#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 3.93 -0.15 0.58 1.01 -1.26 -5.10 121.20 120.20 2khw s ILE 62 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2khw s ILE 62 Cb 0.00 -2.66 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 2khw s ILE 62 CO 0.00 0.56 -0.15 -0.89 0.00 0.00 0.00 174.94 174.46 2khw s THR 63 N -0.34 2.69 -0.10 2.92 2.01 -1.26 -5.11 115.64 116.45 2khw s THR 63 Ca 0.06 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.29 2khw s THR 63 Cb -0.12 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 2khw s THR 63 CO 0.02 0.51 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.03 2khw s PHE 64 N 0.80 2.92 1.02 4.92 0.08 -1.26 -5.10 117.98 121.36 2khw s PHE 64 Ca -0.05 -0.19 -0.18 0.00 0.12 0.00 0.00 56.93 56.63 2khw s PHE 64 Cb -0.15 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 2khw s PHE 64 CO 0.00 0.13 -0.27 -2.30 -0.10 0.00 0.00 175.22 172.68 2khw n PRO 65 N 2.78 -0.59 0.00 0.24 -0.02 -1.26 -4.78 135.00 131.37 2khw n PRO 65 Ca -0.18 -0.15 0.06 0.00 -2.02 0.00 0.00 63.50 61.21 2khw n PRO 65 Cb 0.53 -1.50 0.34 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.28 0.00 -0.01 2.55 2.88 -1.26 -2.10 113.62 115.97 2khw n SER 66 Ca 0.02 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2khw n SER 66 Cb 0.60 -0.10 0.01 0.00 -0.75 0.00 0.00 64.21 63.97 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 -1.10 1.71 -4.39 -3.46 8.00 -1.26 -5.02 116.55 111.03 2khw n ASP 67 Ca 0.08 -1.91 -0.33 0.00 0.71 0.00 0.00 54.79 53.34 2khw n ASP 67 Cb 0.06 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.00 2khw n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2khw s ILE 68 N -0.94 3.20 -0.10 0.53 -1.09 -0.89 -5.11 121.20 116.79 2khw s ILE 68 Ca 0.02 -0.61 -0.08 0.00 -2.23 0.00 0.00 60.65 57.75 2khw s ILE 68 Cb 0.01 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.50 2khw s ILE 68 CO 0.00 0.52 0.17 -0.62 -1.23 0.00 0.00 174.94 173.78 2khw s ASP 69 N 0.36 6.43 0.14 3.58 -1.08 -1.26 -4.69 116.67 120.16 2khw s ASP 69 Ca -0.10 0.51 -0.07 0.00 -0.52 0.00 0.00 52.55 52.38 2khw s ASP 69 Cb -0.16 -2.09 -0.03 0.00 -1.46 0.00 0.00 42.92 39.18 2khw s ASP 69 CO 0.05 0.40 1.39 1.55 0.52 0.00 0.00 175.17 179.07 2khw h PRO 70 N 4.91 0.62 -0.84 4.34 0.13 -1.98 -2.50 132.00 136.67 2khw h PRO 70 Ca -0.54 -0.48 -0.01 0.00 -0.87 0.00 0.00 66.00 64.09 2khw h PRO 70 Cb 1.23 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 2khw h PRO 70 CO 0.59 1.10 0.48 0.37 -0.23 0.00 0.00 178.00 180.31 2khw h GLN 71 N 0.43 1.15 0.00 0.86 4.15 -2.00 -1.53 115.11 118.17 2khw h GLN 71 Ca -0.03 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.18 2khw h GLN 71 Cb 1.32 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 2khw h GLN 71 CO 0.14 0.83 -0.49 0.28 -1.93 0.00 0.00 178.83 177.65 2khw h VAL 72 N 1.16 0.67 0.13 2.39 2.07 -1.99 -3.29 116.25 117.39 2khw h VAL 72 Ca 0.30 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 2khw h VAL 72 Cb -0.00 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2khw h VAL 72 CO -0.05 0.38 -0.06 0.15 0.02 0.00 0.00 177.57 178.00 2khw h PHE 73 N 0.00 -0.17 0.00 1.57 3.57 -0.95 -3.13 116.94 117.83 2khw h PHE 73 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2khw h PHE 73 Cb 1.32 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.12 2khw h PHE 73 CO 0.00 0.30 0.00 1.88 -2.23 0.00 0.00 178.31 178.26 2khw h TYR 74 N -0.81 0.00 -0.00 0.41 0.05 -1.43 0.10 116.97 115.28 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 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 2khw h TYR 74 CO 0.09 0.00 -0.14 0.39 -1.05 0.00 0.00 178.16 177.45 2khw n GLU 75 N -2.42 0.65 -3.21 4.88 1.02 -1.18 -4.85 120.64 115.53 2khw n GLU 75 Ca -0.01 -0.25 -0.31 0.00 -0.02 0.00 0.00 57.16 56.56 2khw n GLU 75 Cb 0.07 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.52 4.05 0.70 -4.62 1.43 0.35 -5.04 118.68 113.03 2khw s LEU 76 Ca 0.27 1.04 -0.16 0.00 -1.03 0.00 0.00 54.13 54.24 2khw s LEU 76 Cb 0.20 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 2khw s LEU 76 CO 0.49 -0.20 0.88 -0.81 0.23 0.00 0.00 176.35 176.94 2khw n PRO 77 N -0.56 0.52 0.04 1.29 -0.04 -1.26 -4.73 135.00 130.26 2khw n PRO 77 Ca 0.01 0.23 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 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 -0.17 -0.04 -0.84 0.54 4.81 -1.96 0.12 114.58 117.04 2khw h GLU 78 Ca -0.47 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.94 2khw h GLU 78 Cb 1.34 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.62 2khw h GLU 78 CO 0.47 0.12 0.37 0.00 -0.73 0.00 0.00 179.01 179.23 2khw h ALA 79 N 0.76 1.26 -0.02 2.92 0.00 -2.00 0.52 119.26 122.71 2khw h ALA 79 Ca -0.00 0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2khw h ALA 79 Cb 0.18 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2khw h ALA 79 CO 0.01 -0.23 -0.78 0.28 0.00 0.00 0.00 179.25 178.53 2khw h VAL 80 N 0.47 1.48 0.17 0.00 2.07 -1.88 -2.92 116.25 115.64 2khw h VAL 80 Ca 0.49 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.55 2khw h VAL 80 Cb 0.81 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2khw h VAL 80 CO -0.45 0.71 -0.08 -0.61 0.02 0.00 0.00 177.57 177.16 2khw h GLN 81 N 0.10 -0.23 -0.31 1.57 4.15 0.26 -1.43 115.11 119.22 2khw h GLN 81 Ca -0.03 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.46 2khw h GLN 81 Cb 1.36 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 29.05 2khw h GLN 81 CO 0.11 -0.13 -0.00 0.87 -1.93 0.00 0.00 178.83 177.75 2khw h LYS 82 N -0.25 0.08 -0.74 1.69 1.79 -0.47 0.40 116.57 119.08 2khw h LYS 82 Ca -0.02 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 2khw h LYS 82 Cb 0.20 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 2khw h LYS 82 CO 0.04 0.06 0.49 0.93 -1.08 0.00 0.00 179.45 179.88 2khw h GLU 83 N 0.09 0.84 -0.07 3.15 5.08 -1.30 0.39 114.58 122.75 2khw h GLU 83 Ca 0.15 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.21 2khw h GLU 83 Cb 0.20 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.27 2khw h GLU 83 CO -0.25 0.56 -0.92 -0.07 -1.00 0.00 0.00 179.01 177.33 2khw h LEU 84 N 0.87 0.93 -0.48 1.33 3.38 -0.23 -2.20 115.31 118.91 2khw h LEU 84 Ca 0.30 -0.68 -0.16 0.00 0.09 0.00 0.00 57.88 57.43 2khw h LEU 84 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2khw h LEU 84 CO -0.09 1.48 -0.47 -0.07 0.09 0.00 0.00 178.44 179.38 2khw h LEU 85 N 0.47 0.79 -1.21 1.67 3.38 -0.43 -1.99 115.31 117.98 2khw h LEU 85 Ca -0.09 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 2khw h LEU 85 Cb 1.56 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 2khw h LEU 85 CO 0.18 1.13 0.06 0.00 0.09 0.00 0.00 178.44 179.91 2khw h ALA 86 N 0.89 1.36 -0.26 1.53 0.00 -0.24 0.10 119.26 122.65 2khw h ALA 86 Ca 0.03 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 2khw h ALA 86 Cb 1.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2khw h ALA 86 CO 0.10 0.45 -0.42 1.49 0.00 0.00 0.00 179.25 180.86 2khw h GLU 87 N 0.59 0.64 0.00 0.00 4.22 -1.15 0.12 114.58 119.00 2khw h GLU 87 Ca 0.13 -0.34 0.00 0.00 0.08 0.00 0.00 59.36 59.23 2khw h GLU 87 Cb 0.28 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2khw h GLU 87 CO 0.00 0.95 0.00 0.91 -2.18 0.00 0.00 179.01 178.69 2khw n TRP 88 N -4.02 0.48 -0.05 0.92 8.01 -0.75 -2.81 117.44 119.22 2khw n TRP 88 Ca -0.02 0.15 -0.22 0.00 -1.31 0.00 0.00 57.50 56.10 2khw n TRP 88 Cb 0.54 -0.74 -0.13 0.00 -2.01 0.00 0.00 31.31 28.97 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 -1.90 0.67 -0.25 -0.99 5.02 0.28 -0.75 118.16 120.24 2khw n LYS 89 Ca 0.05 0.36 -0.05 0.00 -2.02 0.00 0.00 58.31 56.65 2khw n LYS 89 Cb 0.34 -1.69 0.05 0.00 -0.02 0.00 0.00 35.03 33.71 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 -0.36 0.92 0.15 1.97 0.11 -1.03 -2.87 114.38 113.26 2khw h ARG 90 Ca -0.43 -0.06 -0.32 0.00 0.10 0.00 0.00 59.98 59.26 2khw h ARG 90 Cb 1.75 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 32.63 2khw h ARG 90 CO -0.06 0.62 -1.62 0.00 0.10 0.00 0.00 179.97 179.01 2khw h THR 91 N 0.94 1.07 0.00 0.08 1.03 -1.69 -3.52 112.91 110.82 2khw h THR 91 Ca 0.25 -2.68 0.00 0.00 -0.01 0.00 0.00 66.41 63.97 2khw h THR 91 Cb -0.09 2.76 0.00 0.00 -1.07 0.00 0.00 68.15 69.75 2khw h THR 91 CO -0.05 0.83 0.00 0.61 -0.01 0.00 0.00 175.52 176.89