#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 3.96 -0.15 -0.18 1.01 -1.26 -5.10 121.20 119.49 2khw s ILE 62 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2khw s ILE 62 Cb 0.00 -2.70 -0.00 0.00 0.01 0.00 0.00 42.46 39.77 2khw s ILE 62 CO 0.00 0.54 -0.15 -0.89 0.00 0.00 0.00 174.94 174.43 2khw s THR 63 N -0.11 2.71 -0.10 2.92 2.01 -1.26 -5.11 115.64 116.69 2khw s THR 63 Ca 0.03 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.27 2khw s THR 63 Cb -0.13 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2khw s THR 63 CO 0.02 0.52 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.00 2khw s PHE 64 N 0.69 2.84 1.03 4.92 0.08 -1.26 -5.09 117.98 121.18 2khw s PHE 64 Ca -0.07 -0.34 -0.18 0.00 0.12 0.00 0.00 56.93 56.45 2khw s PHE 64 Cb -0.16 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 2khw s PHE 64 CO 0.02 0.02 -0.22 -2.30 -0.10 0.00 0.00 175.22 172.64 2khw n PRO 65 N 2.97 -0.71 0.08 0.24 -0.02 -1.26 -4.78 135.00 131.52 2khw n PRO 65 Ca -0.18 -0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.20 2khw n PRO 65 Cb 0.53 -1.54 0.37 0.00 -0.02 0.00 0.00 33.50 32.83 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 -0.03 0.34 -0.50 2.55 2.88 -1.26 -2.11 113.62 115.50 2khw n SER 66 Ca 0.02 0.61 0.05 0.00 -1.33 0.00 0.00 58.87 58.21 2khw n SER 66 Cb 0.61 -0.67 0.11 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.90 2.62 -4.44 -3.46 9.92 -1.26 -4.97 116.55 113.06 2khw n ASP 67 Ca 0.01 -1.92 -0.33 0.00 -0.53 0.00 0.00 54.79 52.02 2khw n ASP 67 Cb 0.13 -0.16 -0.13 0.00 -0.64 0.00 0.00 41.12 40.32 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 -0.97 3.50 -0.09 0.53 -1.09 -0.89 -5.10 121.20 117.08 2khw s ILE 68 Ca 0.18 -0.50 -0.10 0.00 -2.23 0.00 0.00 60.65 58.00 2khw s ILE 68 Cb 0.09 -2.51 -0.05 0.00 -1.58 0.00 0.00 42.46 38.42 2khw s ILE 68 CO 0.13 0.51 0.22 -0.62 -1.23 0.00 0.00 174.94 173.94 2khw s ASP 69 N 0.38 6.50 0.16 3.58 -1.08 -1.26 -4.66 116.67 120.29 2khw s ASP 69 Ca -0.07 0.60 -0.05 0.00 -0.52 0.00 0.00 52.55 52.51 2khw s ASP 69 Cb -0.15 -2.13 -0.00 0.00 -1.46 0.00 0.00 42.92 39.18 2khw s ASP 69 CO 0.04 0.36 1.40 1.55 0.52 0.00 0.00 175.17 179.05 2khw h PRO 70 N 5.05 0.53 -0.57 4.34 0.13 -1.99 -2.79 132.00 136.70 2khw h PRO 70 Ca -0.53 -0.43 0.02 0.00 -0.87 0.00 0.00 66.00 64.19 2khw h PRO 70 Cb 1.22 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2khw h PRO 70 CO 0.60 1.06 0.36 0.37 -0.23 0.00 0.00 178.00 180.16 2khw h GLN 71 N 0.37 0.70 0.00 0.86 5.75 -2.01 -2.15 115.11 118.63 2khw h GLN 71 Ca -0.03 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.35 2khw h GLN 71 Cb 1.32 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 2khw h GLN 71 CO 0.13 0.46 -0.37 0.28 -2.65 0.00 0.00 178.83 176.69 2khw h VAL 72 N 0.72 0.66 0.17 2.39 2.07 -2.00 -3.29 116.25 116.96 2khw h VAL 72 Ca 0.22 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 2khw h VAL 72 Cb -0.02 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2khw h VAL 72 CO -0.08 0.36 -0.08 0.15 0.02 0.00 0.00 177.57 177.94 2khw h PHE 73 N 0.00 -0.21 0.00 1.57 3.57 -1.12 -2.77 116.94 117.98 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 1.24 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2khw h PHE 73 CO 0.00 0.12 0.00 1.88 -2.23 0.00 0.00 178.31 178.08 2khw h TYR 74 N -0.54 0.00 -0.00 0.41 0.05 -1.53 -0.31 116.97 115.04 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 0.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.15 2khw h TYR 74 CO 0.03 0.00 -0.09 0.39 -1.05 0.00 0.00 178.16 177.44 2khw n GLU 75 N -2.50 0.37 -3.28 4.88 1.02 -1.05 -4.83 120.64 115.24 2khw n GLU 75 Ca -0.01 -0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.75 2khw n GLU 75 Cb 0.12 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.69 4.07 0.77 -4.62 1.43 -0.13 -5.05 118.68 112.47 2khw s LEU 76 Ca 0.23 0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 54.10 2khw s LEU 76 Cb 0.20 -3.72 0.03 0.00 0.03 0.00 0.00 46.19 42.73 2khw s LEU 76 CO 0.51 -0.17 0.90 -0.81 0.23 0.00 0.00 176.35 177.00 2khw n PRO 77 N -0.60 0.28 0.04 1.29 -0.04 -1.26 -4.74 135.00 129.98 2khw n PRO 77 Ca 0.00 0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.49 2khw n PRO 77 Cb 0.53 -2.18 -0.08 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 -0.62 -0.05 -0.82 0.54 4.81 -1.96 0.15 114.58 116.62 2khw h GLU 78 Ca -0.46 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 58.96 2khw h GLU 78 Cb 1.32 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.59 2khw h GLU 78 CO 0.44 0.11 0.27 0.00 -0.73 0.00 0.00 179.01 179.11 2khw h ALA 79 N 0.74 1.18 -0.01 2.92 0.00 -2.00 0.60 119.26 122.68 2khw h ALA 79 Ca -0.01 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 2khw h ALA 79 Cb 0.19 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2khw h ALA 79 CO 0.01 -0.34 -0.76 0.28 0.00 0.00 0.00 179.25 178.43 2khw h VAL 80 N 0.32 1.48 -0.02 0.00 2.07 -1.89 -2.91 116.25 115.32 2khw h VAL 80 Ca 0.49 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.58 2khw h VAL 80 Cb 0.88 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2khw h VAL 80 CO -0.53 0.71 -0.01 -0.61 0.02 0.00 0.00 177.57 177.15 2khw h GLN 81 N 0.09 -0.01 -0.24 1.57 4.15 0.21 -1.28 115.11 119.60 2khw h GLN 81 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.42 2khw h GLN 81 Cb 1.34 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.00 2khw h GLN 81 CO 0.11 -0.00 0.07 0.87 -1.93 0.00 0.00 178.83 177.95 2khw h LYS 82 N -0.01 0.17 -0.61 1.69 1.79 -0.65 0.11 116.57 119.06 2khw h LYS 82 Ca 0.01 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 2khw h LYS 82 Cb 0.02 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 2khw h LYS 82 CO -0.02 0.11 0.40 0.93 -1.08 0.00 0.00 179.45 179.79 2khw h GLU 83 N 0.18 0.62 0.09 3.15 5.08 -1.28 0.19 114.58 122.60 2khw h GLU 83 Ca 0.11 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.18 2khw h GLU 83 Cb 0.08 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.22 2khw h GLU 83 CO -0.12 0.41 -1.02 -0.07 -1.00 0.00 0.00 179.01 177.21 2khw h LEU 84 N 0.64 0.74 -0.78 1.33 3.38 -0.39 -2.28 115.31 117.94 2khw h LEU 84 Ca 0.25 -0.83 -0.09 0.00 0.09 0.00 0.00 57.88 57.31 2khw h LEU 84 Cb 0.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2khw h LEU 84 CO -0.07 1.49 -0.01 -0.07 0.09 0.00 0.00 178.44 179.86 2khw h LEU 85 N 0.09 0.88 -1.06 1.67 3.38 -0.35 -1.70 115.31 118.23 2khw h LEU 85 Ca -0.15 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 2khw h LEU 85 Cb 1.73 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 2khw h LEU 85 CO 0.20 0.95 -0.01 0.00 0.09 0.00 0.00 178.44 179.67 2khw h ALA 86 N 1.14 1.22 -0.18 1.53 0.00 -0.67 -0.23 119.26 122.07 2khw h ALA 86 Ca 0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2khw h ALA 86 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2khw h ALA 86 CO 0.03 0.51 -0.27 1.49 0.00 0.00 0.00 179.25 181.01 2khw h GLU 87 N 0.62 0.34 0.00 0.00 4.81 -0.84 0.63 114.58 120.13 2khw h GLU 87 Ca 0.13 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2khw h GLU 87 Cb 0.41 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2khw h GLU 87 CO 0.02 0.59 -0.07 -1.49 -0.73 0.00 0.00 179.01 177.32 2khw h TRP 88 N 0.30 0.00 0.15 0.92 6.55 -0.47 -2.87 115.95 120.54 2khw h TRP 88 Ca 0.04 0.00 -0.35 0.00 0.95 0.00 0.00 58.89 59.54 2khw h TRP 88 Cb 0.64 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.94 2khw h TRP 88 CO 0.01 0.07 -1.79 0.87 -1.05 0.00 0.00 178.44 176.56 2khw h LYS 89 N 0.00 0.32 -0.22 0.49 1.57 -0.24 -0.56 116.57 117.93 2khw h LYS 89 Ca -0.00 -0.54 -0.03 0.00 -1.87 0.00 0.00 60.65 58.21 2khw h LYS 89 Cb 0.97 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2khw h LYS 89 CO 0.01 1.22 0.03 0.07 -0.57 0.00 0.00 179.45 180.21 2khw h ARG 90 N 0.09 0.37 -0.23 3.15 0.11 -0.95 -2.81 114.38 114.10 2khw h ARG 90 Ca -0.35 -0.10 -0.17 0.00 0.10 0.00 0.00 59.98 59.46 2khw h ARG 90 Cb 2.07 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 33.10 2khw h ARG 90 CO 0.15 0.52 -0.55 0.00 0.10 0.00 0.00 179.97 180.19 2khw h THR 91 N 0.16 1.30 0.00 0.08 1.03 -1.65 -3.52 112.91 110.32 2khw h THR 91 Ca 0.07 -1.77 0.00 0.00 -0.01 0.00 0.00 66.41 64.70 2khw h THR 91 Cb 0.33 1.71 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 2khw h THR 91 CO 0.01 0.56 0.00 0.61 -0.01 0.00 0.00 175.52 176.69