#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 0.94 0.00 2.62 3.04 -1.89 -0.31 116.25 120.66 1liq h VAL 2 Ca 0.00 -0.03 -0.06 0.00 -1.01 0.00 0.00 66.70 65.60 1liq h VAL 2 Cb 0.00 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.12 1liq h VAL 2 CO 0.00 0.01 -0.29 -0.09 -1.01 0.00 0.00 177.57 176.20 1liq h ARG 3 N 0.08 0.00 -0.14 4.17 2.43 -1.94 -2.33 114.38 116.66 1liq h ARG 3 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1liq h ARG 3 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1liq h ARG 3 CO -0.01 0.29 0.00 0.00 -1.51 0.00 0.00 179.97 178.74 1liq n ALA 4 N -2.42 2.47 -1.57 2.80 0.00 -0.18 -4.96 120.51 116.64 1liq n ALA 4 Ca -0.02 -0.73 -0.31 0.00 0.00 0.00 0.00 53.44 52.39 1liq n ALA 4 Cb 0.36 -0.90 0.06 0.00 0.00 0.00 0.00 19.45 18.97 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 -3.20 2.41 -4.76 0.00 2.88 -1.26 -5.03 113.62 104.67 1liq n SER 6 Ca 0.07 -2.92 -0.33 0.00 -1.33 0.00 0.00 58.87 54.37 1liq n SER 6 Cb 0.54 -0.37 -0.07 0.00 -0.75 0.00 0.00 64.21 63.55 1liq n SER 6 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1liq s LEU 7 N -2.59 3.80 0.06 2.46 1.43 -1.26 -5.01 118.68 117.58 1liq s LEU 7 Ca 0.28 0.11 0.28 0.00 -1.03 0.00 0.00 54.13 53.76 1liq s LEU 7 Cb 0.24 -2.21 1.11 0.00 0.03 0.00 0.00 46.19 45.36 1liq s LEU 7 CO 0.03 0.27 1.87 -0.81 0.23 0.00 0.00 176.35 177.95 1liq n PRO 8 N 1.24 0.07 -0.05 1.29 -0.04 -1.26 -3.22 135.00 133.03 1liq n PRO 8 Ca -0.13 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.28 1liq n PRO 8 Cb 0.53 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.02 0.00 0.54 2.76 -2.03 -3.30 115.15 113.10 1liq h HIS 9 Ca 0.00 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1liq h HIS 9 Cb 0.55 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1liq h HIS 9 CO 0.00 0.72 -0.17 0.00 -1.30 0.00 0.00 177.93 177.18 1liq s ARG 11 N -4.21 3.48 0.00 0.00 3.00 -1.20 -4.44 118.95 115.59 1liq s ARG 11 Ca -0.03 -1.37 0.00 0.00 -1.00 0.00 0.00 55.73 53.34 1liq s ARG 11 Cb 0.13 -5.38 0.00 0.00 0.00 0.00 0.00 34.95 29.70 1liq s ARG 11 CO 0.62 -2.60 0.00 2.41 0.00 0.00 0.00 175.30 175.73 1liq n THR 12 N 6.94 0.00 0.05 4.11 -1.04 -1.26 -4.95 114.28 118.13 1liq n THR 12 Ca 0.42 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.46 1liq n THR 12 Cb 0.48 -0.13 0.07 0.00 -1.82 0.00 0.00 70.33 68.93 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 -0.89 1.75 -1.20 -2.82 2.81 -1.26 -4.97 117.12 110.54 1liq n MET 13 Ca 0.00 -1.48 0.00 0.00 -1.81 0.00 0.00 57.70 54.41 1liq n MET 13 Cb 0.00 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.25 0.00 -1.46 0.03 2.85 -1.26 -4.93 118.16 113.63 1liq n LYS 14 Ca 0.06 0.38 -0.30 0.00 -1.05 0.00 0.00 58.31 57.40 1liq n LYS 14 Cb 0.29 -3.80 -0.09 0.00 -0.65 0.00 0.00 35.03 30.78 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 1.96 2.07 -0.33 -5.58 4.13 -1.26 -4.72 115.26 111.53 1liq n ASN 15 Ca 0.00 -2.60 0.15 0.00 1.68 0.00 0.00 54.58 53.81 1liq n ASN 15 Cb 0.11 -1.39 0.34 0.00 -1.54 0.00 0.00 39.78 37.29 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 5.79 0.57 -0.52 2.41 2.07 -1.93 0.34 116.25 124.97 1liq h VAL 16 Ca 0.20 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1liq h VAL 16 Cb 0.86 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1liq h VAL 16 CO 1.45 0.10 0.32 -0.07 0.02 0.00 0.00 177.57 179.40 1liq h LEU 17 N 0.57 0.60 -0.48 2.57 3.38 -1.99 0.13 115.31 120.09 1liq h LEU 17 Ca 0.59 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.40 1liq h LEU 17 Cb 1.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1liq h LEU 17 CO -0.46 0.45 -0.69 0.78 0.09 0.00 0.00 178.44 178.61 1liq h ASN 18 N 0.70 0.00 0.06 -0.43 2.35 -0.77 -2.93 115.58 114.57 1liq h ASN 18 Ca 0.19 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1liq h ASN 18 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1liq h ASN 18 CO -0.04 0.69 -0.03 -0.74 -1.65 0.00 0.00 177.43 175.66 1liq h HIS 19 N 0.00 -0.07 -0.05 1.19 2.76 -0.07 -3.30 115.15 115.61 1liq h HIS 19 Ca -0.01 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1liq h HIS 19 Cb 1.30 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.28 1liq h HIS 19 CO 0.00 0.23 0.16 0.52 -1.30 0.00 0.00 177.93 177.54 1liq h MET 20 N -1.00 0.00 0.00 5.26 2.86 -0.92 0.68 114.93 121.81 1liq h MET 20 Ca -0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1liq h MET 20 Cb 0.34 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1liq h MET 20 CO 0.01 0.00 -0.08 0.00 1.06 0.00 0.00 176.91 177.91 1liq h THR 21 N 0.00 0.76 0.00 2.22 1.03 -1.59 -3.26 112.91 112.07 1liq h THR 21 Ca 0.02 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1liq h THR 21 Cb 0.35 1.17 0.00 0.00 -1.07 0.00 0.00 68.15 68.61 1liq h THR 21 CO -0.00 0.07 -0.69 0.00 -0.01 0.00 0.00 175.52 174.89 1liq n HIS 22 N -4.02 0.00 -3.68 0.00 1.44 -0.07 -5.08 115.22 103.81 1liq n HIS 22 Ca -0.03 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.48 1liq n HIS 22 Cb 0.16 0.00 -0.02 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 -4.07 3.86 -0.06 0.00 -0.21 -1.26 -4.44 119.66 113.48 1liq s GLN 24 Ca 0.41 -0.39 0.02 0.00 0.02 0.00 0.00 55.36 55.42 1liq s GLN 24 Cb -0.08 -3.25 0.07 0.00 1.00 0.00 0.00 33.01 30.74 1liq s GLN 24 CO 0.29 0.11 0.60 0.00 -2.12 0.00 0.00 175.29 174.18 1liq n ALA 25 N 4.02 -0.53 -1.00 6.09 0.00 -1.26 -4.77 120.51 123.06 1liq n ALA 25 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1liq n ALA 25 Cb 0.52 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.27 -2.01 0.00 0.00 0.00 -1.26 -4.13 105.19 97.52 1liq n GLY 26 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1liq n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49