#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 1.14 -0.06 2.62 3.04 -1.90 -0.82 116.25 120.27 1liq h VAL 2 Ca 0.00 -0.35 0.02 0.00 -1.01 0.00 0.00 66.70 65.36 1liq h VAL 2 Cb 0.00 0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 29.29 1liq h VAL 2 CO 0.00 0.19 0.16 -0.09 -1.01 0.00 0.00 177.57 176.82 1liq h ARG 3 N 1.03 0.00 -0.02 4.17 9.65 -1.94 0.10 114.38 127.38 1liq h ARG 3 Ca 0.33 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.21 1liq h ARG 3 Cb 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1liq h ARG 3 CO -0.10 0.00 -0.16 0.00 2.80 0.00 0.00 179.97 182.51 1liq n ALA 4 N -2.13 2.81 -1.58 2.80 0.00 -0.35 -5.00 120.51 117.05 1liq n ALA 4 Ca -0.01 -0.59 -0.31 0.00 0.00 0.00 0.00 53.44 52.53 1liq n ALA 4 Cb 0.24 -0.57 0.06 0.00 0.00 0.00 0.00 19.45 19.18 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 -3.17 2.13 -4.54 0.00 3.41 -1.26 -5.01 113.62 105.18 1liq n SER 6 Ca 0.07 -2.97 -0.35 0.00 -0.26 0.00 0.00 58.87 55.36 1liq n SER 6 Cb 0.54 -0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.58 3.59 0.50 1.04 1.43 -1.26 -4.98 118.68 116.42 1liq s LEU 7 Ca 0.28 -0.06 0.33 0.00 -1.03 0.00 0.00 54.13 53.66 1liq s LEU 7 Cb 0.25 -1.93 1.79 0.00 0.03 0.00 0.00 46.19 46.33 1liq s LEU 7 CO 0.03 0.09 2.02 -0.65 0.23 0.00 0.00 176.35 178.07 1liq h PRO 8 N 7.32 0.00 0.14 1.29 0.11 -1.96 -2.66 132.00 136.23 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 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1liq h PRO 8 CO 0.64 0.00 -0.07 1.25 -0.21 0.00 0.00 178.00 179.61 1liq h HIS 9 N 0.00 -0.17 0.00 0.65 2.76 -2.02 -3.15 115.15 113.22 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 0.04 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1liq h HIS 9 CO 0.00 0.30 0.00 0.00 -1.30 0.00 0.00 177.93 176.93 1liq n ARG 11 N -2.50 1.82 0.00 0.00 0.00 -1.09 -4.00 116.66 110.89 1liq n ARG 11 Ca -0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 57.85 56.86 1liq n ARG 11 Cb 0.15 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.05 1liq n ARG 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1liq n THR 12 N 0.08 0.00 -0.03 5.15 -1.04 -0.94 -4.57 114.28 112.93 1liq n THR 12 Ca 0.14 0.93 0.00 0.00 -2.04 0.00 0.00 64.05 63.08 1liq n THR 12 Cb 0.72 -1.77 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 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 -1.07 0.89 -1.10 -2.82 2.81 -1.26 -4.98 117.12 109.59 1liq n MET 13 Ca 0.00 -0.96 0.00 0.00 -1.81 0.00 0.00 57.70 54.93 1liq n MET 13 Cb 0.00 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 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 -0.23 0.00 -1.57 0.03 2.85 -1.26 -4.94 118.16 113.05 1liq n LYS 14 Ca 0.00 0.39 -0.28 0.00 -1.05 0.00 0.00 58.31 57.37 1liq n LYS 14 Cb 0.13 -3.66 -0.09 0.00 -0.65 0.00 0.00 35.03 30.76 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 1.87 2.16 -0.31 -5.58 0.23 -1.26 -4.74 115.26 107.63 1liq n ASN 15 Ca 0.00 -2.60 0.17 0.00 -0.53 0.00 0.00 54.58 51.61 1liq n ASN 15 Cb 0.08 -1.49 0.35 0.00 -2.08 0.00 0.00 39.78 36.65 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 5.94 0.30 -0.61 3.53 2.07 -1.92 0.62 116.25 126.18 1liq h VAL 16 Ca 0.18 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.66 1liq h VAL 16 Cb 0.89 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1liq h VAL 16 CO 1.37 0.04 0.40 -0.07 0.02 0.00 0.00 177.57 179.33 1liq h LEU 17 N 0.24 0.60 -0.44 2.57 3.38 -1.99 0.93 115.31 120.60 1liq h LEU 17 Ca 0.62 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.43 1liq h LEU 17 Cb 1.31 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1liq h LEU 17 CO -0.65 0.41 -0.73 -1.13 0.09 0.00 0.00 178.44 176.44 1liq h ASN 18 N 0.70 0.00 0.16 -0.43 -0.00 -0.18 -2.99 115.58 112.84 1liq h ASN 18 Ca 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.54 1liq h ASN 18 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.42 1liq h ASN 18 CO -0.07 0.73 -0.08 -0.74 -0.00 0.00 0.00 177.43 177.27 1liq h HIS 19 N 0.00 -0.20 -0.10 0.67 2.76 0.01 -3.28 115.15 115.00 1liq h HIS 19 Ca -0.01 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.19 1liq h HIS 19 Cb 1.35 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 30.37 1liq h HIS 19 CO 0.00 0.00 0.23 1.98 -1.30 0.00 0.00 177.93 178.84 1liq h MET 20 N -1.03 0.00 0.00 5.26 1.85 -1.01 0.79 114.93 120.79 1liq h MET 20 Ca -0.02 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.05 1liq h MET 20 Cb 0.29 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.32 1liq h MET 20 CO 0.04 0.00 -0.11 0.00 -0.40 0.00 0.00 176.91 176.44 1liq h THR 21 N 0.00 0.66 0.00 -0.77 1.03 -1.58 -3.25 112.91 109.00 1liq h THR 21 Ca 0.05 -0.45 0.00 0.00 -0.01 0.00 0.00 66.41 66.00 1liq h THR 21 Cb 0.51 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 1liq h THR 21 CO -0.00 0.11 -0.34 0.00 -0.01 0.00 0.00 175.52 175.28 1liq n HIS 22 N -3.81 0.00 -3.56 0.00 1.44 0.26 -5.09 115.22 104.47 1liq n HIS 22 Ca -0.02 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.61 1liq n HIS 22 Cb 0.21 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.32 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 -2.71 0.26 -0.29 0.00 -2.07 -1.26 -4.61 119.66 108.98 1liq s GLN 24 Ca 0.10 0.50 -0.19 0.00 -1.82 0.00 0.00 55.36 53.95 1liq s GLN 24 Cb -0.01 0.12 0.18 0.00 -1.09 0.00 0.00 33.01 32.21 1liq s GLN 24 CO 0.07 -0.06 1.18 0.00 -1.32 0.00 0.00 175.29 175.16 1liq s ALA 25 N 1.52 -2.40 0.00 2.60 0.00 -1.26 -4.99 121.76 117.23 1liq s ALA 25 Ca -0.07 1.98 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1liq s ALA 25 Cb -0.04 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1liq s ALA 25 CO -0.14 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1liq n GLY 26 N 2.91 1.93 0.00 0.00 0.00 -1.26 -3.94 105.19 104.83 1liq n GLY 26 Ca -0.16 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1liq n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49