#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 3.20 -0.12 3.15 1.01 -1.26 -5.11 121.20 122.08 2khw s ILE 62 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.04 2khw s ILE 62 Cb 0.00 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 2khw s ILE 62 CO 0.00 0.54 -0.18 -0.89 0.00 0.00 0.00 174.94 174.41 2khw s THR 63 N 0.02 2.58 -0.08 2.92 2.01 -1.26 -5.12 115.64 116.71 2khw s THR 63 Ca -0.03 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.16 2khw s THR 63 Cb -0.14 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 2khw s THR 63 CO 0.04 0.54 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.01 2khw s PHE 64 N 0.37 2.75 1.02 4.92 0.08 -1.26 -5.11 117.98 120.75 2khw s PHE 64 Ca -0.14 -0.35 -0.18 0.00 0.12 0.00 0.00 56.93 56.38 2khw s PHE 64 Cb -0.17 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 2khw s PHE 64 CO 0.07 0.03 -0.21 -2.30 -0.10 0.00 0.00 175.22 172.70 2khw n PRO 65 N 2.80 -0.65 0.00 0.24 -0.02 -1.26 -4.79 135.00 131.32 2khw n PRO 65 Ca -0.18 -0.17 0.06 0.00 -2.02 0.00 0.00 63.50 61.19 2khw n PRO 65 Cb 0.52 -1.54 0.34 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 0.05 0.00 0.00 2.55 3.41 -1.26 -2.22 113.62 116.15 2khw n SER 66 Ca 0.02 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2khw n SER 66 Cb 0.60 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.09 1.55 -4.46 4.04 9.92 -1.26 -5.02 116.55 120.23 2khw n ASP 67 Ca 0.08 -1.74 -0.34 0.00 -0.53 0.00 0.00 54.79 52.27 2khw n ASP 67 Cb 0.06 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.41 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 -0.74 3.71 -0.04 0.53 -1.09 -0.94 -5.10 121.20 117.53 2khw s ILE 68 Ca 0.00 -0.42 -0.15 0.00 -2.23 0.00 0.00 60.65 57.85 2khw s ILE 68 Cb 0.00 -2.62 -0.05 0.00 -1.58 0.00 0.00 42.46 38.21 2khw s ILE 68 CO 0.00 0.49 0.41 -0.62 -1.23 0.00 0.00 174.94 173.99 2khw s ASP 69 N 0.46 6.74 0.22 3.58 -1.08 -1.26 -4.71 116.67 120.63 2khw s ASP 69 Ca -0.05 0.88 0.03 0.00 -0.52 0.00 0.00 52.55 52.90 2khw s ASP 69 Cb -0.15 -2.25 0.21 0.00 -1.46 0.00 0.00 42.92 39.27 2khw s ASP 69 CO 0.03 0.24 1.54 1.55 0.52 0.00 0.00 175.17 179.04 2khw h PRO 70 N 5.32 0.29 -0.19 4.34 0.13 -1.99 -2.77 132.00 137.14 2khw h PRO 70 Ca -0.48 -0.20 -0.17 0.00 -0.87 0.00 0.00 66.00 64.27 2khw h PRO 70 Cb 1.21 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2khw h PRO 70 CO 0.66 0.81 -0.59 0.37 -0.23 0.00 0.00 178.00 179.02 2khw h GLN 71 N 0.21 0.62 0.00 0.86 4.15 -2.00 -2.54 115.11 116.40 2khw h GLN 71 Ca -0.01 -0.41 -0.07 0.00 0.77 0.00 0.00 58.65 58.93 2khw h GLN 71 Cb 1.13 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 2khw h GLN 71 CO 0.10 1.03 -0.33 0.28 -1.93 0.00 0.00 178.83 177.97 2khw h VAL 72 N 0.47 0.61 0.14 2.39 2.07 -1.99 -3.24 116.25 116.69 2khw h VAL 72 Ca 0.00 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 2khw h VAL 72 Cb 1.15 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 2khw h VAL 72 CO 0.11 0.33 -0.07 0.15 0.02 0.00 0.00 177.57 178.12 2khw h PHE 73 N 0.00 -0.17 0.00 1.57 3.57 -1.34 -3.10 116.94 117.47 2khw h PHE 73 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2khw h PHE 73 Cb 1.17 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2khw h PHE 73 CO 0.00 0.29 0.00 1.88 -2.23 0.00 0.00 178.31 178.25 2khw h TYR 74 N -0.78 0.00 -0.00 0.41 0.05 -1.56 0.15 116.97 115.23 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 -0.09 0.39 -1.05 0.00 0.00 178.16 177.50 2khw n GLU 75 N -2.65 0.56 -3.23 4.88 1.02 -1.17 -4.83 120.64 115.21 2khw n GLU 75 Ca -0.02 -0.15 -0.31 0.00 -0.02 0.00 0.00 57.16 56.67 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 -2.55 4.05 0.74 -4.62 1.43 0.51 -5.04 118.68 113.20 2khw s LEU 76 Ca 0.27 0.97 -0.15 0.00 -1.03 0.00 0.00 54.13 54.19 2khw s LEU 76 Cb 0.20 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.65 2khw s LEU 76 CO 0.48 -0.19 0.89 -0.81 0.23 0.00 0.00 176.35 176.95 2khw n PRO 77 N -0.62 0.39 0.05 1.29 -0.04 -1.26 -4.74 135.00 130.07 2khw n PRO 77 Ca 0.01 0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.53 2khw n PRO 77 Cb 0.53 -2.16 -0.08 0.00 -0.04 0.00 0.00 33.50 31.75 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 -0.42 -0.08 -0.88 0.54 4.81 -1.96 0.34 114.58 116.93 2khw h GLU 78 Ca -0.47 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 58.96 2khw h GLU 78 Cb 1.33 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.61 2khw h GLU 78 CO 0.45 0.09 0.41 0.00 -0.73 0.00 0.00 179.01 179.23 2khw h ALA 79 N 0.71 1.39 -0.02 2.92 0.00 -2.00 0.55 119.26 122.81 2khw h ALA 79 Ca -0.01 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2khw h ALA 79 Cb 0.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2khw h ALA 79 CO 0.01 -0.25 -0.80 0.28 0.00 0.00 0.00 179.25 178.49 2khw h VAL 80 N 0.48 1.46 0.15 0.00 2.07 -1.88 -2.83 116.25 115.70 2khw h VAL 80 Ca 0.53 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.61 2khw h VAL 80 Cb 0.92 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2khw h VAL 80 CO -0.47 0.71 -0.10 -0.61 0.02 0.00 0.00 177.57 177.12 2khw h GLN 81 N 0.13 -0.25 -0.30 1.57 4.15 0.21 -0.95 115.11 119.69 2khw h GLN 81 Ca -0.03 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.44 2khw h GLN 81 Cb 1.40 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 29.11 2khw h GLN 81 CO 0.12 -0.16 0.07 0.87 -1.93 0.00 0.00 178.83 177.79 2khw h LYS 82 N -0.26 0.17 -0.94 1.69 1.79 -0.56 0.16 116.57 118.63 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 0.22 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.78 2khw h LYS 82 CO 0.00 0.11 0.61 0.93 -1.08 0.00 0.00 179.45 180.03 2khw h GLU 83 N 0.18 1.13 -0.18 3.15 5.08 -1.23 0.52 114.58 123.23 2khw h GLU 83 Ca 0.14 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.23 2khw h GLU 83 Cb 0.14 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2khw h GLU 83 CO -0.17 0.75 -0.68 -0.07 -1.00 0.00 0.00 179.01 177.83 2khw h LEU 84 N 1.16 0.83 -0.48 1.33 3.38 -0.49 -2.36 115.31 118.68 2khw h LEU 84 Ca 0.38 -0.50 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 2khw h LEU 84 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2khw h LEU 84 CO -0.14 1.28 -0.38 -0.07 0.09 0.00 0.00 178.44 179.23 2khw h LEU 85 N 0.51 0.89 -1.52 1.67 3.38 -0.11 -2.10 115.31 118.03 2khw h LEU 85 Ca -0.02 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 2khw h LEU 85 Cb 1.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2khw h LEU 85 CO 0.14 1.17 0.06 0.00 0.09 0.00 0.00 178.44 179.90 2khw h ALA 86 N 0.88 1.62 -0.07 1.53 0.00 0.08 -0.05 119.26 123.25 2khw h ALA 86 Ca 0.06 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2khw h ALA 86 Cb 0.95 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2khw h ALA 86 CO 0.09 0.29 -0.73 1.49 0.00 0.00 0.00 179.25 180.39 2khw h GLU 87 N 0.38 0.36 0.00 0.00 4.57 -1.14 -0.36 114.58 118.38 2khw h GLU 87 Ca 0.09 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2khw h GLU 87 Cb 0.15 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2khw h GLU 87 CO -0.00 0.94 0.00 -1.49 -1.18 0.00 0.00 179.01 177.27 2khw h TRP 88 N 0.24 0.00 0.07 0.92 6.55 -0.60 -2.99 115.95 120.14 2khw h TRP 88 Ca -0.03 0.00 -0.32 0.00 0.95 0.00 0.00 58.89 59.49 2khw h TRP 88 Cb 1.30 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.57 2khw h TRP 88 CO 0.04 0.00 -1.74 1.63 -1.05 0.00 0.00 178.44 177.32 2khw n LYS 89 N -2.77 0.67 -0.33 0.49 5.02 -0.13 0.68 118.16 121.79 2khw n LYS 89 Ca 0.03 0.38 0.03 0.00 -2.02 0.00 0.00 58.31 56.73 2khw n LYS 89 Cb 0.37 -1.71 0.17 0.00 -0.02 0.00 0.00 35.03 33.84 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 -0.39 0.95 0.09 1.97 0.11 -1.10 -2.44 114.38 113.56 2khw h ARG 90 Ca -0.41 -0.06 -0.33 0.00 0.10 0.00 0.00 59.98 59.28 2khw h ARG 90 Cb 1.73 -0.21 -0.03 0.00 1.11 0.00 0.00 29.97 32.57 2khw h ARG 90 CO -0.05 0.63 -1.84 0.00 0.10 0.00 0.00 179.97 178.80 2khw h THR 91 N 0.98 0.77 0.00 0.08 1.03 -1.67 -3.52 112.91 110.58 2khw h THR 91 Ca 0.41 -2.52 0.00 0.00 -0.01 0.00 0.00 66.41 64.30 2khw h THR 91 Cb 0.27 2.52 0.00 0.00 -1.07 0.00 0.00 68.15 69.86 2khw h THR 91 CO -0.20 0.76 0.00 0.61 -0.01 0.00 0.00 175.52 176.67