#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1und s LEU 2 N 0.00 -0.28 0.54 -3.48 2.34 -1.26 -5.11 118.68 111.43 1und s LEU 2 Ca 0.00 0.44 -0.19 0.00 0.06 0.00 0.00 54.13 54.44 1und s LEU 2 Cb 0.00 1.40 -0.08 0.00 -0.56 0.00 0.00 46.19 46.95 1und s LEU 2 CO 0.00 -0.07 0.72 -1.54 -1.06 0.00 0.00 176.35 174.40 1und n SER 3 N 3.41 -0.17 0.05 1.48 3.41 -1.26 -4.46 113.62 116.08 1und n SER 3 Ca -0.18 0.82 0.21 0.00 -0.26 0.00 0.00 58.87 59.46 1und n SER 3 Cb 0.57 -1.25 0.74 0.00 -0.26 0.00 0.00 64.21 64.00 1und n SER 3 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1und h GLU 4 N 0.55 0.00 0.00 4.33 3.07 -2.02 0.28 114.58 120.80 1und h GLU 4 Ca -0.46 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1und h GLU 4 Cb 1.38 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1und h GLU 4 CO 0.50 0.00 -0.00 1.96 -1.40 0.00 0.00 179.01 180.07 1und h GLN 5 N 0.00 0.00 -0.90 2.33 7.50 -2.00 -2.85 115.11 119.18 1und h GLN 5 Ca 0.22 0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.44 1und h GLN 5 Cb 1.05 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.52 1und h GLN 5 CO -0.00 1.00 0.59 0.22 -1.50 0.00 0.00 178.83 179.13 1und h ASP 6 N -1.00 0.90 -0.02 1.46 3.58 -1.52 -2.06 116.42 117.76 1und h ASP 6 Ca -0.00 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.49 1und h ASP 6 Cb 1.00 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.81 1und h ASP 6 CO -0.00 0.57 -0.42 0.15 -2.88 0.00 0.00 179.24 176.66 1und h PHE 7 N 1.02 -1.19 -0.76 0.28 3.04 -0.63 -1.26 116.94 117.44 1und h PHE 7 Ca 0.39 0.04 0.17 0.00 3.98 0.00 0.00 57.97 62.55 1und h PHE 7 Cb 0.21 0.52 -0.05 0.00 2.56 0.00 0.00 35.95 39.20 1und h PHE 7 CO -0.00 -0.49 0.51 0.28 -2.02 0.00 0.00 178.31 176.59 1und h VAL 8 N -0.56 0.75 -0.38 1.41 2.07 -1.13 0.43 116.25 118.85 1und h VAL 8 Ca 0.05 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1und h VAL 8 Cb 0.65 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1und h VAL 8 CO -0.33 0.06 -0.13 -1.28 0.02 0.00 0.00 177.57 175.92 1und h SER 9 N 0.32 0.76 0.79 0.57 0.87 -1.01 -0.89 113.55 114.97 1und h SER 9 Ca 0.38 -0.38 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 1und h SER 9 Cb 1.00 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1und h SER 9 CO -0.10 0.97 -1.22 0.58 -0.53 0.00 0.00 176.83 176.53 1und h VAL 10 N 0.55 1.47 0.13 2.23 2.07 -0.27 -3.36 116.25 119.07 1und h VAL 10 Ca 0.09 -3.17 -0.35 0.00 0.82 0.00 0.00 66.70 64.09 1und h VAL 10 Cb 0.66 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1und h VAL 10 CO 0.04 0.87 -1.88 -0.26 0.02 0.00 0.00 177.57 176.37 1und h PHE 11 N 0.02 0.50 0.00 1.57 -1.00 -0.29 -3.49 116.94 114.25 1und h PHE 11 Ca -0.10 -0.36 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1und h PHE 11 Cb 1.87 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.41 1und h PHE 11 CO 0.02 1.74 0.00 0.41 -1.61 0.00 0.00 178.31 178.87 1und n GLY 12 N 1.92 0.56 2.98 -1.45 0.00 -0.34 -5.03 105.19 103.83 1und n GLY 12 Ca -0.30 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 1und n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1und s ILE 13 N -2.00 0.05 0.82 -0.61 -4.36 -1.26 -5.06 121.20 108.78 1und s ILE 13 Ca 0.00 -0.38 -0.11 0.00 -0.26 0.00 0.00 60.65 59.90 1und s ILE 13 Cb 0.00 -0.21 0.09 0.00 1.25 0.00 0.00 42.46 43.59 1und s ILE 13 CO 0.00 -0.21 1.12 0.28 0.24 0.00 0.00 174.94 176.37 1und s THR 14 N -0.64 2.83 0.26 8.37 -1.32 -1.26 -4.52 115.64 119.35 1und s THR 14 Ca -0.07 0.27 -0.01 0.00 -1.21 0.00 0.00 61.69 60.67 1und s THR 14 Cb -0.04 -2.59 0.24 0.00 -1.51 0.00 0.00 72.50 68.60 1und s THR 14 CO 0.00 -0.35 1.78 -0.09 -2.21 0.00 0.00 174.62 173.76 1und h ARG 15 N -1.37 0.68 0.40 7.08 2.43 -1.98 0.89 114.38 122.51 1und h ARG 15 Ca -0.43 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 1und h ARG 15 Cb 1.25 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1und h ARG 15 CO 0.48 0.45 -0.19 0.78 -1.51 0.00 0.00 179.97 179.98 1und h GLY 16 N 0.70 -0.56 1.41 2.80 0.00 -1.98 -1.19 103.07 104.25 1und h GLY 16 Ca 0.46 0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.91 1und h GLY 16 CO -0.33 -0.20 -0.07 -1.61 0.00 0.00 0.00 176.54 174.33 1und h GLN 17 N -0.72 0.71 -0.19 4.80 4.15 -1.87 -1.80 115.11 120.19 1und h GLN 17 Ca -0.05 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 1und h GLN 17 Cb 0.51 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1und h GLN 17 CO 0.09 0.77 0.08 0.35 -1.93 0.00 0.00 178.83 178.19 1und h PHE 18 N 0.65 0.28 0.00 3.99 3.57 -0.81 0.04 116.94 124.66 1und h PHE 18 Ca 0.12 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1und h PHE 18 Cb 0.51 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1und h PHE 18 CO 0.02 0.33 0.00 0.00 -2.23 0.00 0.00 178.31 176.43 1und h ALA 19 N 0.92 1.00 0.15 2.41 0.00 -0.97 -2.37 119.26 120.40 1und h ALA 19 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 1und h ALA 19 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1und h ALA 19 CO -0.01 0.00 -1.52 0.00 0.00 0.00 0.00 179.25 177.73 1und h ALA 20 N 2.01 0.18 -3.03 0.00 0.00 -0.74 -3.47 119.26 114.21 1und h ALA 20 Ca 0.00 -1.06 -0.55 0.00 0.00 0.00 0.00 54.91 53.30 1und h ALA 20 Cb 0.27 0.26 0.14 0.00 0.00 0.00 0.00 17.79 18.46 1und h ALA 20 CO 0.00 1.05 0.55 -0.51 0.00 0.00 0.00 179.25 180.34 1und s LEU 21 N -7.12 3.71 0.48 0.00 1.43 -0.05 -4.94 118.68 112.19 1und s LEU 21 Ca -0.09 2.65 -0.22 0.00 -1.03 0.00 0.00 54.13 55.44 1und s LEU 21 Cb 0.06 -4.47 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 1und s LEU 21 CO 0.87 -1.76 0.94 -2.65 0.23 0.00 0.00 176.35 173.98 1und n PRO 22 N -1.48 1.14 -0.22 1.29 -0.02 -1.26 -4.71 135.00 129.74 1und n PRO 22 Ca 0.13 0.42 0.21 0.00 -2.02 0.00 0.00 63.50 62.24 1und n PRO 22 Cb 0.47 -2.03 0.57 0.00 -0.02 0.00 0.00 33.50 32.48 1und n PRO 22 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1und h GLY 23 N 1.13 0.65 0.59 -1.23 0.00 -1.92 0.12 103.07 102.40 1und h GLY 23 Ca -0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1und h GLY 23 CO 0.54 -0.01 -0.01 0.11 0.00 0.00 0.00 176.54 177.18 1und h TRP 24 N 0.30 0.03 -0.65 5.60 5.08 -1.99 -1.48 115.95 122.83 1und h TRP 24 Ca 0.45 -0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.41 1und h TRP 24 Cb 1.30 -0.01 -0.03 0.00 -3.00 0.00 0.00 29.16 27.42 1und h TRP 24 CO -0.00 0.44 0.37 -0.22 -1.28 0.00 0.00 178.44 177.75 1und h LYS 25 N -0.39 0.89 0.77 0.12 1.63 -1.57 -0.16 116.57 117.87 1und h LYS 25 Ca 0.00 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1und h LYS 25 Cb 0.43 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1und h LYS 25 CO 0.00 0.64 -0.40 1.96 -3.45 0.00 0.00 179.45 178.21 1und h GLN 26 N 0.91 -1.03 -0.70 1.90 4.20 -0.94 -1.30 115.11 118.15 1und h GLN 26 Ca 0.23 0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 1und h GLN 26 Cb -0.00 0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1und h GLN 26 CO -0.04 -0.69 0.31 1.37 -0.67 0.00 0.00 178.83 179.11 1und h LEU 27 N -1.07 0.92 0.18 1.46 8.10 -1.01 -2.28 115.31 121.61 1und h LEU 27 Ca -0.10 -0.12 0.00 0.00 0.11 0.00 0.00 57.88 57.77 1und h LEU 27 Cb 0.83 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.80 1und h LEU 27 CO 0.16 0.80 -0.15 -0.61 -4.11 0.00 0.00 178.44 174.52 1und h GLN 28 N 1.00 -0.34 -0.93 0.17 4.15 -0.93 -2.60 115.11 115.63 1und h GLN 28 Ca 0.24 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.80 1und h GLN 28 Cb 0.15 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 27.83 1und h GLN 28 CO -0.03 -0.23 0.56 0.52 -1.93 0.00 0.00 178.83 177.73 1und h MET 29 N -0.35 0.87 0.06 1.69 2.86 -0.84 0.13 114.93 119.34 1und h MET 29 Ca -0.01 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1und h MET 29 Cb 0.32 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1und h MET 29 CO -0.02 0.57 -0.22 0.87 1.06 0.00 0.00 176.91 179.17 1und h LYS 30 N 0.89 -0.37 -0.27 1.72 1.57 -1.12 -0.40 116.57 118.59 1und h LYS 30 Ca 0.46 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.28 1und h LYS 30 Cb 0.46 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1und h LYS 30 CO -0.27 -0.25 0.13 0.87 -0.57 0.00 0.00 179.45 179.37 1und h LYS 31 N -0.38 0.27 0.21 3.15 1.57 -1.04 -1.97 116.57 118.38 1und h LYS 31 Ca 0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1und h LYS 31 Cb 0.43 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1und h LYS 31 CO -0.16 0.18 -0.10 0.93 -0.57 0.00 0.00 179.45 179.73 1und h GLU 32 N 0.28 -0.27 -0.09 3.15 4.39 -0.77 0.14 114.58 121.42 1und h GLU 32 Ca 0.11 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.85 1und h GLU 32 Cb 0.03 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1und h GLU 32 CO -0.07 -0.00 0.07 0.87 -1.16 0.00 0.00 179.01 178.71 1und h LYS 33 N -0.52 0.00 0.00 2.33 6.56 -1.13 -3.20 116.57 120.61 1und h LYS 33 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1und h LYS 33 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1und h LYS 33 CO 0.05 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.85 1und n GLY 34 N -1.48 -1.62 0.62 3.86 0.00 -0.74 -4.98 105.19 100.86 1und n GLY 34 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1und n GLY 34 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1und n LEU 35 N 0.00 -0.37 0.00 0.99 -0.00 0.30 -5.09 117.00 112.83 1und n LEU 35 Ca 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 56.01 55.17 1und n LEU 35 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1und n LEU 35 CO 0.00 0.92 0.00 0.49 -0.00 0.00 0.00 177.39 178.80