#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 3.32 -0.13 3.15 1.01 -1.26 -5.10 121.20 122.19 2khw s ILE 62 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.08 2khw s ILE 62 Cb 0.00 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 2khw s ILE 62 CO 0.00 0.53 -0.15 -0.89 0.00 0.00 0.00 174.94 174.43 2khw s THR 63 N 0.16 2.81 -0.08 2.92 2.01 -1.26 -5.11 115.64 117.07 2khw s THR 63 Ca -0.05 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.22 2khw s THR 63 Cb -0.15 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 2khw s THR 63 CO 0.04 0.53 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.00 2khw s PHE 64 N 0.45 2.75 1.03 4.92 0.08 -1.26 -5.11 117.98 120.84 2khw s PHE 64 Ca -0.11 -0.37 -0.19 0.00 0.12 0.00 0.00 56.93 56.38 2khw s PHE 64 Cb -0.16 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 2khw s PHE 64 CO 0.05 0.01 -0.35 -2.30 -0.10 0.00 0.00 175.22 172.53 2khw n PRO 65 N 2.84 -0.66 0.00 0.24 -0.02 -1.26 -4.77 135.00 131.36 2khw n PRO 65 Ca -0.18 -0.18 0.06 0.00 -2.02 0.00 0.00 63.50 61.19 2khw n PRO 65 Cb 0.52 -1.48 0.30 0.00 -0.02 0.00 0.00 33.50 32.83 2khw n PRO 65 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2khw n SER 66 N 0.35 0.00 -0.16 2.55 3.41 -1.26 -2.10 113.62 116.41 2khw n SER 66 Ca 0.01 0.15 0.02 0.00 -0.26 0.00 0.00 58.87 58.80 2khw n SER 66 Cb 0.62 -0.31 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2khw n SER 66 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2khw n ASP 67 N -1.31 1.55 -4.59 4.04 9.92 -1.26 -4.99 116.55 119.91 2khw n ASP 67 Ca 0.05 -1.37 -0.35 0.00 -0.53 0.00 0.00 54.79 52.60 2khw n ASP 67 Cb 0.10 -0.02 -0.10 0.00 -0.64 0.00 0.00 41.12 40.46 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 -0.48 4.60 -0.12 0.53 -1.09 -0.89 -5.09 121.20 118.67 2khw s ILE 68 Ca 0.05 -0.10 -0.09 0.00 -2.23 0.00 0.00 60.65 58.28 2khw s ILE 68 Cb 0.03 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 2khw s ILE 68 CO 0.05 0.45 0.18 -0.62 -1.23 0.00 0.00 174.94 173.77 2khw s ASP 69 N 0.49 6.43 0.13 3.58 -1.08 -1.26 -4.65 116.67 120.30 2khw s ASP 69 Ca 0.02 0.51 -0.12 0.00 -0.52 0.00 0.00 52.55 52.44 2khw s ASP 69 Cb -0.13 -2.10 -0.07 0.00 -1.46 0.00 0.00 42.92 39.15 2khw s ASP 69 CO 0.01 0.36 1.43 1.55 0.52 0.00 0.00 175.17 179.04 2khw h PRO 70 N 5.22 0.89 -0.72 4.34 0.13 -1.98 -2.71 132.00 137.17 2khw h PRO 70 Ca -0.52 -0.52 0.07 0.00 -0.87 0.00 0.00 66.00 64.16 2khw h PRO 70 Cb 1.22 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 2khw h PRO 70 CO 0.61 1.16 0.40 0.37 -0.23 0.00 0.00 178.00 180.32 2khw h GLN 71 N 0.68 0.70 0.00 0.86 4.15 -2.00 -1.60 115.11 117.90 2khw h GLN 71 Ca 0.03 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 2khw h GLN 71 Cb 1.07 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 2khw h GLN 71 CO 0.11 0.46 -0.39 0.28 -1.93 0.00 0.00 178.83 177.36 2khw h VAL 72 N 0.72 0.65 0.12 2.39 2.07 -1.99 -3.26 116.25 116.95 2khw h VAL 72 Ca 0.33 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 2khw h VAL 72 Cb 0.24 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2khw h VAL 72 CO -0.21 0.37 -0.06 0.15 0.02 0.00 0.00 177.57 177.85 2khw h PHE 73 N 0.00 -0.14 0.00 1.57 3.57 -0.98 -3.07 116.94 117.88 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 1.29 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.08 2khw h PHE 73 CO 0.00 0.31 0.00 1.88 -2.23 0.00 0.00 178.31 178.27 2khw h TYR 74 N -0.68 0.00 0.00 0.41 0.05 -1.50 -0.48 116.97 114.77 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 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2khw h TYR 74 CO 0.08 0.00 0.00 0.39 -1.05 0.00 0.00 178.16 177.58 2khw n GLU 75 N -2.79 0.20 -3.29 4.88 1.02 -1.16 -4.80 120.64 114.70 2khw n GLU 75 Ca -0.01 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 2khw n GLU 75 Cb 0.15 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.79 4.09 0.78 -4.62 1.43 -0.19 -5.05 118.68 112.32 2khw s LEU 76 Ca 0.21 0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 54.11 2khw s LEU 76 Cb 0.19 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 42.69 2khw s LEU 76 CO 0.49 -0.16 0.84 -0.81 0.23 0.00 0.00 176.35 176.95 2khw n PRO 77 N -0.49 0.26 0.10 1.29 -0.04 -1.26 -4.72 135.00 130.14 2khw n PRO 77 Ca 0.01 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 2khw n PRO 77 Cb 0.53 -2.13 -0.08 0.00 -0.04 0.00 0.00 33.50 31.78 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 -0.64 -0.21 -0.81 0.54 4.81 -1.96 0.12 114.58 116.43 2khw h GLU 78 Ca -0.46 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 58.97 2khw h GLU 78 Cb 1.32 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.63 2khw h GLU 78 CO 0.44 -0.01 0.28 0.00 -0.73 0.00 0.00 179.01 178.98 2khw h ALA 79 N 0.45 1.17 -0.01 2.92 0.00 -2.00 0.61 119.26 122.40 2khw h ALA 79 Ca -0.02 0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2khw h ALA 79 Cb 0.29 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2khw h ALA 79 CO 0.04 -0.33 -0.77 0.28 0.00 0.00 0.00 179.25 178.47 2khw h VAL 80 N 0.34 1.49 -0.00 0.00 2.07 -1.89 -2.82 116.25 115.44 2khw h VAL 80 Ca 0.48 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.53 2khw h VAL 80 Cb 0.86 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2khw h VAL 80 CO -0.52 0.71 -0.01 -0.61 0.02 0.00 0.00 177.57 177.17 2khw h GLN 81 N 0.07 -0.01 -0.11 1.57 4.15 0.28 -1.92 115.11 119.14 2khw h GLN 81 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.42 2khw h GLN 81 Cb 1.35 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.02 2khw h GLN 81 CO 0.11 -0.00 0.00 0.87 -1.93 0.00 0.00 178.83 177.88 2khw h LYS 82 N -0.01 0.04 -0.83 1.69 1.79 -0.42 -0.22 116.57 118.62 2khw h LYS 82 Ca 0.00 -0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 2khw h LYS 82 Cb 0.01 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.60 2khw h LYS 82 CO -0.01 0.03 0.54 0.93 -1.08 0.00 0.00 179.45 179.85 2khw h GLU 83 N 0.04 0.72 -0.02 3.15 5.08 -1.28 0.39 114.58 122.66 2khw h GLU 83 Ca 0.05 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.14 2khw h GLU 83 Cb 0.06 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2khw h GLU 83 CO -0.09 0.48 -0.92 -0.07 -1.00 0.00 0.00 179.01 177.41 2khw h LEU 84 N 0.74 0.61 -0.29 1.33 3.38 -0.69 -2.44 115.31 117.94 2khw h LEU 84 Ca 0.39 -0.47 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 2khw h LEU 84 Cb 0.50 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2khw h LEU 84 CO -0.16 1.26 -0.51 -0.07 0.09 0.00 0.00 178.44 179.05 2khw h LEU 85 N 0.28 0.96 -1.27 1.67 3.38 0.14 -2.17 115.31 118.29 2khw h LEU 85 Ca -0.08 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 2khw h LEU 85 Cb 1.55 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2khw h LEU 85 CO 0.16 1.30 0.22 0.00 0.09 0.00 0.00 178.44 180.21 2khw h ALA 86 N 0.68 1.43 -0.43 1.53 0.00 -0.29 0.10 119.26 122.29 2khw h ALA 86 Ca 0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2khw h ALA 86 Cb 1.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2khw h ALA 86 CO 0.12 0.44 -0.22 1.49 0.00 0.00 0.00 179.25 181.07 2khw h GLU 87 N 0.72 0.86 0.00 0.00 4.81 -1.27 -0.64 114.58 119.06 2khw h GLU 87 Ca 0.18 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2khw h GLU 87 Cb 0.12 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2khw h GLU 87 CO -0.02 1.00 0.00 0.91 -0.73 0.00 0.00 179.01 180.17 2khw n TRP 88 N -4.11 0.52 -0.05 0.92 8.01 -0.64 -2.94 117.44 119.16 2khw n TRP 88 Ca 0.00 0.17 -0.21 0.00 -1.31 0.00 0.00 57.50 56.14 2khw n TRP 88 Cb 0.44 -0.77 -0.13 0.00 -2.01 0.00 0.00 31.31 28.84 2khw n TRP 88 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 2khw h LYS 89 N 0.00 0.13 -0.98 -0.99 1.57 -0.08 0.33 116.57 116.54 2khw h LYS 89 Ca 0.00 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.60 2khw h LYS 89 Cb 0.54 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 2khw h LYS 89 CO 0.00 1.11 0.64 0.07 -0.57 0.00 0.00 179.45 180.69 2khw h ARG 90 N -0.54 1.19 0.05 3.15 0.11 -1.17 -3.07 114.38 114.09 2khw h ARG 90 Ca -0.35 -0.07 -0.36 0.00 0.10 0.00 0.00 59.98 59.29 2khw h ARG 90 Cb 1.61 -0.27 -0.05 0.00 1.11 0.00 0.00 29.97 32.37 2khw h ARG 90 CO -0.06 0.78 -2.16 -2.37 0.10 0.00 0.00 179.97 176.26 2khw n THR 91 N -4.45 1.61 0.00 0.08 5.66 -1.15 -5.13 114.28 110.91 2khw n THR 91 Ca 0.13 -0.68 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 2khw n THR 91 Cb 0.11 -1.34 0.00 0.00 -1.55 0.00 0.00 70.33 67.54 2khw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63