#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 4.06 -0.18 -0.18 1.01 -1.26 -5.09 121.20 119.56 2khw s ILE 62 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 2khw s ILE 62 Cb 0.00 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 2khw s ILE 62 CO 0.00 0.52 -0.09 -0.89 0.00 0.00 0.00 174.94 174.48 2khw s THR 63 N 0.06 3.18 -0.09 2.92 2.01 -1.26 -5.11 115.64 117.35 2khw s THR 63 Ca 0.01 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.43 2khw s THR 63 Cb -0.13 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2khw s THR 63 CO 0.02 0.48 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.98 2khw s PHE 64 N 0.98 2.89 1.02 4.92 0.08 -1.26 -5.09 117.98 121.52 2khw s PHE 64 Ca -0.01 -0.16 -0.17 0.00 0.12 0.00 0.00 56.93 56.70 2khw s PHE 64 Cb -0.15 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.53 2khw s PHE 64 CO -0.01 0.16 -0.22 -2.30 -0.10 0.00 0.00 175.22 172.76 2khw n PRO 65 N 2.66 -0.59 0.00 0.24 -0.02 -1.26 -4.79 135.00 131.24 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 -1.53 0.34 0.00 -0.02 0.00 0.00 33.50 32.82 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 0.16 0.00 0.00 2.55 7.64 -1.26 -2.20 113.62 120.52 2khw n SER 66 Ca 0.02 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2khw n SER 66 Cb 0.60 -0.10 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 -1.10 1.52 -4.49 6.43 9.92 -1.26 -5.01 116.55 122.55 2khw n ASP 67 Ca 0.08 -1.67 -0.34 0.00 -0.53 0.00 0.00 54.79 52.33 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 -0.67 3.95 -0.41 0.53 -1.09 -0.93 -5.08 121.20 117.51 2khw s ILE 68 Ca 0.00 -0.33 -0.14 0.00 -2.23 0.00 0.00 60.65 57.95 2khw s ILE 68 Cb 0.00 -2.75 0.03 0.00 -1.58 0.00 0.00 42.46 38.16 2khw s ILE 68 CO 0.00 0.48 0.29 -0.62 -1.23 0.00 0.00 174.94 173.86 2khw s ASP 69 N 0.50 6.05 0.27 3.58 -1.08 -1.26 -4.71 116.67 120.01 2khw s ASP 69 Ca -0.02 -0.95 -0.01 0.00 -0.52 0.00 0.00 52.55 51.04 2khw s ASP 69 Cb -0.14 -2.14 0.59 0.00 -1.46 0.00 0.00 42.92 39.77 2khw s ASP 69 CO 0.02 -0.45 1.67 -0.65 0.52 0.00 0.00 175.17 176.28 2khw h PRO 70 N 8.61 0.24 -0.60 4.34 0.11 -1.98 -1.15 132.00 141.57 2khw h PRO 70 Ca -0.27 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.95 2khw h PRO 70 Cb 1.12 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.07 2khw h PRO 70 CO 0.73 0.16 0.00 0.37 -0.21 0.00 0.00 178.00 179.05 2khw h GLN 71 N 0.25 0.12 0.00 1.05 4.15 -2.00 0.41 115.11 119.08 2khw h GLN 71 Ca 0.49 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.83 2khw h GLN 71 Cb 0.91 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 2khw h GLN 71 CO -0.59 0.08 -0.35 0.28 -1.93 0.00 0.00 178.83 176.32 2khw h VAL 72 N 0.12 0.74 0.18 2.39 2.07 -1.67 -3.22 116.25 116.86 2khw h VAL 72 Ca 0.31 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 2khw h VAL 72 Cb 0.50 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2khw h VAL 72 CO -0.51 0.34 -0.08 0.15 0.02 0.00 0.00 177.57 177.48 2khw h PHE 73 N 0.00 -0.22 0.00 1.57 3.57 0.56 -2.97 116.94 119.45 2khw h PHE 73 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2khw h PHE 73 Cb 0.98 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2khw h PHE 73 CO 0.00 0.15 0.00 1.88 -2.23 0.00 0.00 178.31 178.11 2khw h TYR 74 N -0.63 0.00 -0.00 0.41 0.05 -0.98 0.05 116.97 115.86 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 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2khw h TYR 74 CO 0.05 0.00 -0.09 0.39 -1.05 0.00 0.00 178.16 177.46 2khw n GLU 75 N -2.90 0.55 -3.26 4.88 1.02 -1.13 -4.84 120.64 114.97 2khw n GLU 75 Ca -0.02 -0.14 -0.31 0.00 -0.02 0.00 0.00 57.16 56.67 2khw n GLU 75 Cb 0.12 -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 -2.54 4.07 0.71 -4.62 1.43 0.00 -5.04 118.68 112.68 2khw s LEU 76 Ca 0.28 0.95 -0.16 0.00 -1.03 0.00 0.00 54.13 54.17 2khw s LEU 76 Cb 0.20 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 2khw s LEU 76 CO 0.48 -0.18 0.82 -0.81 0.23 0.00 0.00 176.35 176.89 2khw n PRO 77 N -0.57 0.46 0.06 1.29 -0.04 -1.26 -4.71 135.00 130.23 2khw n PRO 77 Ca 0.01 0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.55 2khw n PRO 77 Cb 0.53 -2.08 -0.08 0.00 -0.04 0.00 0.00 33.50 31.83 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 -0.23 -0.10 -0.83 0.54 4.81 -1.96 0.12 114.58 116.93 2khw h GLU 78 Ca -0.47 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 58.96 2khw h GLU 78 Cb 1.34 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 30.63 2khw h GLU 78 CO 0.46 0.07 0.31 0.00 -0.73 0.00 0.00 179.01 179.11 2khw h ALA 79 N 0.66 1.23 -0.02 2.92 0.00 -2.00 0.49 119.26 122.54 2khw h ALA 79 Ca -0.01 0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 2khw h ALA 79 Cb 0.22 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2khw h ALA 79 CO 0.02 -0.32 -0.82 0.28 0.00 0.00 0.00 179.25 178.40 2khw h VAL 80 N 0.36 1.44 -0.05 0.00 2.07 -1.88 -2.81 116.25 115.39 2khw h VAL 80 Ca 0.50 -2.42 0.01 0.00 0.82 0.00 0.00 66.70 65.61 2khw h VAL 80 Cb 0.89 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2khw h VAL 80 CO -0.51 0.71 -0.01 -0.61 0.02 0.00 0.00 177.57 177.17 2khw h GLN 81 N 0.16 0.00 -0.08 1.57 4.15 0.26 -1.44 115.11 119.73 2khw h GLN 81 Ca -0.04 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.39 2khw h GLN 81 Cb 1.42 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 2khw h GLN 81 CO 0.13 0.00 0.01 0.87 -1.93 0.00 0.00 178.83 177.91 2khw h LYS 82 N 0.00 0.04 -0.82 1.69 1.79 -0.49 -0.60 116.57 118.18 2khw h LYS 82 Ca 0.03 -0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.57 2khw h LYS 82 Cb 0.04 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.61 2khw h LYS 82 CO -0.05 0.02 0.49 0.93 -1.08 0.00 0.00 179.45 179.76 2khw h GLU 83 N 0.04 0.83 -0.24 3.15 5.08 -1.23 0.31 114.58 122.51 2khw h GLU 83 Ca 0.04 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2khw h GLU 83 Cb 0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2khw h GLU 83 CO -0.06 0.55 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.96 2khw h LEU 84 N 0.85 0.70 -0.45 1.33 3.38 -0.90 -2.48 115.31 117.75 2khw h LEU 84 Ca 0.38 -0.34 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 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 -0.21 1.06 -0.47 -0.07 0.09 0.00 0.00 178.44 178.84 2khw h LEU 85 N 0.51 0.83 -1.59 1.67 3.38 -0.26 -2.08 115.31 117.77 2khw h LEU 85 Ca 0.03 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2khw h LEU 85 Cb 1.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2khw h LEU 85 CO 0.10 1.17 0.14 0.00 0.09 0.00 0.00 178.44 179.94 2khw h ALA 86 N 0.86 1.68 -0.15 1.53 0.00 -0.30 0.38 119.26 123.26 2khw h ALA 86 Ca 0.03 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2khw h ALA 86 Cb 1.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2khw h ALA 86 CO 0.10 0.26 -0.70 1.49 0.00 0.00 0.00 179.25 180.41 2khw h GLU 87 N 0.42 0.64 0.00 0.00 4.81 -1.15 0.15 114.58 119.45 2khw h GLU 87 Ca 0.11 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2khw h GLU 87 Cb 0.05 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2khw h GLU 87 CO -0.01 1.11 0.00 0.91 -0.73 0.00 0.00 179.01 180.28 2khw n TRP 88 N -3.92 0.70 -0.09 0.92 8.01 -0.55 -2.85 117.44 119.66 2khw n TRP 88 Ca -0.05 0.21 -0.23 0.00 -1.31 0.00 0.00 57.50 56.12 2khw n TRP 88 Cb 0.70 -0.85 -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 -2.08 0.62 -0.35 -0.99 5.02 0.12 -0.48 118.16 120.03 2khw n LYS 89 Ca 0.05 0.42 0.05 0.00 -2.02 0.00 0.00 58.31 56.82 2khw n LYS 89 Cb 0.37 -1.67 0.21 0.00 -0.02 0.00 0.00 35.03 33.92 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 -0.71 0.94 0.10 1.97 0.11 -0.77 -2.31 114.38 113.71 2khw h ARG 90 Ca -0.45 -0.06 -0.33 0.00 0.10 0.00 0.00 59.98 59.24 2khw h ARG 90 Cb 1.56 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 32.41 2khw h ARG 90 CO -0.18 0.62 -1.82 0.00 0.10 0.00 0.00 179.97 178.69 2khw h THR 91 N 0.97 0.80 0.00 0.08 1.03 -1.69 -3.51 112.91 110.59 2khw h THR 91 Ca 0.46 -2.53 0.00 0.00 -0.01 0.00 0.00 66.41 64.34 2khw h THR 91 Cb 0.41 2.55 0.00 0.00 -1.07 0.00 0.00 68.15 70.04 2khw h THR 91 CO -0.25 0.78 0.00 0.61 -0.01 0.00 0.00 175.52 176.65