#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 3.55 -0.18 -0.18 1.01 -1.26 -5.11 121.20 119.03 2khw s ILE 62 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 2khw s ILE 62 Cb 0.00 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 40.00 2khw s ILE 62 CO 0.00 0.53 -0.13 -0.89 0.00 0.00 0.00 174.94 174.45 2khw s THR 63 N -0.86 2.72 -0.10 2.92 2.01 -1.26 -5.11 115.64 115.97 2khw s THR 63 Ca 0.14 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.41 2khw s THR 63 Cb -0.11 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2khw s THR 63 CO 0.03 0.49 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.01 2khw s PHE 64 N 1.16 2.89 1.02 4.92 0.08 -1.26 -5.10 117.98 121.69 2khw s PHE 64 Ca 0.01 -0.22 -0.17 0.00 0.12 0.00 0.00 56.93 56.67 2khw s PHE 64 Cb -0.14 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2khw s PHE 64 CO -0.05 0.11 -0.21 -2.30 -0.10 0.00 0.00 175.22 172.67 2khw n PRO 65 N 2.81 -0.60 0.00 0.24 -0.02 -1.26 -4.78 135.00 131.38 2khw n PRO 65 Ca -0.18 -0.16 0.06 0.00 -2.02 0.00 0.00 63.50 61.21 2khw n PRO 65 Cb 0.53 -1.53 0.34 0.00 -0.02 0.00 0.00 33.50 32.81 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 0.12 0.00 0.00 2.55 2.88 -1.26 -2.14 113.62 115.77 2khw n SER 66 Ca 0.02 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2khw n SER 66 Cb 0.60 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.09 1.56 -4.47 -3.46 9.92 -1.26 -5.01 116.55 112.74 2khw n ASP 67 Ca 0.08 -1.71 -0.34 0.00 -0.53 0.00 0.00 54.79 52.29 2khw n ASP 67 Cb 0.06 0.00 -0.12 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 -0.71 3.83 -0.11 0.53 -1.09 -0.91 -5.10 121.20 117.64 2khw s ILE 68 Ca 0.00 -0.37 -0.06 0.00 -2.23 0.00 0.00 60.65 57.99 2khw s ILE 68 Cb 0.00 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 2khw s ILE 68 CO 0.00 0.48 0.11 -0.62 -1.23 0.00 0.00 174.94 173.68 2khw s ASP 69 N 0.56 6.15 0.04 3.58 -1.08 -1.26 -4.69 116.67 119.97 2khw s ASP 69 Ca -0.03 0.40 -0.21 0.00 -0.52 0.00 0.00 52.55 52.19 2khw s ASP 69 Cb -0.14 -1.95 -0.14 0.00 -1.46 0.00 0.00 42.92 39.23 2khw s ASP 69 CO 0.03 0.40 1.38 1.55 0.52 0.00 0.00 175.17 179.04 2khw h PRO 70 N 5.05 0.30 -0.74 4.34 0.13 -1.99 -2.27 132.00 136.82 2khw h PRO 70 Ca -0.54 -0.14 0.17 0.00 -0.87 0.00 0.00 66.00 64.62 2khw h PRO 70 Cb 1.22 -0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 2khw h PRO 70 CO 0.58 0.65 0.07 0.37 -0.23 0.00 0.00 178.00 179.43 2khw h GLN 71 N -0.05 0.15 0.14 0.86 4.15 -2.00 -1.44 115.11 116.92 2khw h GLN 71 Ca 0.03 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.21 2khw h GLN 71 Cb 0.57 -0.03 0.03 0.00 0.21 0.00 0.00 27.48 28.25 2khw h GLN 71 CO 0.02 0.10 -0.99 0.28 -1.93 0.00 0.00 178.83 176.31 2khw h VAL 72 N 0.15 1.41 -0.23 2.39 2.07 -2.00 -3.27 116.25 116.78 2khw h VAL 72 Ca 0.41 -2.49 0.06 0.00 0.82 0.00 0.00 66.70 65.50 2khw h VAL 72 Cb 0.73 3.00 -0.07 0.00 -1.52 0.00 0.00 31.29 33.42 2khw h VAL 72 CO -0.61 0.72 -0.25 0.15 0.02 0.00 0.00 177.57 177.61 2khw h PHE 73 N -0.12 -0.68 0.00 1.57 3.57 -0.75 0.12 116.94 120.66 2khw h PHE 73 Ca -0.16 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2khw h PHE 73 Cb 1.75 0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.82 2khw h PHE 73 CO 0.16 -0.33 0.00 1.88 -2.23 0.00 0.00 178.31 177.79 2khw h TYR 74 N -0.27 0.00 0.00 0.41 0.05 -1.43 -0.23 116.97 115.50 2khw h TYR 74 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.91 2khw h TYR 74 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2khw h TYR 74 CO -0.40 0.00 0.00 0.39 -1.05 0.00 0.00 178.16 177.10 2khw n GLU 75 N -2.90 0.39 -3.34 4.88 1.02 0.40 -4.81 120.64 116.29 2khw n GLU 75 Ca -0.01 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 2khw n GLU 75 Cb 0.14 -1.50 -0.04 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 -2.61 4.09 0.76 -4.62 1.43 -0.10 -5.05 118.68 112.58 2khw s LEU 76 Ca 0.27 0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 54.07 2khw s LEU 76 Cb 0.20 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.80 2khw s LEU 76 CO 0.46 -0.15 0.95 -0.81 0.23 0.00 0.00 176.35 177.03 2khw n PRO 77 N -0.57 0.33 0.03 1.29 -0.04 -1.26 -4.74 135.00 130.05 2khw n PRO 77 Ca -0.00 0.17 -0.12 0.00 -0.04 0.00 0.00 63.50 63.51 2khw n PRO 77 Cb 0.53 -2.22 -0.08 0.00 -0.04 0.00 0.00 33.50 31.69 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 -0.55 -0.02 -0.80 0.54 4.81 -1.96 0.51 114.58 117.11 2khw h GLU 78 Ca -0.47 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 58.95 2khw h GLU 78 Cb 1.32 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.59 2khw h GLU 78 CO 0.45 0.13 0.26 0.00 -0.73 0.00 0.00 179.01 179.12 2khw h ALA 79 N 0.82 1.13 -0.02 2.92 0.00 -2.00 0.67 119.26 122.79 2khw h ALA 79 Ca -0.00 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 2khw h ALA 79 Cb 0.16 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2khw h ALA 79 CO 0.00 -0.34 -0.74 0.28 0.00 0.00 0.00 179.25 178.45 2khw h VAL 80 N 0.32 1.47 0.20 0.00 2.07 -1.89 -2.86 116.25 115.57 2khw h VAL 80 Ca 0.47 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.60 2khw h VAL 80 Cb 0.84 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2khw h VAL 80 CO -0.52 0.69 -0.10 -0.61 0.02 0.00 0.00 177.57 177.05 2khw h GLN 81 N 0.09 -0.26 -0.22 1.57 4.15 0.25 -1.87 115.11 118.81 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 1.31 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 29.02 2khw h GLN 81 CO 0.11 -0.17 -0.02 0.87 -1.93 0.00 0.00 178.83 177.69 2khw h LYS 82 N -0.27 0.05 -1.00 1.69 1.79 -0.39 -0.45 116.57 117.98 2khw h LYS 82 Ca -0.03 -0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.52 2khw h LYS 82 Cb 0.21 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.77 2khw h LYS 82 CO 0.05 0.03 0.64 0.93 -1.08 0.00 0.00 179.45 180.02 2khw h GLU 83 N 0.05 1.09 -0.13 3.15 5.08 -1.30 0.35 114.58 122.87 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 0.14 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2khw h GLU 83 CO -0.19 0.72 -0.70 -0.07 -1.00 0.00 0.00 179.01 177.77 2khw h LEU 84 N 1.12 0.67 -0.39 1.33 3.38 -0.73 -2.48 115.31 118.21 2khw h LEU 84 Ca 0.45 -0.42 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 2khw h LEU 84 Cb 0.26 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2khw h LEU 84 CO -0.20 1.18 -0.52 -0.07 0.09 0.00 0.00 178.44 178.92 2khw h LEU 85 N 0.40 0.87 -1.57 1.67 3.38 -0.31 -2.04 115.31 117.70 2khw h LEU 85 Ca -0.03 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2khw h LEU 85 Cb 1.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2khw h LEU 85 CO 0.13 1.22 0.20 0.00 0.09 0.00 0.00 178.44 180.08 2khw h ALA 86 N 0.80 1.68 -0.09 1.53 0.00 -0.29 0.24 119.26 123.12 2khw h ALA 86 Ca 0.02 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2khw h ALA 86 Cb 1.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2khw h ALA 86 CO 0.11 0.28 -0.69 1.49 0.00 0.00 0.00 179.25 180.44 2khw h GLU 87 N 0.49 0.42 0.00 0.00 4.81 -1.17 -0.12 114.58 119.01 2khw h GLU 87 Ca 0.13 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2khw h GLU 87 Cb 0.01 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2khw h GLU 87 CO -0.02 0.95 0.00 0.91 -0.73 0.00 0.00 179.01 180.12 2khw n TRP 88 N -3.86 0.25 -0.10 0.92 8.01 -0.39 -2.93 117.44 119.35 2khw n TRP 88 Ca -0.04 0.08 -0.23 0.00 -1.31 0.00 0.00 57.50 55.99 2khw n TRP 88 Cb 0.68 -0.62 -0.12 0.00 -2.01 0.00 0.00 31.31 29.24 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 -1.71 0.61 -0.35 -0.99 5.02 0.70 -0.21 118.16 121.22 2khw n LYS 89 Ca 0.06 0.43 0.08 0.00 -2.02 0.00 0.00 58.31 56.86 2khw n LYS 89 Cb 0.35 -1.67 0.26 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 -0.76 0.93 0.10 1.97 0.11 -1.09 -2.12 114.38 113.52 2khw h ARG 90 Ca -0.46 -0.06 -0.34 0.00 0.10 0.00 0.00 59.98 59.23 2khw h ARG 90 Cb 1.54 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 32.39 2khw h ARG 90 CO -0.20 0.61 -1.85 0.00 0.10 0.00 0.00 179.97 178.63 2khw h THR 91 N 0.96 0.76 0.00 0.08 1.03 -1.69 -3.52 112.91 110.54 2khw h THR 91 Ca 0.50 -2.50 0.00 0.00 -0.01 0.00 0.00 66.41 64.40 2khw h THR 91 Cb 0.53 2.53 0.00 0.00 -1.07 0.00 0.00 68.15 70.14 2khw h THR 91 CO -0.26 0.78 0.00 0.61 -0.01 0.00 0.00 175.52 176.64