#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 0.17 -3.48 2.34 -1.26 -5.12 118.68 111.05 1und s LEU 2 Ca 0.00 0.46 -0.31 0.00 0.06 0.00 0.00 54.13 54.34 1und s LEU 2 Cb 0.00 1.42 -0.17 0.00 -0.56 0.00 0.00 46.19 46.88 1und s LEU 2 CO 0.00 -0.07 0.82 -1.20 -1.06 0.00 0.00 176.35 174.84 1und n SER 3 N 3.26 -0.13 0.33 1.48 7.64 -1.26 -4.41 113.62 120.53 1und n SER 3 Ca -0.17 1.15 0.20 0.00 1.01 0.00 0.00 58.87 61.05 1und n SER 3 Cb 0.57 -1.05 1.05 0.00 -1.01 0.00 0.00 64.21 63.77 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 1.98 0.00 0.08 1.43 4.39 -2.01 0.28 114.58 120.73 1und h GLU 4 Ca -0.37 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.12 1und h GLU 4 Cb 1.40 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1und h GLU 4 CO 0.62 0.00 -1.06 1.96 -1.16 0.00 0.00 179.01 179.36 1und h GLN 5 N 0.00 0.17 -0.90 2.33 1.08 -2.00 -3.18 115.11 112.61 1und h GLN 5 Ca 0.01 -0.28 0.15 0.00 -1.45 0.00 0.00 58.65 57.07 1und h GLN 5 Cb 0.26 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.73 1und h GLN 5 CO -0.00 1.14 0.58 -0.44 -0.95 0.00 0.00 178.83 179.15 1und h ASP 6 N -0.56 0.65 0.17 1.46 5.19 -1.40 -0.19 116.42 121.76 1und h ASP 6 Ca -0.24 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1und h ASP 6 Cb 1.53 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.92 1und h ASP 6 CO 0.01 0.32 -0.47 0.15 -3.12 0.00 0.00 179.24 176.14 1und h PHE 7 N 0.69 -1.34 -0.27 4.55 3.04 -0.67 -1.56 116.94 121.38 1und h PHE 7 Ca 0.46 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.46 1und h PHE 7 Cb 0.74 0.56 -0.01 0.00 2.56 0.00 0.00 35.95 39.80 1und h PHE 7 CO -0.00 -0.57 0.18 0.28 -2.02 0.00 0.00 178.31 176.18 1und h VAL 8 N -0.74 1.01 -0.07 1.41 2.07 -1.05 0.37 116.25 119.26 1und h VAL 8 Ca 0.00 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1und h VAL 8 Cb 0.74 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1und h VAL 8 CO -0.24 0.05 0.01 -1.28 0.02 0.00 0.00 177.57 176.13 1und h SER 9 N 0.26 0.10 0.48 0.57 0.87 -0.80 0.70 113.55 115.73 1und h SER 9 Ca 0.11 -0.26 -0.19 0.00 -1.23 0.00 0.00 61.79 60.21 1und h SER 9 Cb 0.12 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1und h SER 9 CO -0.02 0.34 -0.83 0.58 -0.53 0.00 0.00 176.83 176.37 1und h VAL 10 N -0.14 1.45 0.12 2.23 2.07 -0.29 -3.27 116.25 118.43 1und h VAL 10 Ca 0.02 -2.45 -0.28 0.00 0.82 0.00 0.00 66.70 64.82 1und h VAL 10 Cb 0.28 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1und h VAL 10 CO 0.00 0.72 -1.28 -0.26 0.02 0.00 0.00 177.57 176.77 1und h PHE 11 N 0.15 0.45 0.00 1.57 -1.00 -0.34 -3.48 116.94 114.30 1und h PHE 11 Ca -0.04 -0.33 0.00 0.00 2.81 0.00 0.00 57.97 60.41 1und h PHE 11 Cb 1.44 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.98 1und h PHE 11 CO 0.03 1.28 0.00 0.41 -1.61 0.00 0.00 178.31 178.42 1und n GLY 12 N 1.54 0.47 3.29 -1.45 0.00 0.23 -5.02 105.19 104.26 1und n GLY 12 Ca -0.09 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 0.02 0.78 -0.61 -4.36 -1.20 -5.05 121.20 108.79 1und s ILE 13 Ca 0.00 -0.19 -0.12 0.00 -0.26 0.00 0.00 60.65 60.08 1und s ILE 13 Cb 0.00 -0.62 0.07 0.00 1.25 0.00 0.00 42.46 43.16 1und s ILE 13 CO 0.00 -0.11 1.13 0.28 0.24 0.00 0.00 174.94 176.48 1und s THR 14 N -0.53 2.83 0.30 8.37 -1.32 -1.26 -4.43 115.64 119.60 1und s THR 14 Ca -0.06 0.31 0.03 0.00 -1.21 0.00 0.00 61.69 60.76 1und s THR 14 Cb -0.04 -2.69 0.29 0.00 -1.51 0.00 0.00 72.50 68.56 1und s THR 14 CO 0.03 -0.32 1.83 -0.09 -2.21 0.00 0.00 174.62 173.86 1und h ARG 15 N -1.01 0.88 0.40 7.08 2.43 -1.97 0.12 114.38 122.31 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 -0.19 0.78 -1.51 0.00 0.00 179.97 180.12 1und h GLY 16 N 0.91 -0.56 1.39 2.80 0.00 -1.98 -1.12 103.07 104.51 1und h GLY 16 Ca 0.51 0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.98 1und h GLY 16 CO -0.28 -0.20 -0.00 -1.61 0.00 0.00 0.00 176.54 174.44 1und h GLN 17 N -0.73 0.74 -0.13 4.80 4.15 -1.84 -1.83 115.11 120.28 1und h GLN 17 Ca -0.05 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1und h GLN 17 Cb 0.51 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1und h GLN 17 CO 0.09 0.76 0.07 0.35 -1.93 0.00 0.00 178.83 178.17 1und h PHE 18 N 0.70 0.14 0.00 3.99 3.57 -0.77 0.22 116.94 124.79 1und h PHE 18 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1und h PHE 18 Cb 0.43 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1und h PHE 18 CO 0.02 0.08 0.00 0.00 -2.23 0.00 0.00 178.31 176.19 1und h ALA 19 N 1.05 1.00 0.10 2.41 0.00 -0.78 -2.26 119.26 120.78 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 17.77 1und h ALA 19 CO -0.02 0.00 -1.52 0.00 0.00 0.00 0.00 179.25 177.71 1und h ALA 20 N 2.02 0.33 -2.87 0.00 0.00 -0.63 -3.47 119.26 114.64 1und h ALA 20 Ca 0.00 -1.13 -0.55 0.00 0.00 0.00 0.00 54.91 53.23 1und h ALA 20 Cb 0.25 0.28 0.17 0.00 0.00 0.00 0.00 17.79 18.49 1und h ALA 20 CO 0.00 1.19 0.43 -0.51 0.00 0.00 0.00 179.25 180.36 1und s LEU 21 N -6.88 3.36 0.44 0.00 1.43 -0.00 -4.93 118.68 112.09 1und s LEU 21 Ca -0.08 2.51 -0.24 0.00 -1.03 0.00 0.00 54.13 55.30 1und s LEU 21 Cb 0.07 -4.61 -0.10 0.00 0.03 0.00 0.00 46.19 41.58 1und s LEU 21 CO 0.85 -2.35 0.95 -2.65 0.23 0.00 0.00 176.35 173.37 1und n PRO 22 N -2.60 1.21 -0.14 1.29 -0.02 -1.26 -4.72 135.00 128.76 1und n PRO 22 Ca 0.15 0.44 0.21 0.00 -2.02 0.00 0.00 63.50 62.27 1und n PRO 22 Cb 0.49 -1.98 0.61 0.00 -0.02 0.00 0.00 33.50 32.60 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 1.35 0.36 0.59 -1.23 0.00 -1.93 -0.02 103.07 102.20 1und h GLY 23 Ca -0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1und h GLY 23 CO 0.56 0.01 -0.02 0.11 0.00 0.00 0.00 176.54 177.20 1und h TRP 24 N 0.19 -0.05 -0.26 5.60 5.08 -1.99 -1.62 115.95 122.89 1und h TRP 24 Ca 0.37 -0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.32 1und h TRP 24 Cb 1.17 0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 27.33 1und h TRP 24 CO -0.00 0.35 0.07 -0.22 -1.28 0.00 0.00 178.44 177.36 1und h LYS 25 N -0.47 0.37 0.74 0.12 1.63 -1.52 0.11 116.57 117.55 1und h LYS 25 Ca -0.01 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 1und h LYS 25 Cb 0.43 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1und h LYS 25 CO 0.01 0.35 -0.36 1.96 -3.45 0.00 0.00 179.45 177.96 1und h GLN 26 N 0.37 -0.96 -0.68 1.90 4.20 -0.99 -1.23 115.11 117.72 1und h GLN 26 Ca 0.09 0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 1und h GLN 26 Cb 0.14 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1und h GLN 26 CO -0.00 -0.63 0.24 1.37 -0.67 0.00 0.00 178.83 179.14 1und h LEU 27 N -1.05 0.95 -0.05 1.46 8.10 -0.91 -2.19 115.31 121.62 1und h LEU 27 Ca -0.10 -0.15 0.03 0.00 0.11 0.00 0.00 57.88 57.77 1und h LEU 27 Cb 0.78 -0.25 -0.04 0.00 -0.44 0.00 0.00 40.66 40.71 1und h LEU 27 CO 0.17 0.87 -0.16 -0.61 -4.11 0.00 0.00 178.44 174.59 1und h GLN 28 N 1.00 -0.24 -0.15 0.17 -0.00 -0.76 -0.56 115.11 114.57 1und h GLN 28 Ca 0.23 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.91 1und h GLN 28 Cb 0.24 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 1und h GLN 28 CO -0.01 -0.16 0.05 0.52 0.00 0.00 0.00 178.83 179.22 1und h MET 29 N -0.25 0.11 -0.37 1.69 2.86 -0.87 0.72 114.93 118.82 1und h MET 29 Ca 0.07 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1und h MET 29 Cb 0.34 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1und h MET 29 CO -0.19 0.07 0.16 0.87 1.06 0.00 0.00 176.91 178.88 1und h LYS 30 N 0.12 0.32 -0.46 1.72 1.57 -1.15 -2.13 116.57 116.56 1und h LYS 30 Ca 0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1und h LYS 30 Cb 0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1und h LYS 30 CO -0.07 0.21 0.22 0.87 -0.57 0.00 0.00 179.45 180.11 1und h LYS 31 N 0.33 0.66 -0.72 3.15 1.57 -0.90 -3.26 116.57 117.39 1und h LYS 31 Ca 0.16 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1und h LYS 31 Cb 0.11 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1und h LYS 31 CO -0.14 0.56 0.46 0.93 -0.57 0.00 0.00 179.45 180.68 1und h GLU 32 N 0.59 0.96 -0.32 3.15 4.39 -0.34 0.66 114.58 123.67 1und h GLU 32 Ca 0.16 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.86 1und h GLU 32 Cb 0.12 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1und h GLU 32 CO -0.02 0.66 0.23 0.87 -1.16 0.00 0.00 179.01 179.59 1und h LYS 33 N 0.98 0.08 0.00 2.33 6.56 -1.45 -3.27 116.57 121.79 1und h LYS 33 Ca 0.26 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.85 1und h LYS 33 Cb -0.07 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1und h LYS 33 CO -0.05 0.05 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 1und n GLY 34 N -1.58 0.70 1.57 3.86 0.00 -0.08 -4.99 105.19 104.67 1und n GLY 34 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.83 0.00 0.99 -0.00 0.03 -5.12 117.00 112.07 1und n LEU 35 Ca 0.00 -1.92 0.00 0.00 -0.00 0.00 0.00 56.01 54.09 1und n LEU 35 Cb 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1und n LEU 35 CO 0.00 1.33 0.00 0.33 -0.00 0.00 0.00 177.39 179.05