#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrx s ASN 3 N 0.00 6.88 0.00 -1.34 3.84 -1.26 -4.89 114.94 118.17 2wrx s ASN 3 Ca 0.00 1.82 0.23 0.00 0.21 0.00 0.00 52.86 55.13 2wrx s ASN 3 Cb 0.00 -2.54 0.50 0.00 -0.55 0.00 0.00 41.25 38.67 2wrx s ASN 3 CO 0.00 -0.80 1.44 0.00 -2.79 0.00 0.00 177.10 174.95 2wrx n GLN 4 N 6.71 2.22 -2.73 0.43 6.02 -1.26 -4.92 117.38 123.84 2wrx n GLN 4 Ca 0.15 -1.81 -0.35 0.00 -0.01 0.00 0.00 57.00 54.98 2wrx n GLN 4 Cb 0.44 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.17 2wrx n GLN 4 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wrx s HIS 5 N -1.72 3.37 -0.26 1.08 3.76 -1.26 -5.05 115.29 115.20 2wrx s HIS 5 Ca 0.35 1.66 0.02 0.00 -0.15 0.00 0.00 55.06 56.94 2wrx s HIS 5 Cb 0.21 -2.94 0.07 0.00 1.11 0.00 0.00 32.58 31.02 2wrx s HIS 5 CO 0.30 -0.20 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.42 2wrx s LEU 6 N -2.82 3.21 0.12 0.89 1.43 -1.26 -5.00 118.68 115.25 2wrx s LEU 6 Ca 0.59 -1.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 2wrx s LEU 6 Cb -0.15 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2wrx s LEU 6 CO 0.19 -0.24 -0.14 0.00 0.23 0.00 0.00 176.35 176.40 2wrx n GLY 8 N 0.58 3.04 0.33 0.00 0.00 -1.26 -1.39 105.19 106.49 2wrx n GLY 8 Ca -0.16 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 45.90 2wrx n GLY 8 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wrx h SER 9 N 0.28 0.33 -0.08 1.61 0.02 -1.99 -0.84 113.55 112.88 2wrx h SER 9 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2wrx h SER 9 Cb 0.00 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2wrx h SER 9 CO 0.00 0.22 -0.21 0.45 -1.14 0.00 0.00 176.83 176.15 2wrx h HIS 10 N 0.38 0.53 -0.21 3.45 -0.00 -1.62 0.57 115.15 118.26 2wrx h HIS 10 Ca 0.20 -0.10 -0.18 0.00 -0.00 0.00 0.00 60.37 60.29 2wrx h HIS 10 Cb 0.33 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2wrx h HIS 10 CO -0.00 0.66 -0.57 1.25 -0.00 0.00 0.00 177.93 179.27 2wrx h LEU 11 N 0.43 0.86 -0.06 2.43 5.85 -0.79 0.16 115.31 124.20 2wrx h LEU 11 Ca 0.07 -0.57 0.02 0.00 0.84 0.00 0.00 57.88 58.23 2wrx h LEU 11 Cb 0.61 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2wrx h LEU 11 CO 0.04 1.29 -0.03 0.58 -0.34 0.00 0.00 178.44 179.97 2wrx h VAL 12 N 0.49 0.89 -0.40 1.05 2.07 -1.05 -1.28 116.25 118.01 2wrx h VAL 12 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 2wrx h VAL 12 Cb 1.19 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 2wrx h VAL 12 CO 0.12 0.00 0.01 -0.33 0.02 0.00 0.00 177.57 177.40 2wrx h GLU 13 N -0.03 0.12 -0.91 1.57 5.08 -0.83 -0.18 114.58 119.39 2wrx h GLU 13 Ca 0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2wrx h GLU 13 Cb 0.09 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2wrx h GLU 13 CO -0.08 0.08 0.52 0.00 -1.00 0.00 0.00 179.01 178.53 2wrx h ALA 14 N 1.35 1.20 -0.48 3.43 0.00 -0.30 -1.83 119.26 122.63 2wrx h ALA 14 Ca 0.20 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2wrx h ALA 14 Cb 0.28 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2wrx h ALA 14 CO -0.32 0.66 -0.08 -0.07 0.00 0.00 0.00 179.25 179.44 2wrx h LEU 15 N 1.27 0.86 -0.61 0.00 3.38 -0.77 -1.30 115.31 118.14 2wrx h LEU 15 Ca 0.32 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2wrx h LEU 15 Cb -0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 2wrx h LEU 15 CO -0.06 0.97 0.33 1.88 0.09 0.00 0.00 178.44 181.65 2wrx h TYR 16 N 0.79 0.61 -0.26 1.13 0.05 -0.61 0.17 116.97 118.85 2wrx h TYR 16 Ca 0.13 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 2wrx h TYR 16 Cb 0.59 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 2wrx h TYR 16 CO 0.03 0.30 0.06 1.25 -1.05 0.00 0.00 178.16 178.76 2wrx h LEU 17 N 0.63 0.40 0.00 3.88 5.85 -1.03 -3.11 115.31 121.92 2wrx h LEU 17 Ca 0.27 -0.23 -0.18 0.00 0.84 0.00 0.00 57.88 58.57 2wrx h LEU 17 Cb 0.15 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2wrx h LEU 17 CO -0.16 0.53 -1.61 0.55 -0.34 0.00 0.00 178.44 177.41 2wrx n VAL 18 N -4.70 1.11 0.08 1.05 3.14 -0.52 -4.21 118.33 114.28 2wrx n VAL 18 Ca -0.03 -0.70 -0.01 0.00 -2.96 0.00 0.00 64.34 60.64 2wrx n VAL 18 Cb 0.18 -0.63 -0.05 0.00 -1.06 0.00 0.00 33.84 32.28 2wrx n VAL 18 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wrx n GLY 20 N 1.32 2.72 0.16 0.00 0.00 -1.18 -3.89 105.19 104.33 2wrx n GLY 20 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 2wrx n GLY 20 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wrx h GLU 21 N 0.00 0.08 0.00 1.61 5.08 -1.94 -1.22 114.58 118.20 2wrx h GLU 21 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2wrx h GLU 21 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wrx h GLU 21 CO 0.00 0.59 0.00 0.54 -1.00 0.00 0.00 179.01 179.14 2wrx n ARG 22 N -3.92 0.00 0.00 2.33 1.74 -1.26 -5.01 116.66 110.54 2wrx n ARG 22 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2wrx n ARG 22 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 2wrx n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrx n GLY 23 N 0.00 -1.69 3.49 -0.13 0.00 -0.46 -5.07 105.19 101.32 2wrx n GLY 23 Ca 0.00 -1.54 -0.15 0.00 0.00 0.00 0.00 46.02 44.33 2wrx n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wrx s PHE 24 N -2.06 -0.59 -0.82 1.61 -0.71 -1.26 -4.88 117.98 109.27 2wrx s PHE 24 Ca 0.00 0.77 -0.25 0.00 -1.04 0.00 0.00 56.93 56.41 2wrx s PHE 24 Cb 0.00 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.27 2wrx s PHE 24 CO 0.00 -0.68 1.72 0.12 -1.34 0.00 0.00 175.22 175.04 2wrx s PHE 25 N -2.21 1.99 0.00 3.49 5.36 -1.26 -4.87 117.98 120.48 2wrx s PHE 25 Ca -0.05 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 2wrx s PHE 25 Cb -0.00 -4.28 0.00 0.00 -0.34 0.00 0.00 43.02 38.39 2wrx s PHE 25 CO 0.00 -1.99 0.00 0.25 -1.46 0.00 0.00 175.22 172.02 2wrx n THR 27 N 7.26 0.00 0.98 0.12 -2.24 -1.26 -5.14 114.28 114.01 2wrx n THR 27 Ca 0.28 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.13 2wrx n THR 27 Cb 0.49 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.19 2wrx n THR 27 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69