#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 1.08 -0.04 2.62 3.04 -1.89 -1.02 116.25 120.05 1liq h VAL 2 Ca 0.00 -0.21 0.01 0.00 -1.01 0.00 0.00 66.70 65.49 1liq h VAL 2 Cb 0.00 0.42 -0.00 0.00 -2.01 0.00 0.00 31.29 29.70 1liq h VAL 2 CO 0.00 0.11 0.03 -0.09 -1.01 0.00 0.00 177.57 176.61 1liq h ARG 3 N 0.61 0.00 -0.16 4.17 9.65 -1.93 0.00 114.38 126.72 1liq h ARG 3 Ca 0.20 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 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 -0.05 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.72 1liq n ALA 4 N -2.50 2.47 -1.58 2.80 0.00 -0.42 -4.96 120.51 116.32 1liq n ALA 4 Ca -0.02 -0.73 -0.31 0.00 0.00 0.00 0.00 53.44 52.38 1liq n ALA 4 Cb 0.13 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 2.79 -4.75 0.00 3.41 -1.26 -5.02 113.62 105.63 1liq n SER 6 Ca 0.07 -2.93 -0.33 0.00 -0.26 0.00 0.00 58.87 55.42 1liq n SER 6 Cb 0.54 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.63 3.80 0.00 1.04 1.43 -1.26 -5.00 118.68 116.05 1liq s LEU 7 Ca 0.32 0.12 0.28 0.00 -1.03 0.00 0.00 54.13 53.81 1liq s LEU 7 Cb 0.27 -2.17 1.21 0.00 0.03 0.00 0.00 46.19 45.53 1liq s LEU 7 CO 0.05 0.29 1.90 -0.81 0.23 0.00 0.00 176.35 178.00 1liq n PRO 8 N 1.32 0.04 -0.06 1.29 -0.04 -1.26 -3.30 135.00 132.98 1liq n PRO 8 Ca -0.14 0.02 -0.08 0.00 -0.04 0.00 0.00 63.50 63.26 1liq n PRO 8 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.00 0.00 0.54 2.76 -2.02 -3.33 115.15 113.10 1liq h HIS 9 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1liq h HIS 9 Cb 0.46 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.42 1liq h HIS 9 CO 0.00 0.56 -0.05 0.00 -1.30 0.00 0.00 177.93 177.14 1liq s ARG 11 N -4.79 2.50 0.00 0.00 3.00 -1.21 -4.54 118.95 113.91 1liq s ARG 11 Ca -0.05 -0.73 0.00 0.00 -1.00 0.00 0.00 55.73 53.95 1liq s ARG 11 Cb 0.16 -5.15 0.00 0.00 0.00 0.00 0.00 34.95 29.96 1liq s ARG 11 CO 0.64 -3.72 0.00 2.41 0.00 0.00 0.00 175.30 174.62 1liq n THR 12 N 7.86 0.00 -1.72 4.11 -1.04 -1.26 -4.98 114.28 117.25 1liq n THR 12 Ca 0.43 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.46 1liq n THR 12 Cb 0.47 -0.41 0.04 0.00 -1.82 0.00 0.00 70.33 68.61 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 -0.93 0.37 -0.88 -2.82 2.81 -1.26 -4.97 117.12 109.45 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 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 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 -0.41 0.00 -1.43 0.03 2.85 -1.26 -4.94 118.16 113.00 1liq n LYS 14 Ca 0.05 0.38 -0.34 0.00 -1.05 0.00 0.00 58.31 57.35 1liq n LYS 14 Cb 0.68 -3.41 -0.08 0.00 -0.65 0.00 0.00 35.03 31.57 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 1.51 2.26 -0.16 -5.58 4.13 -1.26 -4.70 115.26 111.46 1liq n ASN 15 Ca 0.00 -2.62 0.22 0.00 1.68 0.00 0.00 54.58 53.85 1liq n ASN 15 Cb 0.00 -1.33 0.62 0.00 -1.54 0.00 0.00 39.78 37.53 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 5.52 0.67 -0.63 2.41 2.07 -1.94 0.12 116.25 124.47 1liq h VAL 16 Ca 0.25 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.76 1liq h VAL 16 Cb 0.82 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1liq h VAL 16 CO 1.56 0.04 0.42 -0.07 0.02 0.00 0.00 177.57 179.53 1liq h LEU 17 N 0.19 0.59 -0.10 2.57 3.38 -1.95 0.85 115.31 120.83 1liq h LEU 17 Ca 0.39 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.12 1liq h LEU 17 Cb 1.25 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.88 1liq h LEU 17 CO -0.08 0.39 -0.99 -1.13 0.09 0.00 0.00 178.44 176.73 1liq h ASN 18 N 0.68 0.70 1.72 -0.43 -0.00 -1.15 -3.17 115.58 113.92 1liq h ASN 18 Ca 0.26 -0.56 -0.01 0.00 -0.00 0.00 0.00 56.30 55.99 1liq h ASN 18 Cb 0.18 -0.21 -0.00 0.00 -0.00 0.00 0.00 38.32 38.29 1liq h ASN 18 CO -0.08 1.36 -0.05 -0.74 -0.00 0.00 0.00 177.43 177.92 1liq h HIS 19 N 0.30 0.00 -0.32 0.67 2.76 -0.94 -3.09 115.15 114.54 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 1.63 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.59 1liq h HIS 19 CO 0.08 0.05 0.00 -1.33 -1.30 0.00 0.00 177.93 175.43 1liq n MET 20 N -3.12 2.84 0.00 5.26 2.81 0.28 -1.94 117.12 123.25 1liq n MET 20 Ca 0.03 -1.61 0.01 0.00 -1.81 0.00 0.00 57.70 54.32 1liq n MET 20 Cb 0.50 -1.79 -0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 0.39 0.00 0.00 2.03 -1.04 -1.17 -4.79 114.28 109.70 1liq n THR 21 Ca 0.14 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1liq n THR 21 Cb 0.67 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 70.20 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 -0.55 0.00 -3.74 -1.42 1.44 -1.24 -5.12 115.22 104.59 1liq n HIS 22 Ca 0.01 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.51 1liq n HIS 22 Cb 0.04 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.12 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 -4.04 2.27 0.00 0.00 -0.21 -1.26 -4.71 119.66 111.71 1liq s GLN 24 Ca 0.41 -1.96 0.00 0.00 0.02 0.00 0.00 55.36 53.84 1liq s GLN 24 Cb -0.07 -2.17 0.00 0.00 1.00 0.00 0.00 33.01 31.77 1liq s GLN 24 CO 0.28 -0.62 0.00 0.00 -2.12 0.00 0.00 175.29 172.83 1liq n ALA 25 N -1.80 0.00 0.00 6.09 0.00 -1.26 -4.66 120.51 118.88 1liq n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1liq n ALA 25 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.15 1.48 0.00 0.00 0.00 -1.26 -3.89 105.19 100.37 1liq n GLY 26 Ca 0.00 -0.38 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