#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 3.44 -0.14 -0.18 1.01 -1.26 -5.10 121.20 118.97 2khw s ILE 62 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 2khw s ILE 62 Cb 0.00 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 2khw s ILE 62 CO 0.00 0.52 -0.13 -0.89 0.00 0.00 0.00 174.94 174.45 2khw s THR 63 N 0.19 3.00 -0.09 2.92 2.01 -1.26 -5.11 115.64 117.30 2khw s THR 63 Ca -0.05 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2khw s THR 63 Cb -0.15 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 2khw s THR 63 CO 0.04 0.51 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.00 2khw s PHE 64 N 0.54 2.79 1.03 4.92 0.08 -1.26 -5.10 117.98 120.98 2khw s PHE 64 Ca -0.08 -0.36 -0.18 0.00 0.12 0.00 0.00 56.93 56.42 2khw s PHE 64 Cb -0.16 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2khw s PHE 64 CO 0.04 0.01 -0.27 -2.30 -0.10 0.00 0.00 175.22 172.60 2khw n PRO 65 N 2.90 -0.68 0.00 0.24 -0.02 -1.26 -4.78 135.00 131.40 2khw n PRO 65 Ca -0.18 -0.18 0.06 0.00 -2.02 0.00 0.00 63.50 61.18 2khw n PRO 65 Cb 0.52 -1.52 0.33 0.00 -0.02 0.00 0.00 33.50 32.81 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 0.14 0.00 0.00 2.55 7.64 -1.26 -2.11 113.62 120.58 2khw n SER 66 Ca 0.02 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2khw n SER 66 Cb 0.61 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 -1.12 1.62 -4.43 6.43 9.92 -1.26 -5.01 116.55 122.70 2khw n ASP 67 Ca 0.07 -1.77 -0.33 0.00 -0.53 0.00 0.00 54.79 52.23 2khw n ASP 67 Cb 0.06 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.41 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 -0.77 3.47 -0.08 0.53 -1.09 -0.90 -5.10 121.20 117.26 2khw s ILE 68 Ca 0.00 -0.51 -0.12 0.00 -2.23 0.00 0.00 60.65 57.79 2khw s ILE 68 Cb 0.00 -2.50 -0.05 0.00 -1.58 0.00 0.00 42.46 38.33 2khw s ILE 68 CO 0.00 0.50 0.30 -0.62 -1.23 0.00 0.00 174.94 173.89 2khw s ASP 69 N 0.42 6.58 0.13 3.58 -1.08 -1.26 -4.68 116.67 120.36 2khw s ASP 69 Ca -0.07 0.69 -0.09 0.00 -0.52 0.00 0.00 52.55 52.56 2khw s ASP 69 Cb -0.15 -2.18 -0.07 0.00 -1.46 0.00 0.00 42.92 39.06 2khw s ASP 69 CO 0.04 0.28 1.37 1.55 0.52 0.00 0.00 175.17 178.93 2khw h PRO 70 N 5.38 0.70 -0.73 4.34 0.13 -1.99 -2.66 132.00 137.18 2khw h PRO 70 Ca -0.49 -0.54 0.02 0.00 -0.87 0.00 0.00 66.00 64.12 2khw h PRO 70 Cb 1.21 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 2khw h PRO 70 CO 0.65 1.15 0.47 0.37 -0.23 0.00 0.00 178.00 180.42 2khw h GLN 71 N 0.50 0.92 0.00 0.86 4.15 -2.01 -1.85 115.11 117.68 2khw h GLN 71 Ca -0.03 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 2khw h GLN 71 Cb 1.31 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 2khw h GLN 71 CO 0.14 0.61 -0.36 0.28 -1.93 0.00 0.00 178.83 177.57 2khw h VAL 72 N 0.95 0.64 0.21 2.39 2.07 -1.99 -3.27 116.25 117.24 2khw h VAL 72 Ca 0.28 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2khw h VAL 72 Cb -0.05 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2khw h VAL 72 CO -0.08 0.35 -0.10 0.15 0.02 0.00 0.00 177.57 177.91 2khw h PHE 73 N 0.00 -0.26 0.00 1.57 3.57 -0.98 -2.89 116.94 117.95 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 1.24 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2khw h PHE 73 CO 0.00 0.11 0.00 1.88 -2.23 0.00 0.00 178.31 178.07 2khw h TYR 74 N -0.68 0.00 -0.00 0.41 0.05 -1.50 0.40 116.97 115.65 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 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2khw h TYR 74 CO 0.04 0.00 -0.05 0.39 -1.05 0.00 0.00 178.16 177.49 2khw n GLU 75 N -2.65 0.44 -3.32 4.88 1.02 -1.10 -4.82 120.64 115.09 2khw n GLU 75 Ca -0.01 -0.07 -0.31 0.00 -0.02 0.00 0.00 57.16 56.75 2khw n GLU 75 Cb 0.10 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.61 4.10 0.78 -4.62 1.43 0.13 -5.05 118.68 112.85 2khw s LEU 76 Ca 0.26 0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 54.14 2khw s LEU 76 Cb 0.20 -3.72 0.01 0.00 0.03 0.00 0.00 46.19 42.71 2khw s LEU 76 CO 0.48 -0.14 0.78 -0.81 0.23 0.00 0.00 176.35 176.89 2khw n PRO 77 N -0.44 0.23 0.05 1.29 -0.04 -1.26 -4.72 135.00 130.11 2khw n PRO 77 Ca 0.00 0.13 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 2khw n PRO 77 Cb 0.53 -2.08 -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 -0.65 -0.06 -0.83 0.54 4.81 -1.96 0.71 114.58 117.13 2khw h GLU 78 Ca -0.46 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.95 2khw h GLU 78 Cb 1.32 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.61 2khw h GLU 78 CO 0.43 0.10 0.37 0.00 -0.73 0.00 0.00 179.01 179.19 2khw h ALA 79 N 0.74 1.25 -0.01 2.92 0.00 -2.00 0.49 119.26 122.65 2khw h ALA 79 Ca -0.01 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2khw h ALA 79 Cb 0.19 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2khw h ALA 79 CO 0.01 -0.22 -0.77 0.28 0.00 0.00 0.00 179.25 178.55 2khw h VAL 80 N 0.48 1.51 -0.02 0.00 2.07 -1.89 -2.87 116.25 115.53 2khw h VAL 80 Ca 0.48 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2khw h VAL 80 Cb 0.79 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2khw h VAL 80 CO -0.44 0.72 0.01 -0.61 0.02 0.00 0.00 177.57 177.28 2khw h GLN 81 N 0.05 0.03 -0.24 1.57 4.15 0.23 -1.48 115.11 119.41 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 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.01 2khw h GLN 81 CO 0.11 0.04 0.10 0.87 -1.93 0.00 0.00 178.83 178.02 2khw h LYS 82 N 0.00 0.21 -1.00 1.69 1.79 -0.57 -0.33 116.57 118.35 2khw h LYS 82 Ca 0.01 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 2khw h LYS 82 Cb 0.02 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.56 2khw h LYS 82 CO -0.00 0.14 0.65 0.93 -1.08 0.00 0.00 179.45 180.09 2khw h GLU 83 N 0.22 1.19 -0.25 3.15 5.08 -1.28 0.33 114.58 123.03 2khw h GLU 83 Ca 0.10 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 2khw h GLU 83 Cb 0.06 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2khw h GLU 83 CO -0.09 0.79 -0.58 -0.07 -1.00 0.00 0.00 179.01 178.06 2khw h LEU 84 N 1.23 0.89 -0.56 1.33 3.38 -0.75 -2.39 115.31 118.44 2khw h LEU 84 Ca 0.41 -0.49 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 2khw h LEU 84 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2khw h LEU 84 CO -0.15 1.28 -0.46 -0.07 0.09 0.00 0.00 178.44 179.13 2khw h LEU 85 N 0.60 0.68 -1.38 1.67 3.38 -0.49 -2.26 115.31 117.52 2khw h LEU 85 Ca 0.00 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2khw h LEU 85 Cb 1.18 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2khw h LEU 85 CO 0.12 1.03 0.09 0.00 0.09 0.00 0.00 178.44 179.78 2khw h ALA 86 N 0.99 1.50 -0.22 1.53 0.00 -0.26 0.17 119.26 122.97 2khw h ALA 86 Ca 0.03 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 2khw h ALA 86 Cb 0.99 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2khw h ALA 86 CO 0.09 0.37 -0.55 1.49 0.00 0.00 0.00 179.25 180.65 2khw h GLU 87 N 0.51 0.76 0.00 0.00 4.22 -1.16 0.42 114.58 119.33 2khw h GLU 87 Ca 0.12 -0.53 0.00 0.00 0.08 0.00 0.00 59.36 59.03 2khw h GLU 87 Cb 0.19 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2khw h GLU 87 CO -0.00 1.15 0.00 0.91 -2.18 0.00 0.00 179.01 178.88 2khw n TRP 88 N -4.08 0.58 -0.09 0.92 8.01 -0.87 -3.02 117.44 118.88 2khw n TRP 88 Ca -0.06 0.20 -0.23 0.00 -1.31 0.00 0.00 57.50 56.10 2khw n TRP 88 Cb 0.63 -0.82 -0.12 0.00 -2.01 0.00 0.00 31.31 28.99 2khw n TRP 88 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2khw n LYS 89 N -2.00 0.61 -0.32 -0.99 5.02 0.54 -0.31 118.16 120.71 2khw n LYS 89 Ca 0.04 0.42 0.10 0.00 -2.02 0.00 0.00 58.31 56.85 2khw n LYS 89 Cb 0.30 -1.67 0.31 0.00 -0.02 0.00 0.00 35.03 33.95 2khw n LYS 89 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2khw h ARG 90 N -0.72 0.81 0.06 1.97 0.11 -0.95 -2.45 114.38 113.21 2khw h ARG 90 Ca -0.46 -0.05 -0.36 0.00 0.10 0.00 0.00 59.98 59.22 2khw h ARG 90 Cb 1.56 -0.18 -0.04 0.00 1.11 0.00 0.00 29.97 32.41 2khw h ARG 90 CO -0.19 0.54 -2.08 -2.37 0.10 0.00 0.00 179.97 175.97 2khw n THR 91 N -4.62 1.65 1.27 0.08 5.66 -1.17 -5.12 114.28 112.04 2khw n THR 91 Ca 0.19 -0.69 0.10 0.00 -3.05 0.00 0.00 64.05 60.60 2khw n THR 91 Cb 0.44 -1.39 0.60 0.00 -1.55 0.00 0.00 70.33 68.43 2khw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63