0.38 0.04 0.00 -1.82 0.00 0.00 70.33 68.64 1liq n THR 12 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1liq n MET 13 N -0.96 0.65 -0.94 -2.82 2.81 -1.26 -4.97 117.12 109.63 1liq n MET 13 Ca 0.00 -1.45 0.00 0.00 -1.81 0.00 0.00 57.70 54.44 1liq n MET 13 Cb 0.00 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 1liq n MET 13 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1liq n LYS 14 N -0.48 0.00 -1.46 0.03 2.85 -1.26 -4.94 118.16 112.90 1liq n LYS 14 Ca 0.05 0.43 -0.34 0.00 -1.05 0.00 0.00 58.31 57.40 1liq n LYS 14 Cb 0.62 -3.70 -0.08 0.00 -0.65 0.00 0.00 35.03 31.22 1liq n LYS 14 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1liq n ASN 15 N 1.73 2.34 -0.22 -5.58 0.23 -1.26 -4.70 115.26 107.79 1liq n ASN 15 Ca 0.00 -2.63 0.25 0.00 -0.53 0.00 0.00 54.58 51.67 1liq n ASN 15 Cb 0.00 -1.35 0.64 0.00 -2.08 0.00 0.00 39.78 36.99 1liq n ASN 15 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1liq h VAL 16 N 5.51 0.58 -0.62 3.53 2.07 -1.94 0.25 116.25 125.63 1liq h VAL 16 Ca 0.26 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.77 1liq h VAL 16 Cb 0.82 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1liq h VAL 16 CO 1.56 0.03 0.41 -0.07 0.02 0.00 0.00 177.57 179.52 1liq h LEU 17 N 0.17 0.59 -0.10 2.57 3.38 -1.96 0.82 115.31 120.78 1liq h LEU 17 Ca 0.47 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.19 1liq h LEU 17 Cb 1.56 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 42.19 1liq h LEU 17 CO -0.09 0.39 -0.98 -1.13 0.09 0.00 0.00 178.44 176.72 1liq h ASN 18 N 0.68 0.71 1.65 -0.43 -0.73 -0.90 -3.17 115.58 113.39 1liq h ASN 18 Ca 0.26 -0.57 -0.02 0.00 1.87 0.00 0.00 56.30 57.85 1liq h ASN 18 Cb 0.17 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 38.54 1liq h ASN 18 CO -0.07 1.37 -0.08 -0.74 -0.37 0.00 0.00 177.43 177.53 1liq h HIS 19 N 0.31 0.00 -0.31 0.67 2.76 -0.94 -3.08 115.15 114.57 1liq h HIS 19 Ca -0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1liq h HIS 19 Cb 1.62 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.58 1liq h HIS 19 CO 0.08 0.08 0.00 -1.33 -1.30 0.00 0.00 177.93 175.46 1liq n MET 20 N -3.13 2.75 0.00 5.26 2.81 0.27 -1.92 117.12 123.15 1liq n MET 20 Ca 0.03 -1.54 0.01 0.00 -1.81 0.00 0.00 57.70 54.39 1liq n MET 20 Cb 0.50 -1.77 -0.00 0.00 -0.71 0.00 0.00 33.22 31.24 1liq n MET 20 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1liq n THR 21 N 0.37 0.00 0.00 2.03 -1.04 -1.16 -4.79 114.28 109.69 1liq n THR 21 Ca 0.14 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1liq n THR 21 Cb 0.64 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 70.17 1liq n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1liq n HIS 22 N -0.58 0.00 -4.13 -1.42 1.44 -1.23 -5.10 115.22 104.20 1liq n HIS 22 Ca 0.01 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 1liq n HIS 22 Cb 0.04 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.08 1liq n HIS 22 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1liq s GLN 24 N -1.32 2.25 0.00 0.00 -2.07 -1.26 -4.64 119.66 112.61 1liq s GLN 24 Ca 0.18 -1.24 0.00 0.00 -1.82 0.00 0.00 55.36 52.48 1liq s GLN 24 Cb -0.12 -2.54 0.00 0.00 -1.09 0.00 0.00 33.01 29.26 1liq s GLN 24 CO 0.08 -0.91 0.00 0.00 -1.32 0.00 0.00 175.29 173.15 1liq n ALA 25 N -2.37 -0.96 -0.45 2.60 0.00 -1.26 -4.85 120.51 113.21 1liq n ALA 25 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1liq n ALA 25 Cb 0.60 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1liq n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1liq n GLY 26 N -0.47 0.69 3.98 0.00 0.00 -1.26 -4.00 105.19 104.12 1liq n GLY 26 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1liq n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60