#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 1.26 -0.11 2.62 3.04 -1.89 -2.42 116.25 118.77 1liq h VAL 2 Ca 0.00 -1.03 0.03 0.00 -1.01 0.00 0.00 66.70 64.69 1liq h VAL 2 Cb 0.00 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 29.87 1liq h VAL 2 CO 0.00 0.39 0.21 -0.09 -1.01 0.00 0.00 177.57 177.07 1liq h ARG 3 N 1.06 0.00 -0.03 4.17 9.65 -1.93 0.26 114.38 127.56 1liq h ARG 3 Ca 0.21 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1liq h ARG 3 Cb 0.43 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1liq h ARG 3 CO 0.01 0.00 -0.10 0.00 2.80 0.00 0.00 179.97 182.68 1liq n ALA 4 N -2.15 2.68 -1.58 2.80 0.00 -0.93 -4.98 120.51 116.35 1liq n ALA 4 Ca -0.00 -0.67 -0.31 0.00 0.00 0.00 0.00 53.44 52.46 1liq n ALA 4 Cb 0.31 -0.78 0.06 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.19 2.30 -4.76 0.00 2.88 -1.26 -5.03 113.62 104.55 1liq n SER 6 Ca 0.07 -2.79 -0.33 0.00 -1.33 0.00 0.00 58.87 54.50 1liq n SER 6 Cb 0.54 -0.32 -0.07 0.00 -0.75 0.00 0.00 64.21 63.61 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 -2.36 3.80 0.18 2.46 1.43 -1.26 -5.01 118.68 117.92 1liq s LEU 7 Ca 0.24 0.10 0.26 0.00 -1.03 0.00 0.00 54.13 53.69 1liq s LEU 7 Cb 0.21 -2.23 0.89 0.00 0.03 0.00 0.00 46.19 45.08 1liq s LEU 7 CO 0.02 0.26 1.79 -0.81 0.23 0.00 0.00 176.35 177.85 1liq n PRO 8 N 1.16 0.21 -0.02 1.29 -0.04 -1.26 -3.42 135.00 132.92 1liq n PRO 8 Ca -0.13 0.20 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1liq n PRO 8 Cb 0.53 -1.76 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.06 0.00 0.54 2.76 -2.02 -3.23 115.15 113.14 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 0.66 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1liq h HIS 9 CO 0.00 0.58 0.00 0.00 -1.30 0.00 0.00 177.93 177.21 1liq n ARG 11 N -2.43 1.76 0.00 0.00 0.63 -1.22 -3.98 116.66 111.43 1liq n ARG 11 Ca 0.00 -0.92 0.00 0.00 -0.92 0.00 0.00 57.85 56.01 1liq n ARG 11 Cb 0.16 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 31.54 1liq n ARG 11 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1liq n THR 12 N 0.09 0.00 -0.12 5.15 -1.04 -0.98 -4.59 114.28 112.79 1liq n THR 12 Ca 0.13 0.96 0.00 0.00 -2.04 0.00 0.00 64.05 63.10 1liq n THR 12 Cb 0.70 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 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 -1.24 0.75 -1.08 -2.82 2.81 -1.26 -4.98 117.12 109.29 1liq n MET 13 Ca 0.00 -0.87 0.00 0.00 -1.81 0.00 0.00 57.70 55.02 1liq n MET 13 Cb 0.00 -0.94 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 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 -0.20 0.00 -1.58 0.03 2.85 -1.26 -4.94 118.16 113.07 1liq n LYS 14 Ca 0.00 0.39 -0.28 0.00 -1.05 0.00 0.00 58.31 57.38 1liq n LYS 14 Cb 0.15 -3.65 -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 0.27 -0.05 0.00 0.00 177.40 177.62 1liq n ASN 15 N 1.86 2.14 -0.31 -5.58 0.23 -1.26 -4.74 115.26 107.60 1liq n ASN 15 Ca 0.00 -2.60 0.15 0.00 -0.53 0.00 0.00 54.58 51.60 1liq n ASN 15 Cb 0.07 -1.50 0.32 0.00 -2.08 0.00 0.00 39.78 36.60 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 5.97 0.26 -0.64 3.53 2.07 -1.92 0.65 116.25 126.18 1liq h VAL 16 Ca 0.18 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.69 1liq h VAL 16 Cb 0.89 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1liq h VAL 16 CO 1.35 0.03 0.42 -0.07 0.02 0.00 0.00 177.57 179.33 1liq h LEU 17 N 0.18 0.58 -0.44 2.57 3.38 -1.99 0.11 115.31 119.70 1liq h LEU 17 Ca 0.59 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.41 1liq h LEU 17 Cb 1.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1liq h LEU 17 CO -0.69 0.39 -0.71 -1.13 0.09 0.00 0.00 178.44 176.38 1liq h ASN 18 N 0.67 0.00 0.15 -0.43 -0.73 -0.13 -2.98 115.58 112.13 1liq h ASN 18 Ca 0.27 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.43 1liq h ASN 18 Cb 0.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.81 1liq h ASN 18 CO -0.08 0.71 -0.07 -0.74 -0.37 0.00 0.00 177.43 176.88 1liq h HIS 19 N 0.00 -0.19 -0.08 0.67 2.76 0.09 -3.28 115.15 115.12 1liq h HIS 19 Ca -0.01 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1liq h HIS 19 Cb 1.34 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.36 1liq h HIS 19 CO 0.00 0.02 0.21 0.52 -1.30 0.00 0.00 177.93 177.38 1liq h MET 20 N -1.03 0.00 0.00 5.26 2.86 -0.99 0.75 114.93 121.78 1liq h MET 20 Ca -0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1liq h MET 20 Cb 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1liq h MET 20 CO 0.03 0.00 -0.10 0.00 1.06 0.00 0.00 176.91 177.91 1liq h THR 21 N 0.00 0.68 0.00 2.22 1.03 -1.58 -3.26 112.91 112.01 1liq h THR 21 Ca 0.04 -0.39 0.00 0.00 -0.01 0.00 0.00 66.41 66.05 1liq h THR 21 Cb 0.46 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 1liq h THR 21 CO -0.00 0.09 -0.51 0.00 -0.01 0.00 0.00 175.52 175.09 1liq n HIS 22 N -3.86 0.00 -3.71 0.00 1.44 0.15 -5.01 115.22 104.22 1liq n HIS 22 Ca -0.02 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.31 1liq n HIS 22 Cb 0.19 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.18 1liq n HIS 22 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1liq n GLN 24 N 4.94 -1.67 -2.59 0.00 10.64 -1.26 -4.25 117.38 123.18 1liq n GLN 24 Ca -0.15 -0.93 0.00 0.00 -1.83 0.00 0.00 57.00 54.10 1liq n GLN 24 Cb 0.50 -0.78 0.00 0.00 -0.86 0.00 0.00 30.24 29.09 1liq n GLN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1liq n ALA 25 N -3.79 -1.74 0.00 2.61 0.00 -1.26 -4.87 120.51 111.45 1liq n ALA 25 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1liq n ALA 25 Cb 0.29 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 1.18 0.00 0.00 0.00 0.00 -1.26 -4.61 105.19 100.49 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