#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 2.38 -0.15 3.15 1.01 -1.26 -5.11 121.20 121.22 2khw s ILE 62 Ca 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.71 2khw s ILE 62 Cb 0.00 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 2khw s ILE 62 CO 0.00 0.56 -0.13 -0.89 0.00 0.00 0.00 174.94 174.48 2khw s THR 63 N -0.08 2.93 -0.08 2.92 2.01 -1.26 -5.11 115.64 116.96 2khw s THR 63 Ca -0.05 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.28 2khw s THR 63 Cb -0.14 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 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 0.62 2.78 1.03 4.92 0.08 -1.26 -5.08 117.98 121.07 2khw s PHE 64 Ca -0.07 -0.32 -0.19 0.00 0.12 0.00 0.00 56.93 56.47 2khw s PHE 64 Cb -0.16 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 2khw s PHE 64 CO 0.03 0.05 -0.34 -2.30 -0.10 0.00 0.00 175.22 172.55 2khw n PRO 65 N 2.79 -0.63 0.00 0.24 -0.02 -1.26 -4.77 135.00 131.34 2khw n PRO 65 Ca -0.18 -0.17 0.07 0.00 -2.02 0.00 0.00 63.50 61.20 2khw n PRO 65 Cb 0.52 -1.48 0.37 0.00 -0.02 0.00 0.00 33.50 32.90 2khw n PRO 65 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2khw n SER 66 N 0.39 0.00 0.00 2.55 3.41 -1.26 -2.13 113.62 116.59 2khw n SER 66 Ca 0.01 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 2khw n SER 66 Cb 0.61 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2khw n SER 66 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2khw n ASP 67 N -1.10 1.49 -4.47 4.04 8.00 -1.26 -5.01 116.55 118.25 2khw n ASP 67 Ca 0.09 -1.61 -0.33 0.00 0.71 0.00 0.00 54.79 53.64 2khw n ASP 67 Cb 0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.04 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 -0.61 3.65 -0.12 0.53 -1.09 -0.90 -5.10 121.20 117.55 2khw s ILE 68 Ca 0.00 -0.45 -0.07 0.00 -2.23 0.00 0.00 60.65 57.90 2khw s ILE 68 Cb 0.00 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 2khw s ILE 68 CO 0.00 0.51 0.13 -0.62 -1.23 0.00 0.00 174.94 173.73 2khw s ASP 69 N 0.29 6.29 0.04 3.58 -1.08 -1.26 -4.65 116.67 119.88 2khw s ASP 69 Ca -0.05 0.43 -0.20 0.00 -0.52 0.00 0.00 52.55 52.21 2khw s ASP 69 Cb -0.15 -2.03 -0.15 0.00 -1.46 0.00 0.00 42.92 39.14 2khw s ASP 69 CO 0.04 0.39 1.32 1.55 0.52 0.00 0.00 175.17 178.99 2khw h PRO 70 N 5.10 0.38 -0.69 4.34 0.13 -1.99 -2.81 132.00 136.47 2khw h PRO 70 Ca -0.54 -0.22 0.15 0.00 -0.87 0.00 0.00 66.00 64.52 2khw h PRO 70 Cb 1.22 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 2khw h PRO 70 CO 0.59 0.80 -0.05 0.37 -0.23 0.00 0.00 178.00 179.48 2khw h GLN 71 N -0.00 0.07 0.00 0.86 4.15 -2.00 0.47 115.11 118.65 2khw h GLN 71 Ca 0.02 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.30 2khw h GLN 71 Cb 0.75 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 2khw h GLN 71 CO 0.05 0.05 -0.62 0.28 -1.93 0.00 0.00 178.83 176.65 2khw h VAL 72 N 0.07 1.13 0.21 2.39 2.07 -2.00 -3.28 116.25 116.84 2khw h VAL 72 Ca 0.36 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 2khw h VAL 72 Cb 0.59 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2khw h VAL 72 CO -0.63 0.61 -0.10 0.15 0.02 0.00 0.00 177.57 177.62 2khw h PHE 73 N 0.00 -0.26 0.00 1.57 3.57 -0.67 -2.73 116.94 118.43 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 1.39 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.22 2khw h PHE 73 CO 0.00 0.04 0.00 1.88 -2.23 0.00 0.00 178.31 178.00 2khw h TYR 74 N -0.56 0.00 -0.00 0.41 0.05 -1.42 0.58 116.97 116.03 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 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2khw h TYR 74 CO 0.02 0.00 -0.04 0.39 -1.05 0.00 0.00 178.16 177.48 2khw n GLU 75 N -2.84 0.47 -3.28 4.88 1.02 -1.03 -4.82 120.64 115.03 2khw n GLU 75 Ca -0.02 -0.06 -0.31 0.00 -0.02 0.00 0.00 57.16 56.76 2khw n GLU 75 Cb 0.11 -1.50 -0.05 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 -2.57 4.08 0.82 -4.62 1.43 0.19 -5.05 118.68 112.96 2khw s LEU 76 Ca 0.28 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 54.18 2khw s LEU 76 Cb 0.20 -3.74 0.05 0.00 0.03 0.00 0.00 46.19 42.73 2khw s LEU 76 CO 0.47 -0.17 0.88 -0.81 0.23 0.00 0.00 176.35 176.95 2khw n PRO 77 N -0.53 0.10 0.12 1.29 -0.04 -1.26 -4.74 135.00 129.94 2khw n PRO 77 Ca 0.01 0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 2khw n PRO 77 Cb 0.53 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.74 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 -0.93 -0.27 -0.86 0.54 4.81 -1.96 0.03 114.58 115.94 2khw h GLU 78 Ca -0.45 0.02 0.21 0.00 -0.13 0.00 0.00 59.36 59.01 2khw h GLU 78 Cb 1.31 0.06 -0.13 0.00 0.63 0.00 0.00 28.75 30.62 2khw h GLU 78 CO 0.43 -0.05 0.30 0.00 -0.73 0.00 0.00 179.01 178.95 2khw h ALA 79 N 0.31 1.29 -0.01 2.92 0.00 -2.00 0.74 119.26 122.50 2khw h ALA 79 Ca -0.03 0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 2khw h ALA 79 Cb 0.34 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2khw h ALA 79 CO 0.05 -0.38 -0.77 0.28 0.00 0.00 0.00 179.25 178.43 2khw h VAL 80 N 0.31 1.49 0.08 0.00 2.07 -1.90 -2.90 116.25 115.42 2khw h VAL 80 Ca 0.53 -2.48 -0.00 0.00 0.82 0.00 0.00 66.70 65.57 2khw h VAL 80 Cb 1.00 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 2khw h VAL 80 CO -0.56 0.72 -0.04 -0.61 0.02 0.00 0.00 177.57 177.09 2khw h GLN 81 N 0.07 -0.11 -0.25 1.57 4.15 0.24 -1.37 115.11 119.41 2khw h GLN 81 Ca -0.02 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.44 2khw h GLN 81 Cb 1.35 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.03 2khw h GLN 81 CO 0.11 -0.06 0.05 0.87 -1.93 0.00 0.00 178.83 177.87 2khw h LYS 82 N -0.12 0.15 -0.68 1.69 1.79 -0.68 -0.09 116.57 118.62 2khw h LYS 82 Ca -0.01 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 2khw h LYS 82 Cb 0.10 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 2khw h LYS 82 CO 0.02 0.10 0.41 0.93 -1.08 0.00 0.00 179.45 179.83 2khw h GLU 83 N 0.15 0.77 -0.31 3.15 5.08 -1.29 0.42 114.58 122.55 2khw h GLU 83 Ca 0.11 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 2khw h GLU 83 Cb 0.11 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2khw h GLU 83 CO -0.15 0.51 -0.36 -0.07 -1.00 0.00 0.00 179.01 177.94 2khw h LEU 84 N 0.80 0.75 -0.50 1.33 3.38 -0.83 -2.41 115.31 117.83 2khw h LEU 84 Ca 0.28 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2khw h LEU 84 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2khw h LEU 84 CO -0.13 1.04 -0.49 -0.07 0.09 0.00 0.00 178.44 178.88 2khw h LEU 85 N 0.59 0.72 -1.72 1.67 3.38 -0.42 -2.16 115.31 117.37 2khw h LEU 85 Ca 0.06 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2khw h LEU 85 Cb 0.89 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2khw h LEU 85 CO 0.08 1.09 0.11 0.00 0.09 0.00 0.00 178.44 179.81 2khw h ALA 86 N 0.93 1.79 0.00 1.53 0.00 0.02 0.49 119.26 124.03 2khw h ALA 86 Ca 0.02 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 2khw h ALA 86 Cb 1.04 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.76 2khw h ALA 86 CO 0.10 0.18 -1.03 1.49 0.00 0.00 0.00 179.25 179.99 2khw h GLU 87 N 0.29 0.63 0.00 0.00 4.81 -1.12 0.36 114.58 119.55 2khw h GLU 87 Ca 0.08 -0.69 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2khw h GLU 87 Cb 0.03 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2khw h GLU 87 CO -0.01 1.28 0.00 -1.49 -0.73 0.00 0.00 179.01 178.06 2khw h TRP 88 N 0.35 0.00 0.04 0.92 6.55 -0.69 -2.91 115.95 120.21 2khw h TRP 88 Ca -0.12 0.00 -0.33 0.00 0.95 0.00 0.00 58.89 59.39 2khw h TRP 88 Cb 1.68 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 29.94 2khw h TRP 88 CO 0.09 0.00 -1.81 1.63 -1.05 0.00 0.00 178.44 177.30 2khw n LYS 89 N -2.75 0.64 -0.36 0.49 5.02 0.17 0.33 118.16 121.69 2khw n LYS 89 Ca 0.03 0.39 0.08 0.00 -2.02 0.00 0.00 58.31 56.80 2khw n LYS 89 Cb 0.41 -1.67 0.26 0.00 -0.02 0.00 0.00 35.03 34.01 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 -0.58 0.91 0.05 1.97 0.11 -0.34 -2.43 114.38 114.08 2khw h ARG 90 Ca -0.45 -0.05 -0.35 0.00 0.10 0.00 0.00 59.98 59.22 2khw h ARG 90 Cb 1.63 -0.21 -0.04 0.00 1.11 0.00 0.00 29.97 32.47 2khw h ARG 90 CO -0.15 0.60 -2.08 -2.37 0.10 0.00 0.00 179.97 176.08 2khw n THR 91 N -4.66 1.63 0.00 0.08 5.66 -1.10 -5.09 114.28 110.80 2khw n THR 91 Ca 0.20 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2khw n THR 91 Cb 0.41 -1.35 0.00 0.00 -1.55 0.00 0.00 70.33 67.84 2khw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63