#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 3.28 -0.14 0.58 1.01 -1.26 -5.10 121.20 119.57 2khw s ILE 62 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2khw s ILE 62 Cb 0.00 -2.38 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 2khw s ILE 62 CO 0.00 0.53 -0.16 -0.89 0.00 0.00 0.00 174.94 174.42 2khw s THR 63 N 0.10 2.64 -0.10 2.92 2.01 -1.26 -5.11 115.64 116.84 2khw s THR 63 Ca -0.05 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 2khw s THR 63 Cb -0.14 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 2khw s THR 63 CO 0.04 0.52 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.05 2khw s PHE 64 N 0.69 2.89 1.02 4.92 0.08 -1.26 -5.10 117.98 121.22 2khw s PHE 64 Ca -0.08 -0.24 -0.18 0.00 0.12 0.00 0.00 56.93 56.55 2khw s PHE 64 Cb -0.16 -1.79 -0.01 0.00 -0.57 0.00 0.00 43.02 40.49 2khw s PHE 64 CO 0.02 0.09 -0.26 -2.30 -0.10 0.00 0.00 175.22 172.66 2khw n PRO 65 N 2.86 -0.62 0.00 0.24 -0.02 -1.26 -4.78 135.00 131.43 2khw n PRO 65 Ca -0.18 -0.16 0.06 0.00 -2.02 0.00 0.00 63.50 61.20 2khw n PRO 65 Cb 0.53 -1.51 0.32 0.00 -0.02 0.00 0.00 33.50 32.81 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 0.22 0.00 0.00 2.55 3.41 -1.26 -2.12 113.62 116.41 2khw n SER 66 Ca 0.02 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2khw n SER 66 Cb 0.60 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.14 1.63 -4.44 4.04 8.00 -1.26 -5.01 116.55 118.37 2khw n ASP 67 Ca 0.07 -1.74 -0.33 0.00 0.71 0.00 0.00 54.79 53.50 2khw n ASP 67 Cb 0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.74 3.56 -0.12 0.53 -1.09 -0.90 -5.10 121.20 117.33 2khw s ILE 68 Ca 0.00 -0.48 -0.07 0.00 -2.23 0.00 0.00 60.65 57.87 2khw s ILE 68 Cb 0.00 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.30 2khw s ILE 68 CO 0.00 0.50 0.15 -0.62 -1.23 0.00 0.00 174.94 173.74 2khw s ASP 69 N 0.42 6.39 0.00 3.58 -1.08 -1.26 -4.67 116.67 120.05 2khw s ASP 69 Ca -0.06 0.47 -0.23 0.00 -0.52 0.00 0.00 52.55 52.21 2khw s ASP 69 Cb -0.15 -2.07 -0.18 0.00 -1.46 0.00 0.00 42.92 39.05 2khw s ASP 69 CO 0.04 0.40 1.24 1.55 0.52 0.00 0.00 175.17 178.91 2khw h PRO 70 N 5.05 0.23 -0.82 4.34 0.13 -1.98 -2.27 132.00 136.68 2khw h PRO 70 Ca -0.54 -0.15 0.19 0.00 -0.87 0.00 0.00 66.00 64.63 2khw h PRO 70 Cb 1.23 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 2khw h PRO 70 CO 0.59 0.74 0.24 0.37 -0.23 0.00 0.00 178.00 179.71 2khw h GLN 71 N -0.25 0.28 0.06 0.86 4.15 -2.00 0.17 115.11 118.38 2khw h GLN 71 Ca 0.00 -0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.16 2khw h GLN 71 Cb 0.73 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 2khw h GLN 71 CO 0.03 0.18 -1.17 0.28 -1.93 0.00 0.00 178.83 176.23 2khw h VAL 72 N 0.29 1.55 0.40 2.39 2.07 -1.99 -3.29 116.25 117.66 2khw h VAL 72 Ca 0.49 -3.21 -0.02 0.00 0.82 0.00 0.00 66.70 64.78 2khw h VAL 72 Cb 0.90 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 2khw h VAL 72 CO -0.56 0.91 -0.19 0.15 0.02 0.00 0.00 177.57 177.90 2khw h PHE 73 N 0.03 -0.50 0.00 1.57 3.57 -0.40 -1.93 116.94 119.29 2khw h PHE 73 Ca -0.09 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2khw h PHE 73 Cb 1.88 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.78 2khw h PHE 73 CO 0.03 -0.28 0.00 1.88 -2.23 0.00 0.00 178.31 177.71 2khw h TYR 74 N -0.59 0.00 -0.00 0.41 0.05 -1.35 0.81 116.97 116.30 2khw h TYR 74 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2khw h TYR 74 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2khw h TYR 74 CO -0.04 0.00 -0.11 0.39 -1.05 0.00 0.00 178.16 177.36 2khw n GLU 75 N -2.43 0.48 -3.30 4.88 1.02 -0.73 -4.84 120.64 115.72 2khw n GLU 75 Ca -0.01 -0.13 -0.31 0.00 -0.02 0.00 0.00 57.16 56.69 2khw n GLU 75 Cb 0.07 -1.50 -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 -2.61 4.09 0.75 -4.62 1.43 0.28 -5.05 118.68 112.94 2khw s LEU 76 Ca 0.25 0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 54.11 2khw s LEU 76 Cb 0.20 -3.71 -0.00 0.00 0.03 0.00 0.00 46.19 42.71 2khw s LEU 76 CO 0.50 -0.16 0.79 -0.81 0.23 0.00 0.00 176.35 176.90 2khw n PRO 77 N -0.53 0.33 0.00 1.29 -0.04 -1.26 -4.71 135.00 130.08 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 -2.07 -0.07 0.00 -0.04 0.00 0.00 33.50 31.85 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 -0.47 0.09 -0.76 0.54 4.81 -1.96 0.78 114.58 117.61 2khw h GLU 78 Ca -0.46 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 58.91 2khw h GLU 78 Cb 1.33 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.59 2khw h GLU 78 CO 0.44 0.20 0.26 0.00 -0.73 0.00 0.00 179.01 179.18 2khw h ALA 79 N 0.88 1.06 -0.02 2.92 0.00 -2.00 0.35 119.26 122.45 2khw h ALA 79 Ca 0.02 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 2khw h ALA 79 Cb 0.14 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2khw h ALA 79 CO -0.00 -0.28 -0.79 0.28 0.00 0.00 0.00 179.25 178.46 2khw h VAL 80 N 0.37 1.47 0.14 0.00 2.07 -1.88 -2.83 116.25 115.58 2khw h VAL 80 Ca 0.43 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.51 2khw h VAL 80 Cb 0.71 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 2khw h VAL 80 CO -0.46 0.71 -0.10 -0.61 0.02 0.00 0.00 177.57 177.13 2khw h GLN 81 N 0.11 -0.23 -0.23 1.57 4.15 0.20 -1.57 115.11 119.11 2khw h GLN 81 Ca -0.03 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.44 2khw h GLN 81 Cb 1.38 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 29.09 2khw h GLN 81 CO 0.12 -0.15 0.04 0.87 -1.93 0.00 0.00 178.83 177.77 2khw h LYS 82 N -0.24 0.12 -0.78 1.69 1.79 -0.49 -0.65 116.57 118.00 2khw h LYS 82 Ca -0.01 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.53 2khw h LYS 82 Cb 0.21 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 2khw h LYS 82 CO 0.00 0.08 0.46 0.93 -1.08 0.00 0.00 179.45 179.84 2khw h GLU 83 N 0.12 0.79 -0.30 3.15 5.08 -1.24 0.41 114.58 122.60 2khw h GLU 83 Ca 0.10 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 2khw h GLU 83 Cb 0.11 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2khw h GLU 83 CO -0.14 0.52 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.89 2khw h LEU 84 N 0.81 0.80 -0.37 1.33 3.38 -0.82 -2.33 115.31 118.11 2khw h LEU 84 Ca 0.35 -0.37 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2khw h LEU 84 Cb 0.23 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2khw h LEU 84 CO -0.20 1.11 -0.41 -0.07 0.09 0.00 0.00 178.44 178.97 2khw h LEU 85 N 0.60 1.00 -1.75 1.67 3.38 -0.36 -2.40 115.31 117.45 2khw h LEU 85 Ca 0.04 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.55 2khw h LEU 85 Cb 0.98 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2khw h LEU 85 CO 0.09 1.27 0.18 0.00 0.09 0.00 0.00 178.44 180.08 2khw h ALA 86 N 0.76 1.85 -0.33 1.53 0.00 -0.10 0.33 119.26 123.29 2khw h ALA 86 Ca 0.05 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2khw h ALA 86 Cb 1.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2khw h ALA 86 CO 0.10 0.13 -0.46 1.49 0.00 0.00 0.00 179.25 180.51 2khw h GLU 87 N 0.34 0.90 0.00 0.00 4.81 -1.08 -0.20 114.58 119.34 2khw h GLU 87 Ca 0.11 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2khw h GLU 87 Cb 0.01 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2khw h GLU 87 CO -0.02 1.17 0.00 0.91 -0.73 0.00 0.00 179.01 180.34 2khw n TRP 88 N -4.05 0.44 -0.09 0.92 8.01 -0.48 -2.83 117.44 119.37 2khw n TRP 88 Ca -0.03 0.15 -0.23 0.00 -1.31 0.00 0.00 57.50 56.07 2khw n TRP 88 Cb 0.58 -0.74 -0.12 0.00 -2.01 0.00 0.00 31.31 29.03 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 -1.88 0.62 -0.35 -0.99 5.02 -0.02 -0.27 118.16 120.30 2khw n LYS 89 Ca 0.05 0.40 0.05 0.00 -2.02 0.00 0.00 58.31 56.78 2khw n LYS 89 Cb 0.30 -1.66 0.20 0.00 -0.02 0.00 0.00 35.03 33.85 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 -0.66 0.99 0.10 1.97 0.11 -1.08 -2.36 114.38 113.46 2khw h ARG 90 Ca -0.46 -0.06 -0.34 0.00 0.10 0.00 0.00 59.98 59.22 2khw h ARG 90 Cb 1.60 -0.22 -0.02 0.00 1.11 0.00 0.00 29.97 32.43 2khw h ARG 90 CO -0.18 0.66 -1.84 0.00 0.10 0.00 0.00 179.97 178.71 2khw h THR 91 N 1.02 0.78 0.00 0.08 1.03 -1.69 -3.52 112.91 110.62 2khw h THR 91 Ca 0.46 -2.51 0.00 0.00 -0.01 0.00 0.00 66.41 64.35 2khw h THR 91 Cb 0.35 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 69.98 2khw h THR 91 CO -0.23 0.78 0.00 0.61 -0.01 0.00 0.00 175.52 176.68