#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 1.24 -0.12 2.62 3.04 -1.89 -1.92 116.25 119.21 1liq h VAL 2 Ca 0.00 -0.70 0.03 0.00 -1.01 0.00 0.00 66.70 65.02 1liq h VAL 2 Cb 0.00 0.35 -0.00 0.00 -2.01 0.00 0.00 31.29 29.62 1liq h VAL 2 CO 0.00 0.29 0.10 -0.09 -1.01 0.00 0.00 177.57 176.86 1liq h ARG 3 N 1.02 0.00 -0.19 4.17 1.12 -1.92 0.10 114.38 118.68 1liq h ARG 3 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.11 1liq h ARG 3 Cb 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 1liq h ARG 3 CO -0.03 0.00 0.00 0.00 -3.11 0.00 0.00 179.97 176.83 1liq n ALA 4 N -2.44 2.46 -1.57 2.80 0.00 -0.76 -4.96 120.51 116.04 1liq n ALA 4 Ca -0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 53.44 52.36 1liq n ALA 4 Cb 0.22 -0.91 0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 -3.18 3.12 -4.75 0.00 7.64 -1.26 -5.00 113.62 110.18 1liq n SER 6 Ca 0.07 -2.61 -0.34 0.00 1.01 0.00 0.00 58.87 57.00 1liq n SER 6 Cb 0.54 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.29 1liq n SER 6 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1liq s LEU 7 N -2.09 3.79 0.00 -3.43 1.43 -1.26 -5.00 118.68 112.12 1liq s LEU 7 Ca 0.30 0.14 0.25 0.00 -1.03 0.00 0.00 54.13 53.79 1liq s LEU 7 Cb 0.23 -2.10 1.39 0.00 0.03 0.00 0.00 46.19 45.73 1liq s LEU 7 CO 0.09 0.31 1.91 -0.81 0.23 0.00 0.00 176.35 178.08 1liq n PRO 8 N 1.51 1.13 -0.08 1.29 -0.04 -1.26 -3.43 135.00 134.12 1liq n PRO 8 Ca -0.15 -0.20 -0.23 0.00 -0.04 0.00 0.00 63.50 62.88 1liq n PRO 8 Cb 0.53 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 32.47 1liq n PRO 8 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1liq n HIS 9 N -0.67 0.84 0.03 0.54 -0.00 -1.26 -4.34 115.22 110.35 1liq n HIS 9 Ca 0.19 0.28 -0.06 0.00 0.46 0.00 0.00 57.72 58.59 1liq n HIS 9 Cb 0.14 -1.10 0.14 0.00 -0.12 0.00 0.00 29.99 29.05 1liq n HIS 9 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1liq s ARG 11 N -4.21 2.65 0.00 0.00 1.81 -1.22 -4.48 118.95 113.50 1liq s ARG 11 Ca -0.06 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.11 1liq s ARG 11 Cb 0.13 -5.19 0.00 0.00 -0.45 0.00 0.00 34.95 29.44 1liq s ARG 11 CO 0.81 -3.55 0.00 2.41 -0.68 0.00 0.00 175.30 174.29 1liq n THR 12 N 7.72 0.00 0.06 0.02 -1.04 -1.26 -4.95 114.28 114.82 1liq n THR 12 Ca 0.42 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.48 1liq n THR 12 Cb 0.47 -0.16 0.10 0.00 -1.82 0.00 0.00 70.33 68.91 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 -0.81 1.91 -1.06 -2.82 2.81 -1.26 -4.96 117.12 110.93 1liq n MET 13 Ca 0.00 -1.63 0.00 0.00 -1.81 0.00 0.00 57.70 54.26 1liq n MET 13 Cb 0.00 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 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 0.44 0.00 -1.47 0.03 2.85 -1.26 -4.94 118.16 113.81 1liq n LYS 14 Ca 0.08 0.41 -0.33 0.00 -1.05 0.00 0.00 58.31 57.43 1liq n LYS 14 Cb 0.34 -3.70 -0.08 0.00 -0.65 0.00 0.00 35.03 30.94 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 1.88 2.27 -0.34 -5.58 0.23 -1.26 -4.71 115.26 107.75 1liq n ASN 15 Ca 0.00 -2.62 0.16 0.00 -0.53 0.00 0.00 54.58 51.59 1liq n ASN 15 Cb 0.06 -1.37 0.38 0.00 -2.08 0.00 0.00 39.78 36.77 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 5.60 0.62 -0.58 3.53 2.07 -1.93 0.27 116.25 125.82 1liq h VAL 16 Ca 0.24 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1liq h VAL 16 Cb 0.84 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1liq h VAL 16 CO 1.52 0.12 0.39 -0.07 0.02 0.00 0.00 177.57 179.54 1liq h LEU 17 N 0.64 0.58 -0.42 2.57 4.07 -1.99 0.34 115.31 121.11 1liq h LEU 17 Ca 0.60 -0.01 -0.17 0.00 0.08 0.00 0.00 57.88 58.38 1liq h LEU 17 Cb 1.11 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.69 1liq h LEU 17 CO -0.39 0.40 -0.79 -1.13 -1.08 0.00 0.00 178.44 175.45 1liq h ASN 18 N 0.68 0.07 0.05 -0.43 -1.24 -0.89 -2.89 115.58 110.93 1liq h ASN 18 Ca 0.23 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 1liq h ASN 18 Cb 0.09 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1liq h ASN 18 CO -0.06 0.83 -0.02 -0.74 -1.29 0.00 0.00 177.43 176.14 1liq h HIS 19 N 0.03 -0.06 -0.13 0.67 -0.00 -0.42 -3.31 115.15 111.93 1liq h HIS 19 Ca -0.02 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1liq h HIS 19 Cb 1.39 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.82 1liq h HIS 19 CO 0.01 0.03 0.28 0.52 -0.00 0.00 0.00 177.93 178.77 1liq h MET 20 N -1.01 0.00 0.00 5.26 2.86 -0.52 0.81 114.93 122.32 1liq h MET 20 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1liq h MET 20 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1liq h MET 20 CO 0.01 0.00 0.00 1.15 1.06 0.00 0.00 176.91 179.13 1liq h THR 21 N 0.00 0.00 0.00 2.22 2.02 -1.60 -3.29 112.91 112.27 1liq h THR 21 Ca 0.06 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1liq h THR 21 Cb 0.63 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1liq h THR 21 CO -0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1liq n HIS 22 N -3.01 0.00 -4.87 3.16 1.44 0.74 -5.07 115.22 107.61 1liq n HIS 22 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 1liq n HIS 22 Cb 0.28 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.26 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 -1.04 2.41 0.00 0.00 -2.07 -1.26 -4.39 119.66 113.31 1liq s GLN 24 Ca 0.13 -1.58 0.00 0.00 -1.82 0.00 0.00 55.36 52.09 1liq s GLN 24 Cb -0.10 -2.65 0.00 0.00 -1.09 0.00 0.00 33.01 29.17 1liq s GLN 24 CO 0.02 -0.73 0.00 0.00 -1.32 0.00 0.00 175.29 173.26 1liq n ALA 25 N -2.15 0.00 -1.08 2.60 0.00 -1.26 -4.92 120.51 113.71 1liq n ALA 25 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1liq n ALA 25 Cb 0.61 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.65 1.80 0.00 0.00 0.00 -1.26 -4.60 105.19 100.47 1liq n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1liq n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49