#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 0.86 0.00 2.62 3.04 -1.89 0.10 116.25 120.98 1liq h VAL 2 Ca 0.00 -0.07 -0.06 0.00 -1.01 0.00 0.00 66.70 65.56 1liq h VAL 2 Cb 0.00 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 1liq h VAL 2 CO 0.00 0.04 -0.27 -0.09 -1.01 0.00 0.00 177.57 176.23 1liq h ARG 3 N 0.21 0.00 -0.03 4.17 9.65 -1.94 -2.41 114.38 124.04 1liq h ARG 3 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 1liq h ARG 3 Cb 0.61 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1liq h ARG 3 CO -0.04 0.27 -0.02 0.00 2.80 0.00 0.00 179.97 182.99 1liq n ALA 4 N -2.37 2.52 -1.58 2.80 0.00 0.27 -4.97 120.51 117.17 1liq n ALA 4 Ca -0.02 -0.65 -0.31 0.00 0.00 0.00 0.00 53.44 52.46 1liq n ALA 4 Cb 0.36 -0.86 0.05 0.00 0.00 0.00 0.00 19.45 19.00 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 2.55 -4.55 0.00 3.41 -1.26 -5.00 113.62 105.60 1liq n SER 6 Ca 0.07 -3.05 -0.35 0.00 -0.26 0.00 0.00 58.87 55.28 1liq n SER 6 Cb 0.54 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.82 3.61 0.38 1.04 1.43 -1.26 -4.98 118.68 116.09 1liq s LEU 7 Ca 0.32 -0.05 0.26 0.00 -1.03 0.00 0.00 54.13 53.64 1liq s LEU 7 Cb 0.28 -1.92 1.37 0.00 0.03 0.00 0.00 46.19 45.95 1liq s LEU 7 CO 0.04 0.10 1.81 -0.65 0.23 0.00 0.00 176.35 177.88 1liq h PRO 8 N 7.21 0.00 0.18 1.29 0.11 -1.94 -2.72 132.00 136.13 1liq h PRO 8 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1liq h PRO 8 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1liq h PRO 8 CO 0.65 0.00 -0.09 1.25 -0.21 0.00 0.00 178.00 179.60 1liq h HIS 9 N 0.00 -0.23 0.00 0.65 2.76 -2.02 -3.24 115.15 113.07 1liq h HIS 9 Ca 0.00 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1liq h HIS 9 Cb 0.08 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 1liq h HIS 9 CO 0.00 0.14 -0.04 0.00 -1.30 0.00 0.00 177.93 176.73 1liq s ARG 11 N -4.66 3.44 0.00 0.00 3.00 -1.05 -4.45 118.95 115.23 1liq s ARG 11 Ca -0.05 -1.34 0.00 0.00 -1.00 0.00 0.00 55.73 53.34 1liq s ARG 11 Cb 0.15 -5.37 0.00 0.00 0.00 0.00 0.00 34.95 29.73 1liq s ARG 11 CO 0.59 -2.65 0.00 2.41 0.00 0.00 0.00 175.30 175.66 1liq n THR 12 N 6.98 0.00 0.04 4.11 -1.04 -1.26 -4.94 114.28 118.17 1liq n THR 12 Ca 0.42 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.45 1liq n THR 12 Cb 0.48 -0.15 0.05 0.00 -1.82 0.00 0.00 70.33 68.88 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 -0.95 1.58 -1.23 -2.82 2.81 -1.26 -4.97 117.12 110.28 1liq n MET 13 Ca 0.00 -1.34 0.00 0.00 -1.81 0.00 0.00 57.70 54.55 1liq n MET 13 Cb 0.00 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 0.07 0.00 -1.52 0.03 2.85 -1.26 -4.93 118.16 113.40 1liq n LYS 14 Ca 0.04 0.38 -0.31 0.00 -1.05 0.00 0.00 58.31 57.37 1liq n LYS 14 Cb 0.24 -3.86 -0.08 0.00 -0.65 0.00 0.00 35.03 30.68 1liq n LYS 14 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1liq n ASN 15 N 1.99 2.27 -0.33 -5.58 4.13 -1.26 -4.72 115.26 111.76 1liq n ASN 15 Ca 0.00 -2.62 0.22 0.00 1.68 0.00 0.00 54.58 53.86 1liq n ASN 15 Cb 0.12 -1.41 0.49 0.00 -1.54 0.00 0.00 39.78 37.43 1liq n ASN 15 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1liq h VAL 16 N 5.71 0.51 -0.53 2.41 2.07 -1.93 0.37 116.25 124.85 1liq h VAL 16 Ca 0.23 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1liq h VAL 16 Cb 0.85 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1liq h VAL 16 CO 1.47 0.08 0.33 -0.07 0.02 0.00 0.00 177.57 179.39 1liq h LEU 17 N 0.42 0.63 -0.36 2.57 3.38 -1.99 0.30 115.31 120.25 1liq h LEU 17 Ca 0.61 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.37 1liq h LEU 17 Cb 1.49 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1liq h LEU 17 CO -0.33 0.48 -0.82 -1.13 0.09 0.00 0.00 178.44 176.72 1liq h ASN 18 N 0.73 0.14 0.11 -0.43 -1.24 -0.68 -2.90 115.58 111.32 1liq h ASN 18 Ca 0.19 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1liq h ASN 18 Cb -0.04 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1liq h ASN 18 CO -0.04 0.90 -0.05 -0.74 -1.29 0.00 0.00 177.43 176.21 1liq h HIS 19 N 0.06 -0.14 -0.13 0.67 2.76 -0.57 -3.30 115.15 114.50 1liq h HIS 19 Ca -0.03 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1liq h HIS 19 Cb 1.43 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.44 1liq h HIS 19 CO 0.02 -0.07 0.28 0.52 -1.30 0.00 0.00 177.93 177.37 1liq h MET 20 N -1.04 0.00 0.00 5.26 2.86 -0.59 0.85 114.93 122.27 1liq h MET 20 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1liq h MET 20 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1liq h MET 20 CO 0.03 0.00 0.00 1.15 1.06 0.00 0.00 176.91 179.15 1liq h THR 21 N 0.00 0.00 0.00 2.22 2.02 -1.59 -3.30 112.91 112.26 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 0.62 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 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 -3.03 0.00 -3.21 3.16 1.44 0.67 -4.91 115.22 109.35 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 -0.05 0.00 0.12 0.00 0.00 29.99 30.34 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 -2.83 4.28 -0.27 0.00 -2.07 -1.26 -4.60 119.66 112.91 1liq s GLN 24 Ca 0.40 2.12 -0.27 0.00 -1.82 0.00 0.00 55.36 55.79 1liq s GLN 24 Cb 0.15 -3.35 0.17 0.00 -1.09 0.00 0.00 33.01 28.90 1liq s GLN 24 CO -0.01 -0.53 1.31 0.00 -1.32 0.00 0.00 175.29 174.74 1liq s ALA 25 N 1.58 -2.12 0.26 2.60 0.00 -1.26 -5.14 121.76 117.68 1liq s ALA 25 Ca 0.66 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.39 1liq s ALA 25 Cb -0.37 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1liq s ALA 25 CO 0.30 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1liq n GLY 26 N 1.21 -4.94 3.97 0.00 0.00 -1.26 -4.88 105.19 99.29 1liq n GLY 26 Ca -0.07 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1liq n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49