#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 3.67 -0.15 0.58 1.01 -1.26 -5.10 121.20 119.96 2khw s ILE 62 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 2khw s ILE 62 Cb 0.00 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 2khw s ILE 62 CO 0.00 0.52 -0.11 -0.89 0.00 0.00 0.00 174.94 174.46 2khw s THR 63 N 0.16 3.13 -0.08 2.92 2.01 -1.26 -5.11 115.64 117.41 2khw s THR 63 Ca -0.03 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.37 2khw s THR 63 Cb -0.14 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 2khw s THR 63 CO 0.03 0.51 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.97 2khw s PHE 64 N 0.57 2.75 1.02 4.92 0.08 -1.26 -5.09 117.98 120.98 2khw s PHE 64 Ca -0.07 -0.34 -0.18 0.00 0.12 0.00 0.00 56.93 56.46 2khw s PHE 64 Cb -0.15 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 2khw s PHE 64 CO 0.03 0.04 -0.25 -2.30 -0.10 0.00 0.00 175.22 172.65 2khw n PRO 65 N 2.77 -0.65 0.00 0.24 -0.02 -1.26 -4.78 135.00 131.30 2khw n PRO 65 Ca -0.18 -0.17 0.06 0.00 -2.02 0.00 0.00 63.50 61.20 2khw n PRO 65 Cb 0.52 -1.52 0.35 0.00 -0.02 0.00 0.00 33.50 32.83 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 0.13 0.00 0.00 2.55 7.64 -1.26 -2.15 113.62 120.53 2khw n SER 66 Ca 0.02 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2khw n SER 66 Cb 0.60 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 -1.11 1.50 -4.49 6.43 9.92 -1.26 -5.01 116.55 122.54 2khw n ASP 67 Ca 0.08 -1.63 -0.34 0.00 -0.53 0.00 0.00 54.79 52.37 2khw n ASP 67 Cb 0.06 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.42 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 -0.63 3.90 -0.11 0.53 -1.09 -0.91 -5.10 121.20 117.79 2khw s ILE 68 Ca 0.00 -0.35 -0.06 0.00 -2.23 0.00 0.00 60.65 58.01 2khw s ILE 68 Cb 0.00 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 2khw s ILE 68 CO 0.00 0.48 0.12 -0.62 -1.23 0.00 0.00 174.94 173.69 2khw s ASP 69 N 0.51 6.21 -0.02 3.58 -1.08 -1.26 -4.69 116.67 119.92 2khw s ASP 69 Ca -0.03 0.41 -0.24 0.00 -0.52 0.00 0.00 52.55 52.17 2khw s ASP 69 Cb -0.14 -1.97 -0.20 0.00 -1.46 0.00 0.00 42.92 39.15 2khw s ASP 69 CO 0.03 0.39 1.23 1.55 0.52 0.00 0.00 175.17 178.89 2khw h PRO 70 N 4.92 0.11 -0.76 4.34 0.13 -1.99 -2.54 132.00 136.22 2khw h PRO 70 Ca -0.54 -0.07 0.18 0.00 -0.87 0.00 0.00 66.00 64.70 2khw h PRO 70 Cb 1.22 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 2khw h PRO 70 CO 0.58 0.64 0.07 0.37 -0.23 0.00 0.00 178.00 179.43 2khw h GLN 71 N -0.40 0.15 0.00 0.86 4.15 -2.00 0.26 115.11 118.13 2khw h GLN 71 Ca 0.00 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 2khw h GLN 71 Cb 0.63 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2khw h GLN 71 CO 0.02 0.10 -0.40 0.28 -1.93 0.00 0.00 178.83 176.89 2khw h VAL 72 N 0.15 0.62 0.20 2.39 2.07 -2.00 -3.27 116.25 116.40 2khw h VAL 72 Ca 0.43 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 2khw h VAL 72 Cb 0.76 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2khw h VAL 72 CO -0.62 0.35 -0.09 0.15 0.02 0.00 0.00 177.57 177.38 2khw h PHE 73 N 0.00 -0.24 0.00 1.57 3.57 -0.12 -3.15 116.94 118.57 2khw h PHE 73 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2khw h PHE 73 Cb 1.29 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.11 2khw h PHE 73 CO 0.00 0.16 0.00 1.88 -2.23 0.00 0.00 178.31 178.12 2khw h TYR 74 N -0.87 0.00 -0.00 0.41 0.05 -1.18 0.20 116.97 115.58 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 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2khw h TYR 74 CO 0.07 0.00 -0.01 0.39 -1.05 0.00 0.00 178.16 177.57 2khw n GLU 75 N -2.94 0.59 -3.37 4.88 1.02 -1.19 -4.81 120.64 114.82 2khw n GLU 75 Ca -0.02 -0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.80 2khw n GLU 75 Cb 0.08 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.42 4.10 0.76 -4.62 1.43 0.71 -5.05 118.68 113.59 2khw s LEU 76 Ca 0.34 0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 54.08 2khw s LEU 76 Cb 0.21 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.86 2khw s LEU 76 CO 0.44 -0.14 0.94 -0.81 0.23 0.00 0.00 176.35 177.01 2khw n PRO 77 N -0.59 0.35 -0.04 1.29 -0.04 -1.26 -4.76 135.00 129.96 2khw n PRO 77 Ca -0.01 0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.52 2khw n PRO 77 Cb 0.53 -2.21 -0.05 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 -0.52 0.23 -0.83 0.54 4.57 -1.96 -0.29 114.58 116.32 2khw h GLU 78 Ca -0.47 -0.04 0.16 0.00 -1.18 0.00 0.00 59.36 57.83 2khw h GLU 78 Cb 1.32 -0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 29.78 2khw h GLU 78 CO 0.45 0.32 0.38 0.00 -1.18 0.00 0.00 179.01 178.99 2khw h ALA 79 N 0.90 1.23 -0.01 2.92 0.00 -2.00 0.36 119.26 122.66 2khw h ALA 79 Ca 0.05 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 2khw h ALA 79 Cb 0.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2khw h ALA 79 CO -0.00 -0.17 -0.79 0.28 0.00 0.00 0.00 179.25 178.56 2khw h VAL 80 N 0.53 1.49 0.05 0.00 2.07 -1.90 -2.85 116.25 115.64 2khw h VAL 80 Ca 0.46 -2.50 -0.00 0.00 0.82 0.00 0.00 66.70 65.48 2khw h VAL 80 Cb 0.71 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2khw h VAL 80 CO -0.40 0.72 -0.03 -0.61 0.02 0.00 0.00 177.57 177.27 2khw h GLN 81 N 0.09 -0.07 -0.25 1.57 4.15 0.14 -1.33 115.11 119.40 2khw h GLN 81 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.42 2khw h GLN 81 Cb 1.39 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.07 2khw h GLN 81 CO 0.12 -0.04 0.11 0.87 -1.93 0.00 0.00 178.83 177.95 2khw h LYS 82 N -0.07 0.23 -0.82 1.69 1.79 -0.52 -0.40 116.57 118.46 2khw h LYS 82 Ca -0.00 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.48 2khw h LYS 82 Cb 0.06 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.61 2khw h LYS 82 CO 0.01 0.15 0.53 0.93 -1.08 0.00 0.00 179.45 179.98 2khw h GLU 83 N 0.23 1.01 -0.22 3.15 5.08 -1.25 0.33 114.58 122.91 2khw h GLU 83 Ca 0.11 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 2khw h GLU 83 Cb 0.05 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2khw h GLU 83 CO -0.09 0.67 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.97 2khw h LEU 84 N 1.04 0.73 -0.51 1.33 3.38 -0.88 -2.41 115.31 117.99 2khw h LEU 84 Ca 0.32 -0.38 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 2khw h LEU 84 Cb -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2khw h LEU 84 CO -0.11 1.12 -0.46 -0.07 0.09 0.00 0.00 178.44 179.02 2khw h LEU 85 N 0.50 0.76 -1.53 1.67 3.38 -0.57 -2.30 115.31 117.23 2khw h LEU 85 Ca 0.01 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2khw h LEU 85 Cb 1.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2khw h LEU 85 CO 0.11 1.10 0.04 0.00 0.09 0.00 0.00 178.44 179.78 2khw h ALA 86 N 0.93 1.62 -0.28 1.53 0.00 -0.23 0.64 119.26 123.47 2khw h ALA 86 Ca 0.03 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 2khw h ALA 86 Cb 1.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2khw h ALA 86 CO 0.10 0.29 -0.54 1.49 0.00 0.00 0.00 179.25 180.58 2khw h GLU 87 N 0.34 0.86 0.00 0.00 4.81 -1.12 -0.23 114.58 119.24 2khw h GLU 87 Ca 0.08 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2khw h GLU 87 Cb 0.17 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2khw h GLU 87 CO -0.00 1.18 0.00 0.91 -0.73 0.00 0.00 179.01 180.37 2khw n TRP 88 N -4.03 0.40 -0.09 0.92 8.01 -0.75 -2.96 117.44 118.94 2khw n TRP 88 Ca -0.05 0.13 -0.23 0.00 -1.31 0.00 0.00 57.50 56.05 2khw n TRP 88 Cb 0.62 -0.72 -0.12 0.00 -2.01 0.00 0.00 31.31 29.09 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 -1.84 0.61 -0.33 -0.99 5.02 0.14 0.40 118.16 121.17 2khw n LYS 89 Ca 0.05 0.44 0.10 0.00 -2.02 0.00 0.00 58.31 56.88 2khw n LYS 89 Cb 0.29 -1.68 0.31 0.00 -0.02 0.00 0.00 35.03 33.93 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 -0.77 0.80 0.07 1.97 0.11 -1.08 -2.12 114.38 113.36 2khw h ARG 90 Ca -0.44 -0.05 -0.35 0.00 0.10 0.00 0.00 59.98 59.24 2khw h ARG 90 Cb 1.52 -0.18 -0.03 0.00 1.11 0.00 0.00 29.97 32.38 2khw h ARG 90 CO -0.20 0.53 -2.00 -2.37 0.10 0.00 0.00 179.97 176.03 2khw n THR 91 N -4.62 1.68 0.00 0.08 5.66 -1.16 -5.12 114.28 110.80 2khw n THR 91 Ca 0.19 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2khw n THR 91 Cb 0.45 -1.44 0.00 0.00 -1.55 0.00 0.00 70.33 67.79 2khw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63