#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khw s ILE 62 N 0.00 3.48 -0.14 3.15 1.01 -1.26 -5.10 121.20 122.34 2khw s ILE 62 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.13 2khw s ILE 62 Cb 0.00 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 2khw s ILE 62 CO 0.00 0.52 -0.14 -0.89 0.00 0.00 0.00 174.94 174.44 2khw s THR 63 N 0.17 2.91 -0.09 2.92 2.01 -1.26 -5.11 115.64 117.19 2khw s THR 63 Ca -0.04 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.27 2khw s THR 63 Cb -0.14 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 2khw s THR 63 CO 0.04 0.52 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.01 2khw s PHE 64 N 0.58 2.82 1.02 4.92 0.08 -1.26 -5.11 117.98 121.04 2khw s PHE 64 Ca -0.08 -0.29 -0.18 0.00 0.12 0.00 0.00 56.93 56.50 2khw s PHE 64 Cb -0.16 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.53 2khw s PHE 64 CO 0.03 0.07 -0.25 -2.30 -0.10 0.00 0.00 175.22 172.67 2khw n PRO 65 N 2.81 -0.62 0.00 0.24 -0.02 -1.26 -4.78 135.00 131.37 2khw n PRO 65 Ca -0.18 -0.16 0.06 0.00 -2.02 0.00 0.00 63.50 61.20 2khw n PRO 65 Cb 0.53 -1.52 0.31 0.00 -0.02 0.00 0.00 33.50 32.80 2khw n PRO 65 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2khw n SER 66 N 0.19 0.00 0.00 2.55 2.88 -1.26 -2.14 113.62 115.84 2khw n SER 66 Ca 0.02 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2khw n SER 66 Cb 0.60 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2khw n SER 66 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2khw n ASP 67 N -1.12 1.63 -4.44 -3.46 8.00 -1.26 -5.01 116.55 110.88 2khw n ASP 67 Ca 0.07 -1.79 -0.34 0.00 0.71 0.00 0.00 54.79 53.44 2khw n ASP 67 Cb 0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.03 2khw n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2khw s ILE 68 N -0.79 3.61 -0.08 0.53 -1.09 -0.91 -5.10 121.20 117.37 2khw s ILE 68 Ca 0.00 -0.45 -0.10 0.00 -2.23 0.00 0.00 60.65 57.86 2khw s ILE 68 Cb 0.00 -2.57 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 2khw s ILE 68 CO 0.00 0.49 0.25 -0.62 -1.23 0.00 0.00 174.94 173.83 2khw s ASP 69 N 0.49 6.54 0.16 3.58 -1.08 -1.26 -4.70 116.67 120.40 2khw s ASP 69 Ca -0.05 0.65 -0.04 0.00 -0.52 0.00 0.00 52.55 52.58 2khw s ASP 69 Cb -0.15 -2.14 0.01 0.00 -1.46 0.00 0.00 42.92 39.18 2khw s ASP 69 CO 0.03 0.36 1.41 1.55 0.52 0.00 0.00 175.17 179.04 2khw h PRO 70 N 5.00 0.52 -0.71 4.34 0.13 -1.98 -2.67 132.00 136.63 2khw h PRO 70 Ca -0.53 -0.42 -0.05 0.00 -0.87 0.00 0.00 66.00 64.13 2khw h PRO 70 Cb 1.22 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2khw h PRO 70 CO 0.60 1.04 0.24 0.37 -0.23 0.00 0.00 178.00 180.03 2khw h GLN 71 N 0.36 1.09 0.00 0.86 4.15 -2.00 -1.76 115.11 117.81 2khw h GLN 71 Ca -0.03 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.08 2khw h GLN 71 Cb 1.31 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 2khw h GLN 71 CO 0.13 0.93 -0.38 0.28 -1.93 0.00 0.00 178.83 177.87 2khw h VAL 72 N 1.04 0.63 0.17 2.39 2.07 -1.99 -3.26 116.25 117.30 2khw h VAL 72 Ca 0.23 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 2khw h VAL 72 Cb 0.28 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2khw h VAL 72 CO -0.01 0.36 -0.08 0.15 0.02 0.00 0.00 177.57 178.01 2khw h PHE 73 N 0.00 -0.21 0.00 1.57 3.57 -1.09 -3.11 116.94 117.67 2khw h PHE 73 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2khw h PHE 73 Cb 1.28 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.09 2khw h PHE 73 CO 0.00 0.22 0.00 1.88 -2.23 0.00 0.00 178.31 178.18 2khw h TYR 74 N -0.81 0.00 -0.00 0.41 0.05 -1.46 0.16 116.97 115.32 2khw h TYR 74 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2khw h TYR 74 Cb 0.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.27 2khw h TYR 74 CO 0.08 0.00 -0.06 0.39 -1.05 0.00 0.00 178.16 177.52 2khw n GLU 75 N -2.79 0.59 -3.28 4.88 1.02 -1.18 -4.83 120.64 115.05 2khw n GLU 75 Ca -0.02 -0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.69 2khw n GLU 75 Cb 0.08 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 2khw n GLU 75 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2khw s LEU 76 N -2.49 4.08 0.73 -4.62 1.43 0.57 -5.05 118.68 113.33 2khw s LEU 76 Ca 0.30 0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.18 2khw s LEU 76 Cb 0.20 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2khw s LEU 76 CO 0.46 -0.17 0.93 -0.81 0.23 0.00 0.00 176.35 176.99 2khw n PRO 77 N -0.55 0.47 0.01 1.29 -0.04 -1.26 -4.74 135.00 130.18 2khw n PRO 77 Ca 0.01 0.22 -0.12 0.00 -0.04 0.00 0.00 63.50 63.56 2khw n PRO 77 Cb 0.53 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.73 2khw n PRO 77 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2khw h GLU 78 N -0.30 0.06 -0.77 0.54 4.81 -1.96 0.83 114.58 117.79 2khw h GLU 78 Ca -0.47 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 58.90 2khw h GLU 78 Cb 1.33 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.60 2khw h GLU 78 CO 0.46 0.19 0.29 0.00 -0.73 0.00 0.00 179.01 179.23 2khw h ALA 79 N 0.86 1.09 -0.01 2.92 0.00 -2.00 0.42 119.26 122.54 2khw h ALA 79 Ca 0.01 0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 2khw h ALA 79 Cb 0.16 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2khw h ALA 79 CO -0.00 -0.25 -0.76 0.28 0.00 0.00 0.00 179.25 178.52 2khw h VAL 80 N 0.41 1.50 -0.08 0.00 2.07 -1.89 -2.83 116.25 115.43 2khw h VAL 80 Ca 0.43 -2.49 -0.00 0.00 0.82 0.00 0.00 66.70 65.46 2khw h VAL 80 Cb 0.69 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2khw h VAL 80 CO -0.44 0.72 0.04 -0.61 0.02 0.00 0.00 177.57 177.31 2khw h GLN 81 N 0.05 0.11 -0.20 1.57 4.15 0.21 -1.91 115.11 119.10 2khw h GLN 81 Ca -0.02 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.41 2khw h GLN 81 Cb 1.34 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.99 2khw h GLN 81 CO 0.11 0.15 0.08 0.87 -1.93 0.00 0.00 178.83 178.11 2khw h LYS 82 N 0.04 0.18 -0.99 1.69 1.79 -0.34 0.33 116.57 119.28 2khw h LYS 82 Ca 0.03 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.56 2khw h LYS 82 Cb 0.07 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 30.61 2khw h LYS 82 CO -0.00 0.12 0.63 0.93 -1.08 0.00 0.00 179.45 180.05 2khw h GLU 83 N 0.19 1.09 -0.17 3.15 5.08 -1.32 0.54 114.58 123.14 2khw h GLU 83 Ca 0.08 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 2khw h GLU 83 Cb 0.04 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2khw h GLU 83 CO -0.07 0.72 -0.68 -0.07 -1.00 0.00 0.00 179.01 177.91 2khw h LEU 84 N 1.13 0.79 -0.39 1.33 3.38 -0.81 -2.38 115.31 118.35 2khw h LEU 84 Ca 0.43 -0.48 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 2khw h LEU 84 Cb 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2khw h LEU 84 CO -0.19 1.25 -0.48 -0.07 0.09 0.00 0.00 178.44 179.04 2khw h LEU 85 N 0.49 0.92 -1.55 1.67 3.38 -0.17 -2.17 115.31 117.88 2khw h LEU 85 Ca -0.02 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 2khw h LEU 85 Cb 1.27 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2khw h LEU 85 CO 0.13 1.24 0.15 0.00 0.09 0.00 0.00 178.44 180.06 2khw h ALA 86 N 0.78 1.66 -0.10 1.53 0.00 0.10 0.52 119.26 123.75 2khw h ALA 86 Ca 0.03 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2khw h ALA 86 Cb 1.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2khw h ALA 86 CO 0.11 0.28 -0.71 1.49 0.00 0.00 0.00 179.25 180.42 2khw h GLU 87 N 0.45 0.45 0.00 0.00 4.57 -1.18 -0.96 114.58 117.91 2khw h GLU 87 Ca 0.11 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 2khw h GLU 87 Cb 0.06 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2khw h GLU 87 CO -0.02 0.99 0.00 -1.49 -1.18 0.00 0.00 179.01 177.31 2khw h TRP 88 N 0.31 0.00 0.07 0.92 6.55 -0.61 -2.93 115.95 120.26 2khw h TRP 88 Ca -0.03 0.00 -0.28 0.00 0.95 0.00 0.00 58.89 59.53 2khw h TRP 88 Cb 1.28 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.56 2khw h TRP 88 CO 0.05 0.00 -1.53 0.87 -1.05 0.00 0.00 178.44 176.78 2khw h LYS 89 N 0.00 0.14 -0.84 0.49 1.57 -0.58 0.70 116.57 118.06 2khw h LYS 89 Ca 0.00 -0.24 0.04 0.00 -1.87 0.00 0.00 60.65 58.58 2khw h LYS 89 Cb 0.62 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 2khw h LYS 89 CO 0.00 1.11 0.53 0.07 -0.57 0.00 0.00 179.45 180.60 2khw h ARG 90 N -0.50 1.00 0.07 3.15 0.11 -1.20 -2.94 114.38 114.06 2khw h ARG 90 Ca -0.36 -0.06 -0.35 0.00 0.10 0.00 0.00 59.98 59.31 2khw h ARG 90 Cb 1.64 -0.22 -0.04 0.00 1.11 0.00 0.00 29.97 32.46 2khw h ARG 90 CO -0.05 0.66 -2.02 -2.37 0.10 0.00 0.00 179.97 176.28 2khw n THR 91 N -4.58 1.67 0.00 0.08 5.66 -1.11 -5.12 114.28 110.89 2khw n THR 91 Ca 0.11 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 2khw n THR 91 Cb 0.11 -1.43 0.00 0.00 -1.55 0.00 0.00 70.33 67.45 2khw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63