#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 3.75 -0.15 3.15 1.01 -1.26 -5.10 121.20 122.60 2khw s ILE 62 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 2khw s ILE 62 Cb 0.00 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 2khw s ILE 62 CO 0.00 0.54 -0.13 -0.89 0.00 0.00 0.00 174.94 174.45 2khw s THR 63 N -0.09 2.88 -0.08 2.92 2.01 -1.26 -5.11 115.64 116.92 2khw s THR 63 Ca 0.01 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.33 2khw s THR 63 Cb -0.13 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 2khw s THR 63 CO 0.03 0.51 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.99 2khw s PHE 64 N 0.72 2.80 1.02 4.92 0.08 -1.26 -5.09 117.98 121.17 2khw s PHE 64 Ca -0.06 -0.23 -0.17 0.00 0.12 0.00 0.00 56.93 56.58 2khw s PHE 64 Cb -0.15 -1.71 -0.00 0.00 -0.57 0.00 0.00 43.02 40.58 2khw s PHE 64 CO 0.02 0.12 -0.18 -2.30 -0.10 0.00 0.00 175.22 172.77 2khw n PRO 65 N 2.63 -0.66 0.00 0.24 -0.02 -1.26 -4.80 135.00 131.13 2khw n PRO 65 Ca -0.18 -0.17 0.07 0.00 -2.02 0.00 0.00 63.50 61.21 2khw n PRO 65 Cb 0.52 -1.56 0.42 0.00 -0.02 0.00 0.00 33.50 32.87 2khw n PRO 65 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2khw n SER 66 N -0.05 0.00 0.00 2.55 7.64 -1.26 -2.21 113.62 120.29 2khw n SER 66 Ca 0.02 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.62 2khw n SER 66 Cb 0.60 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2khw n SER 66 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2khw n ASP 67 N -1.10 1.67 -4.46 6.43 9.92 -1.26 -5.00 116.55 122.74 2khw n ASP 67 Ca 0.10 -1.70 -0.34 0.00 -0.53 0.00 0.00 54.79 52.32 2khw n ASP 67 Cb 0.07 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.43 2khw n ASP 67 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2khw s ILE 68 N -0.70 3.84 -0.38 0.53 -1.09 -0.94 -5.08 121.20 117.38 2khw s ILE 68 Ca 0.00 -0.37 -0.13 0.00 -2.23 0.00 0.00 60.65 57.93 2khw s ILE 68 Cb 0.00 -2.70 0.02 0.00 -1.58 0.00 0.00 42.46 38.20 2khw s ILE 68 CO 0.00 0.47 0.25 -0.62 -1.23 0.00 0.00 174.94 173.81 2khw s ASP 69 N 0.63 5.91 0.28 3.58 -1.08 -1.26 -4.72 116.67 120.01 2khw s ASP 69 Ca -0.02 -0.89 0.02 0.00 -0.52 0.00 0.00 52.55 51.14 2khw s ASP 69 Cb -0.14 -2.09 0.69 0.00 -1.46 0.00 0.00 42.92 39.92 2khw s ASP 69 CO 0.02 -0.39 1.67 -0.65 0.52 0.00 0.00 175.17 176.34 2khw h PRO 70 N 8.52 0.29 -0.70 4.34 0.11 -1.98 -1.11 132.00 141.47 2khw h PRO 70 Ca -0.27 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.98 2khw h PRO 70 Cb 1.12 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.04 2khw h PRO 70 CO 0.69 0.19 0.03 0.37 -0.21 0.00 0.00 178.00 179.06 2khw h GLN 71 N 0.29 0.12 0.00 1.05 4.15 -2.00 0.35 115.11 119.08 2khw h GLN 71 Ca 0.54 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.89 2khw h GLN 71 Cb 1.05 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 2khw h GLN 71 CO -0.58 0.08 -0.32 0.28 -1.93 0.00 0.00 178.83 176.36 2khw h VAL 72 N 0.13 0.58 0.18 2.39 2.07 -1.65 -3.26 116.25 116.69 2khw h VAL 72 Ca 0.38 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 2khw h VAL 72 Cb 0.65 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2khw h VAL 72 CO -0.60 0.31 -0.09 0.15 0.02 0.00 0.00 177.57 177.37 2khw h PHE 73 N 0.00 -0.23 0.00 1.57 3.57 0.20 -3.05 116.94 119.00 2khw h PHE 73 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2khw h PHE 73 Cb 1.16 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2khw h PHE 73 CO 0.00 0.19 0.00 1.88 -2.23 0.00 0.00 178.31 178.15 2khw h TYR 74 N -0.78 0.00 -0.00 0.41 0.05 -1.09 0.78 116.97 116.34 2khw h TYR 74 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2khw h TYR 74 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2khw h TYR 74 CO 0.07 0.00 -0.06 0.39 -1.05 0.00 0.00 178.16 177.50 2khw n GLU 75 N -2.69 0.39 -3.34 4.88 1.02 -1.15 -4.82 120.64 114.93 2khw n GLU 75 Ca -0.02 -0.07 -0.31 0.00 -0.02 0.00 0.00 57.16 56.75 2khw n GLU 75 Cb 0.09 -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 -2.65 4.11 0.76 -4.62 1.43 0.26 -5.05 118.68 112.93 2khw s LEU 76 Ca 0.25 0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 54.10 2khw s LEU 76 Cb 0.20 -3.69 0.01 0.00 0.03 0.00 0.00 46.19 42.73 2khw s LEU 76 CO 0.49 -0.13 0.79 -0.81 0.23 0.00 0.00 176.35 176.91 2khw n PRO 77 N -0.43 0.28 0.02 1.29 -0.04 -1.26 -4.72 135.00 130.15 2khw n PRO 77 Ca 0.00 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 2khw n PRO 77 Cb 0.53 -2.07 -0.08 0.00 -0.04 0.00 0.00 33.50 31.83 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 -0.56 0.00 -0.79 0.54 4.57 -1.96 0.81 114.58 117.19 2khw h GLU 78 Ca -0.46 -0.00 0.17 0.00 -1.18 0.00 0.00 59.36 57.89 2khw h GLU 78 Cb 1.33 -0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.81 2khw h GLU 78 CO 0.44 0.17 0.29 0.00 -1.18 0.00 0.00 179.01 178.72 2khw h ALA 79 N 0.84 1.13 -0.02 2.92 0.00 -2.00 0.51 119.26 122.65 2khw h ALA 79 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2khw h ALA 79 Cb 0.16 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2khw h ALA 79 CO -0.00 -0.29 -0.77 0.28 0.00 0.00 0.00 179.25 178.47 2khw h VAL 80 N 0.37 1.48 0.20 0.00 2.07 -1.89 -2.88 116.25 115.60 2khw h VAL 80 Ca 0.46 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.54 2khw h VAL 80 Cb 0.78 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2khw h VAL 80 CO -0.48 0.71 -0.11 -0.61 0.02 0.00 0.00 177.57 177.10 2khw h GLN 81 N 0.10 -0.28 -0.27 1.57 4.15 0.23 -1.70 115.11 118.91 2khw h GLN 81 Ca -0.02 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.46 2khw h GLN 81 Cb 1.35 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 29.07 2khw h GLN 81 CO 0.11 -0.19 0.02 0.87 -1.93 0.00 0.00 178.83 177.71 2khw h LYS 82 N -0.29 0.10 -0.94 1.69 1.79 -0.43 0.59 116.57 119.08 2khw h LYS 82 Ca -0.02 -0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.52 2khw h LYS 82 Cb 0.24 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.79 2khw h LYS 82 CO 0.03 0.07 0.59 0.93 -1.08 0.00 0.00 179.45 179.99 2khw h GLU 83 N 0.11 1.01 -0.17 3.15 5.08 -1.28 0.39 114.58 122.86 2khw h GLU 83 Ca 0.13 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.24 2khw h GLU 83 Cb 0.16 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2khw h GLU 83 CO -0.20 0.67 -0.67 -0.07 -1.00 0.00 0.00 179.01 177.74 2khw h LEU 84 N 1.04 0.76 -0.46 1.33 3.38 -0.56 -2.44 115.31 118.36 2khw h LEU 84 Ca 0.42 -0.46 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2khw h LEU 84 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2khw h LEU 84 CO -0.20 1.22 -0.37 -0.07 0.09 0.00 0.00 178.44 179.12 2khw h LEU 85 N 0.48 0.93 -1.64 1.67 3.38 -0.12 -1.87 115.31 118.13 2khw h LEU 85 Ca -0.02 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2khw h LEU 85 Cb 1.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2khw h LEU 85 CO 0.13 1.19 0.14 0.00 0.09 0.00 0.00 178.44 179.99 2khw h ALA 86 N 0.85 1.72 -0.09 1.53 0.00 -0.20 0.46 119.26 123.53 2khw h ALA 86 Ca 0.06 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2khw h ALA 86 Cb 0.94 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2khw h ALA 86 CO 0.09 0.23 -0.72 1.49 0.00 0.00 0.00 179.25 180.34 2khw h GLU 87 N 0.38 0.46 0.00 0.00 4.81 -1.08 0.13 114.58 119.29 2khw h GLU 87 Ca 0.10 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2khw h GLU 87 Cb 0.04 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2khw h GLU 87 CO -0.01 1.00 0.00 -1.49 -0.73 0.00 0.00 179.01 177.77 2khw h TRP 88 N 0.31 0.00 0.05 0.92 6.55 -0.36 -3.01 115.95 120.41 2khw h TRP 88 Ca -0.03 0.00 -0.25 0.00 0.95 0.00 0.00 58.89 59.56 2khw h TRP 88 Cb 1.30 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.57 2khw h TRP 88 CO 0.05 0.00 -1.36 0.87 -1.05 0.00 0.00 178.44 176.94 2khw h LYS 89 N 0.00 0.10 -0.90 0.49 1.57 0.10 0.60 116.57 118.53 2khw h LYS 89 Ca 0.00 -0.16 0.12 0.00 -1.87 0.00 0.00 60.65 58.74 2khw h LYS 89 Cb 0.89 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.18 2khw h LYS 89 CO 0.00 1.08 0.53 0.07 -0.57 0.00 0.00 179.45 180.55 2khw h ARG 90 N -0.66 0.79 0.10 3.15 0.11 -0.82 -1.31 114.38 115.74 2khw h ARG 90 Ca -0.34 -0.05 -0.31 0.00 0.10 0.00 0.00 59.98 59.38 2khw h ARG 90 Cb 1.51 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 32.40 2khw h ARG 90 CO -0.09 0.53 -1.66 0.00 0.10 0.00 0.00 179.97 178.84 2khw h THR 91 N 0.82 0.98 0.00 0.08 1.03 -1.66 -3.51 112.91 110.65 2khw h THR 91 Ca 0.46 -2.68 0.00 0.00 -0.01 0.00 0.00 66.41 64.17 2khw h THR 91 Cb 0.51 2.64 0.00 0.00 -1.07 0.00 0.00 68.15 70.23 2khw h THR 91 CO -0.29 0.77 0.00 0.61 -0.01 0.00 0.00 175.52 176.61