#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 -0.47 0.21 -3.48 2.34 -1.26 -5.13 118.68 110.89 1und s LEU 2 Ca 0.00 0.76 -0.30 0.00 0.06 0.00 0.00 54.13 54.65 1und s LEU 2 Cb 0.00 1.70 -0.16 0.00 -0.56 0.00 0.00 46.19 47.17 1und s LEU 2 CO 0.00 -0.12 0.85 -1.20 -1.06 0.00 0.00 176.35 174.82 1und n SER 3 N 3.57 0.20 0.34 1.48 7.64 -1.26 -4.45 113.62 121.13 1und n SER 3 Ca -0.18 1.15 0.22 0.00 1.01 0.00 0.00 58.87 61.07 1und n SER 3 Cb 0.57 -1.11 1.16 0.00 -1.01 0.00 0.00 64.21 63.82 1und n SER 3 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1und h GLU 4 N 1.95 0.00 0.02 1.43 4.39 -2.01 0.27 114.58 120.63 1und h GLU 4 Ca -0.37 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.27 1und h GLU 4 Cb 1.39 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1und h GLU 4 CO 0.61 0.00 -0.34 1.96 -1.16 0.00 0.00 179.01 180.09 1und h GLN 5 N 0.00 0.04 -0.90 2.33 7.50 -2.00 -3.18 115.11 118.89 1und h GLN 5 Ca 0.00 -0.06 0.13 0.00 0.50 0.00 0.00 58.65 59.22 1und h GLN 5 Cb 0.10 0.02 -0.07 0.00 0.05 0.00 0.00 27.48 27.58 1und h GLN 5 CO -0.00 1.03 0.58 -0.44 -1.50 0.00 0.00 178.83 178.50 1und h ASP 6 N -0.92 0.72 0.09 1.46 5.19 -1.44 -1.19 116.42 120.34 1und h ASP 6 Ca -0.08 0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1und h ASP 6 Cb 1.14 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 40.49 1und h ASP 6 CO -0.02 0.38 -0.42 0.15 -3.12 0.00 0.00 179.24 176.21 1und h PHE 7 N 0.77 -1.18 -0.15 4.55 3.04 -0.68 -1.76 116.94 121.53 1und h PHE 7 Ca 0.45 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.42 1und h PHE 7 Cb 0.61 0.51 -0.01 0.00 2.56 0.00 0.00 35.95 39.62 1und h PHE 7 CO -0.00 -0.51 0.04 0.28 -2.02 0.00 0.00 178.31 176.10 1und h VAL 8 N -0.63 1.08 -0.36 1.41 2.07 -1.21 0.35 116.25 118.95 1und h VAL 8 Ca 0.03 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1und h VAL 8 Cb 0.67 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1und h VAL 8 CO -0.26 0.09 0.07 -1.28 0.02 0.00 0.00 177.57 176.20 1und h SER 9 N 0.21 0.56 0.62 0.57 0.87 -0.81 0.37 113.55 115.94 1und h SER 9 Ca 0.05 -0.25 -0.27 0.00 -1.23 0.00 0.00 61.79 60.09 1und h SER 9 Cb 0.08 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1und h SER 9 CO -0.00 0.67 -1.23 0.58 -0.53 0.00 0.00 176.83 176.31 1und h VAL 10 N 0.43 1.50 0.07 2.23 2.07 -0.44 -3.32 116.25 118.78 1und h VAL 10 Ca 0.11 -3.05 -0.24 0.00 0.82 0.00 0.00 66.70 64.34 1und h VAL 10 Cb 0.34 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1und h VAL 10 CO 0.01 0.89 -1.12 -0.26 0.02 0.00 0.00 177.57 177.10 1und h PHE 11 N 0.08 0.27 0.00 1.57 -1.00 -0.38 -3.48 116.94 114.00 1und h PHE 11 Ca -0.13 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.45 1und h PHE 11 Cb 1.96 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 41.50 1und h PHE 11 CO 0.06 1.15 0.00 0.41 -1.61 0.00 0.00 178.31 178.32 1und n GLY 12 N 1.42 0.49 3.31 -1.45 0.00 0.12 -5.01 105.19 104.06 1und n GLY 12 Ca -0.05 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 0.03 0.78 -0.61 -4.36 -1.21 -5.05 121.20 108.79 1und s ILE 13 Ca 0.00 -0.24 -0.12 0.00 -0.26 0.00 0.00 60.65 60.03 1und s ILE 13 Cb 0.00 -0.66 0.07 0.00 1.25 0.00 0.00 42.46 43.11 1und s ILE 13 CO 0.00 -0.13 1.13 0.28 0.24 0.00 0.00 174.94 176.45 1und s THR 14 N -0.78 2.82 0.29 8.37 -1.32 -1.26 -4.45 115.64 119.32 1und s THR 14 Ca -0.09 0.31 0.03 0.00 -1.21 0.00 0.00 61.69 60.73 1und s THR 14 Cb -0.04 -2.69 0.29 0.00 -1.51 0.00 0.00 72.50 68.55 1und s THR 14 CO 0.04 -0.31 1.82 -0.09 -2.21 0.00 0.00 174.62 173.86 1und h ARG 15 N -0.99 0.88 0.34 7.08 2.43 -1.97 0.11 114.38 122.26 1und h ARG 15 Ca -0.45 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 1und h ARG 15 Cb 1.25 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1und h ARG 15 CO 0.49 0.58 -0.16 0.78 -1.51 0.00 0.00 179.97 180.15 1und h GLY 16 N 0.91 -0.48 1.43 2.80 0.00 -1.98 -1.33 103.07 104.42 1und h GLY 16 Ca 0.53 0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.97 1und h GLY 16 CO -0.30 -0.17 -0.01 -1.61 0.00 0.00 0.00 176.54 174.45 1und h GLN 17 N -0.68 0.70 -0.13 4.80 4.15 -1.83 -1.84 115.11 120.27 1und h GLN 17 Ca -0.05 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1und h GLN 17 Cb 0.48 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1und h GLN 17 CO 0.08 0.72 0.08 0.35 -1.93 0.00 0.00 178.83 178.13 1und h PHE 18 N 0.66 0.17 0.00 3.99 3.57 -0.80 0.07 116.94 124.60 1und h PHE 18 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1und h PHE 18 Cb 0.42 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1und h PHE 18 CO 0.02 0.13 0.00 0.00 -2.23 0.00 0.00 178.31 176.23 1und h ALA 19 N 1.03 1.00 0.10 2.41 0.00 -0.81 -2.23 119.26 120.75 1und h ALA 19 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 1und h ALA 19 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1und h ALA 19 CO -0.01 0.00 -1.53 0.00 0.00 0.00 0.00 179.25 177.71 1und h ALA 20 N 2.02 0.33 -2.84 0.00 0.00 -0.66 -3.47 119.26 114.63 1und h ALA 20 Ca 0.00 -1.14 -0.55 0.00 0.00 0.00 0.00 54.91 53.22 1und h ALA 20 Cb 0.23 0.29 0.17 0.00 0.00 0.00 0.00 17.79 18.48 1und h ALA 20 CO 0.00 1.20 0.43 -0.51 0.00 0.00 0.00 179.25 180.37 1und s LEU 21 N -6.88 3.35 0.45 0.00 1.43 -0.05 -4.94 118.68 112.05 1und s LEU 21 Ca -0.08 2.50 -0.23 0.00 -1.03 0.00 0.00 54.13 55.28 1und s LEU 21 Cb 0.07 -4.60 -0.10 0.00 0.03 0.00 0.00 46.19 41.59 1und s LEU 21 CO 0.84 -2.34 0.97 -2.65 0.23 0.00 0.00 176.35 173.40 1und n PRO 22 N -2.61 1.24 -0.18 1.29 -0.02 -1.26 -4.73 135.00 128.74 1und n PRO 22 Ca 0.15 0.45 0.21 0.00 -2.02 0.00 0.00 63.50 62.29 1und n PRO 22 Cb 0.49 -2.03 0.59 0.00 -0.02 0.00 0.00 33.50 32.53 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 1.34 0.49 0.59 -1.23 0.00 -1.93 -0.06 103.07 102.28 1und h GLY 23 Ca -0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1und h GLY 23 CO 0.56 0.01 -0.02 0.11 0.00 0.00 0.00 176.54 177.19 1und h TRP 24 N 0.24 -0.04 -0.48 5.60 5.08 -1.99 -1.60 115.95 122.75 1und h TRP 24 Ca 0.41 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.37 1und h TRP 24 Cb 1.23 0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 27.38 1und h TRP 24 CO -0.00 0.36 0.27 -0.22 -1.28 0.00 0.00 178.44 177.56 1und h LYS 25 N -0.46 0.66 0.80 0.12 1.63 -1.57 0.10 116.57 117.86 1und h LYS 25 Ca -0.00 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 1und h LYS 25 Cb 0.42 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1und h LYS 25 CO 0.01 0.48 -0.39 1.96 -3.45 0.00 0.00 179.45 178.06 1und h GLN 26 N 0.67 -1.04 -0.57 1.90 4.20 -0.98 -1.58 115.11 117.71 1und h GLN 26 Ca 0.17 0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.91 1und h GLN 26 Cb 0.01 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1und h GLN 26 CO -0.03 -0.69 0.16 1.37 -0.67 0.00 0.00 178.83 178.97 1und h LEU 27 N -1.09 0.80 0.26 1.46 8.10 -0.95 -2.43 115.31 121.45 1und h LEU 27 Ca -0.11 -0.13 0.00 0.00 0.11 0.00 0.00 57.88 57.75 1und h LEU 27 Cb 0.83 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 40.82 1und h LEU 27 CO 0.18 0.77 -0.25 -0.61 -4.11 0.00 0.00 178.44 174.42 1und h GLN 28 N 0.83 -0.52 -0.57 0.17 4.15 -0.73 -0.85 115.11 117.59 1und h GLN 28 Ca 0.19 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.71 1und h GLN 28 Cb 0.27 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.02 1und h GLN 28 CO -0.01 -0.35 0.26 0.52 -1.93 0.00 0.00 178.83 177.33 1und h MET 29 N -0.54 0.46 -0.16 1.69 2.86 -1.08 -0.09 114.93 118.07 1und h MET 29 Ca -0.01 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1und h MET 29 Cb 0.50 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1und h MET 29 CO -0.05 0.31 0.04 0.87 1.06 0.00 0.00 176.91 179.13 1und h LYS 30 N 0.48 0.11 0.00 1.72 1.57 -1.09 -0.65 116.57 118.70 1und h LYS 30 Ca 0.27 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.94 1und h LYS 30 Cb 0.25 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1und h LYS 30 CO -0.23 0.07 -0.49 1.57 -0.57 0.00 0.00 179.45 179.80 1und h LYS 31 N 0.11 0.00 0.03 3.15 2.10 -0.85 -1.10 116.57 120.01 1und h LYS 31 Ca 0.07 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1und h LYS 31 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1und h LYS 31 CO -0.09 0.49 -0.02 0.93 -2.00 0.00 0.00 179.45 178.76 1und h GLU 32 N 0.00 -0.05 -0.18 0.07 5.08 -0.71 0.96 114.58 119.76 1und h GLU 32 Ca -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1und h GLU 32 Cb 0.91 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1und h GLU 32 CO 0.06 0.38 0.14 0.87 -1.00 0.00 0.00 179.01 179.46 1und h LYS 33 N -0.48 0.00 0.00 2.33 6.56 -1.11 -3.27 116.57 120.61 1und h LYS 33 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1und h LYS 33 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 1und h LYS 33 CO 0.01 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.81 1und n GLY 34 N -1.55 -2.28 0.59 3.86 0.00 -0.42 -4.96 105.19 100.43 1und n GLY 34 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.34 0.00 0.99 -0.00 0.21 -5.07 117.00 112.79 1und n LEU 35 Ca 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 56.01 54.98 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 1.01 0.00 0.33 -0.00 0.00 0.00 177.39 178.73