#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pux s HIS 1 N 0.00 3.20 0.97 -5.13 0.00 -1.26 -5.05 115.29 108.02 2pux s HIS 1 Ca 0.00 -0.26 -0.16 0.00 -3.00 0.00 0.00 55.06 51.64 2pux s HIS 1 Cb 0.00 -2.41 0.24 0.00 -4.00 0.00 0.00 32.58 26.41 2pux s HIS 1 CO 0.00 -0.34 0.88 0.25 -1.00 0.00 0.00 174.74 174.53 2pux n THR 1 N 5.05 0.00 0.00 -5.38 -2.24 -1.26 -5.08 114.28 105.36 2pux n THR 1 Ca -0.13 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2pux n THR 1 Cb 0.50 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 2pux n THR 1 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2pux n PHE 1 N -4.33 0.00 -3.83 4.78 3.01 -1.26 -5.17 117.46 110.66 2pux n PHE 1 Ca 0.12 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.22 2pux n PHE 1 Cb 0.47 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.80 2pux n PHE 1 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 2pux s ASN 1 N 0.00 4.72 0.41 4.37 3.84 -1.26 -4.99 114.94 122.02 2pux s ASN 1 Ca 0.00 -0.35 0.25 0.00 0.21 0.00 0.00 52.86 52.97 2pux s ASN 1 Cb 0.00 -1.83 1.32 0.00 -0.55 0.00 0.00 41.25 40.19 2pux s ASN 1 CO 0.00 -0.04 1.64 -0.08 -2.79 0.00 0.00 177.10 175.83 2pux h GLU 1 N 8.17 0.15 -0.97 0.43 4.81 -1.95 0.93 114.58 126.15 2pux h GLU 1 Ca -0.39 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.91 2pux h GLU 1 Cb 1.16 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 2pux h GLU 1 CO 0.59 0.10 0.62 -0.22 -0.73 0.00 0.00 179.01 179.37 2pux h LYS 1 N 0.15 1.05 0.00 1.92 3.64 -1.94 0.92 116.57 122.31 2pux h LYS 1 Ca 0.78 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.93 2pux h LYS 1 Cb 2.26 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 33.81 2pux h LYS 1 CO -0.49 0.69 -1.85 0.25 -2.27 0.00 0.00 179.45 175.79 2pux n THR 1 N -4.56 0.66 0.10 1.00 -2.24 -0.26 -4.53 114.28 104.45 2pux n THR 1 Ca 0.16 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2pux n THR 1 Cb 0.23 -0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 2pux n THR 1 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2pux h PHE 1 N 0.00 0.00 0.00 4.78 3.04 -0.91 -3.50 116.94 120.34 2pux h PHE 1 Ca -0.26 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.69 2pux h PHE 1 Cb 1.50 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.01 2pux h PHE 1 CO 0.00 0.61 0.00 0.41 -2.02 0.00 0.00 178.31 177.31 2pux n GLY 1 N 1.29 -1.90 3.90 2.40 0.00 0.32 -4.96 105.19 106.23 2pux n GLY 1 Ca -0.01 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 2pux n GLY 1 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pux s LEU 1 N 0.00 3.74 0.00 0.99 1.43 -1.26 -4.48 118.68 119.09 2pux s LEU 1 Ca 0.00 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2pux s LEU 1 Cb 0.00 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2pux s LEU 1 CO 0.00 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.71 2pux n GLY 1 N -1.86 0.49 0.17 -3.19 0.00 -1.26 -5.02 105.19 94.52 2pux n GLY 1 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 2pux n GLY 1 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2pux h GLU 1 N 0.00 0.08 0.00 1.61 4.81 -1.96 -1.05 114.58 118.08 2pux h GLU 1 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2pux h GLU 1 Cb 0.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2pux h GLU 1 CO 0.00 0.05 -0.02 0.00 -0.73 0.00 0.00 179.01 178.31 2pux h ALA 1 N 1.35 1.61 -0.33 2.92 0.00 -1.96 -2.30 119.26 120.56 2pux h ALA 1 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pux h ALA 1 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2pux h ALA 1 CO -0.34 0.03 0.00 -3.47 0.00 0.00 0.00 179.25 175.47 2pux n ASP 1 N -4.00 2.98 -4.63 0.00 2.03 -0.88 -4.94 116.55 107.11 2pux n ASP 1 Ca -0.03 -2.10 -0.36 0.00 0.52 0.00 0.00 54.79 52.83 2pux n ASP 1 Cb 0.11 -0.25 0.08 0.00 -0.72 0.00 0.00 41.12 40.34 2pux n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pux n GLY 2 N 1.08 0.77 3.29 0.00 0.00 -1.26 -4.98 105.19 104.10 2pux n GLY 2 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2pux n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pux s LEU 3 N 0.00 4.21 -0.07 0.99 1.43 -1.22 -5.03 118.68 118.98 2pux s LEU 3 Ca 0.00 -1.03 -0.30 0.00 -1.03 0.00 0.00 54.13 51.77 2pux s LEU 3 Cb 0.00 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2pux s LEU 3 CO 0.00 -0.29 1.05 -0.13 0.23 0.00 0.00 176.35 177.21 2pux s ARG 4 N 1.43 4.43 0.29 1.70 0.52 -1.26 -4.84 118.95 121.22 2pux s ARG 4 Ca -0.00 1.48 0.03 0.00 -0.52 0.00 0.00 55.73 56.71 2pux s ARG 4 Cb -0.19 -3.52 0.65 0.00 0.52 0.00 0.00 34.95 32.41 2pux s ARG 4 CO 0.03 -0.30 1.78 -1.35 0.02 0.00 0.00 175.30 175.48 2pux h PRO 5 N 7.11 0.76 -0.21 3.54 0.11 -1.97 -1.13 132.00 140.20 2pux h PRO 5 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2pux h PRO 5 Cb 1.16 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2pux h PRO 5 CO 0.84 0.50 0.00 1.28 -0.21 0.00 0.00 178.00 180.41 2pux n LEU 6 N -4.76 2.19 0.00 2.35 4.77 -1.26 -4.09 117.00 116.19 2pux n LEU 6 Ca 0.21 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 2pux n LEU 6 Cb 0.50 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2pux n LEU 6 CO 0.22 0.45 0.00 0.49 -1.33 0.00 0.00 177.39 177.23 2pux n PHE 7 N 0.67 0.00 -0.29 -1.77 3.72 -0.53 -4.75 117.46 114.50 2pux n PHE 7 Ca 0.17 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.67 2pux n PHE 7 Cb 0.41 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.22 2pux n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2pux h GLU 8 N 0.00 0.43 0.00 -1.08 3.07 -1.52 0.97 114.58 116.45 2pux h GLU 8 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 2pux h GLU 8 Cb 0.00 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 2pux h GLU 8 CO 0.00 0.29 -0.08 0.87 -1.40 0.00 0.00 179.01 178.69 2pux h LYS 9 N 0.45 0.00 -0.29 2.33 1.79 -1.47 -1.73 116.57 117.65 2pux h LYS 9 Ca 0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 2pux h LYS 9 Cb 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2pux h LYS 9 CO -0.47 0.08 0.00 1.63 -1.08 0.00 0.00 179.45 179.60 2pux n LYS 10 N -3.40 2.13 -3.09 3.15 5.02 0.11 -4.96 118.16 117.12 2pux n LYS 10 Ca -0.01 -1.96 -0.21 0.00 -2.02 0.00 0.00 58.31 54.11 2pux n LYS 10 Cb 0.23 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 33.91 2pux n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2pux n SER 11 N 1.01 -5.79 -4.49 4.39 7.64 -0.22 -5.00 113.62 111.17 2pux n SER 11 Ca 0.14 -0.32 -0.31 0.00 1.01 0.00 0.00 58.87 59.39 2pux n SER 11 Cb 0.48 -4.56 -0.12 0.00 -1.01 0.00 0.00 64.21 59.00 2pux n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2pux s LEU 12 N -6.25 2.72 0.11 -3.43 1.02 0.08 -4.99 118.68 107.94 2pux s LEU 12 Ca 0.34 -0.41 0.06 0.00 0.02 0.00 0.00 54.13 54.15 2pux s LEU 12 Cb -0.15 -1.58 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 2pux s LEU 12 CO 0.43 0.24 -0.05 -0.54 0.02 0.00 0.00 176.35 176.45 2pux s LYS 13 N -1.60 2.31 0.00 1.70 1.02 -1.26 -3.56 119.74 118.35 2pux s LYS 13 Ca 0.16 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.17 2pux s LYS 13 Cb -0.11 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 2pux s LYS 13 CO 0.07 0.51 0.00 -0.40 -0.92 0.00 0.00 175.35 174.61 2pux n ASP 14 N 0.50 0.00 -0.01 2.83 5.68 -1.26 -5.03 116.55 119.26 2pux n ASP 14 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 2pux n ASP 14 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 2pux n ASP 14 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2pux n THR 14 N 0.00 0.00 0.30 2.12 -2.24 -1.26 -4.68 114.28 108.52 2pux n THR 14 Ca 0.00 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.97 2pux n THR 14 Cb 0.00 -0.13 0.87 0.00 -2.10 0.00 0.00 70.33 68.97 2pux n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2pux h GLU 14 N 0.00 0.00 -0.05 -0.78 4.11 -2.04 -2.44 114.58 113.38 2pux h GLU 14 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 2pux h GLU 14 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2pux h GLU 14 CO 0.00 0.00 -0.27 -0.22 0.07 0.00 0.00 179.01 178.59 2pux h LYS 14 N 0.00 0.09 -1.32 1.06 3.64 -2.01 -2.90 116.57 115.13 2pux h LYS 14 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2pux h LYS 14 Cb 0.33 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2pux h LYS 14 CO 0.00 0.36 0.00 -1.91 -2.27 0.00 0.00 179.45 175.63 2pux n GLU 14 N -4.18 0.08 0.00 1.90 2.13 -0.92 -0.02 120.64 119.63 2pux n GLU 14 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2pux n GLU 14 Cb 0.34 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.73 2pux n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2pux n LEU 14 N 0.80 0.00 -0.36 4.31 7.94 -1.10 -2.15 117.00 126.43 2pux n LEU 14 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 2pux n LEU 14 Cb 0.03 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.22 2pux n LEU 14 CO 0.00 0.00 1.24 0.44 -1.11 0.00 0.00 177.39 177.96 2pux h ASP 14 N 0.00 0.94 1.06 1.96 3.45 -0.73 -0.79 116.42 122.30 2pux h ASP 14 Ca 0.00 0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.47 2pux h ASP 14 Cb 0.00 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 2pux h ASP 14 CO 0.00 0.50 -0.18 0.77 -1.57 0.00 0.00 179.24 178.77 2pux h SER 14 N 1.01 0.00 1.08 6.45 4.64 -1.68 0.10 113.55 125.15 2pux h SER 14 Ca 0.49 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.62 2pux h SER 14 Cb 0.47 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 2pux h SER 14 CO -0.26 0.18 -0.93 1.88 -0.87 0.00 0.00 176.83 176.83 2pux h TYR 14 N 0.00 0.00 0.09 4.77 0.99 -1.46 -3.37 116.97 118.00 2pux h TYR 14 Ca -0.00 0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.37 2pux h TYR 14 Cb 0.76 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.46 2pux h TYR 14 CO 0.00 0.88 -2.00 -0.89 -0.00 0.00 0.00 178.16 176.16 2pux n ILE 14 N -3.30 1.73 -1.95 -2.88 5.41 -0.81 -4.77 119.36 112.78 2pux n ILE 14 Ca -0.01 -0.68 -0.32 0.00 1.00 0.00 0.00 62.75 62.75 2pux n ILE 14 Cb 0.90 -1.57 -0.04 0.00 -0.71 0.00 0.00 39.64 38.21 2pux n ILE 14 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2pux s ASP 14 N -6.82 5.00 0.00 4.38 1.11 0.00 -5.11 116.67 115.23 2pux s ASP 14 Ca -0.20 0.02 0.00 0.00 0.18 0.00 0.00 52.55 52.55 2pux s ASP 14 Cb 0.07 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.52 2pux s ASP 14 CO 0.77 -2.71 0.00 0.61 1.18 0.00 0.00 175.17 175.02