#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 3.85 -0.15 3.15 1.01 -1.26 -5.09 121.20 122.71 2khw s ILE 62 Ca 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 2khw s ILE 62 Cb 0.00 -2.67 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 2khw s ILE 62 CO 0.00 0.52 -0.14 -0.89 0.00 0.00 0.00 174.94 174.42 2khw s THR 63 N 0.14 2.79 -0.10 2.92 2.01 -1.26 -5.11 115.64 117.02 2khw s THR 63 Ca -0.01 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 2khw s THR 63 Cb -0.14 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 2khw s THR 63 CO 0.03 0.51 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.05 2khw s PHE 64 N 0.75 2.96 1.02 4.92 0.08 -1.26 -5.06 117.98 121.39 2khw s PHE 64 Ca -0.06 -0.16 -0.18 0.00 0.12 0.00 0.00 56.93 56.65 2khw s PHE 64 Cb -0.15 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.46 2khw s PHE 64 CO 0.01 0.15 -0.31 -2.30 -0.10 0.00 0.00 175.22 172.67 2khw n PRO 65 N 2.81 -0.59 0.00 0.24 -0.02 -1.26 -4.77 135.00 131.41 2khw n PRO 65 Ca -0.18 -0.15 0.06 0.00 -2.02 0.00 0.00 63.50 61.20 2khw n PRO 65 Cb 0.53 -1.49 0.32 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.38 0.00 0.00 2.55 7.64 -1.26 -2.08 113.62 120.85 2khw n SER 66 Ca 0.02 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.68 2khw n SER 66 Cb 0.61 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 -1.09 1.60 -4.41 6.43 9.92 -1.26 -5.02 116.55 122.72 2khw n ASP 67 Ca 0.08 -1.80 -0.33 0.00 -0.53 0.00 0.00 54.79 52.21 2khw n ASP 67 Cb 0.05 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.40 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 -0.80 3.29 -0.12 0.53 -1.09 -0.88 -5.11 121.20 117.03 2khw s ILE 68 Ca 0.00 -0.57 -0.07 0.00 -2.23 0.00 0.00 60.65 57.78 2khw s ILE 68 Cb 0.00 -2.40 -0.04 0.00 -1.58 0.00 0.00 42.46 38.44 2khw s ILE 68 CO 0.00 0.52 0.14 -0.62 -1.23 0.00 0.00 174.94 173.74 2khw s ASP 69 N 0.35 6.36 -0.02 3.58 -1.08 -1.26 -4.67 116.67 119.92 2khw s ASP 69 Ca -0.09 0.46 -0.25 0.00 -0.52 0.00 0.00 52.55 52.15 2khw s ASP 69 Cb -0.15 -2.05 -0.20 0.00 -1.46 0.00 0.00 42.92 39.05 2khw s ASP 69 CO 0.05 0.41 1.22 1.55 0.52 0.00 0.00 175.17 178.92 2khw h PRO 70 N 5.00 0.10 -0.84 4.34 0.13 -1.98 -2.54 132.00 136.20 2khw h PRO 70 Ca -0.55 -0.06 0.20 0.00 -0.87 0.00 0.00 66.00 64.72 2khw h PRO 70 Cb 1.23 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 2khw h PRO 70 CO 0.58 0.63 0.29 0.37 -0.23 0.00 0.00 178.00 179.65 2khw h GLN 71 N -0.42 0.32 0.00 0.86 4.15 -2.00 0.35 115.11 118.37 2khw h GLN 71 Ca 0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 2khw h GLN 71 Cb 0.63 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 2khw h GLN 71 CO 0.01 0.21 -0.38 0.28 -1.93 0.00 0.00 178.83 177.02 2khw h VAL 72 N 0.33 0.62 0.15 2.39 2.07 -1.99 -3.30 116.25 116.51 2khw h VAL 72 Ca 0.51 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 2khw h VAL 72 Cb 0.95 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2khw h VAL 72 CO -0.54 0.35 -0.07 0.15 0.02 0.00 0.00 177.57 177.48 2khw h PHE 73 N 0.00 -0.18 0.00 1.57 3.57 0.09 -3.07 116.94 118.91 2khw h PHE 73 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2khw h PHE 73 Cb 1.28 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.08 2khw h PHE 73 CO 0.00 0.25 0.00 1.88 -2.23 0.00 0.00 178.31 178.21 2khw h TYR 74 N -0.73 0.00 -0.00 0.41 0.05 -1.31 0.10 116.97 115.49 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 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2khw h TYR 74 CO 0.08 0.00 -0.07 0.39 -1.05 0.00 0.00 178.16 177.50 2khw n GLU 75 N -2.50 0.55 -3.33 4.88 1.02 -1.16 -4.84 120.64 115.27 2khw n GLU 75 Ca -0.01 -0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.70 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 -2.53 4.10 0.81 -4.62 1.43 0.02 -5.05 118.68 112.83 2khw s LEU 76 Ca 0.28 0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 54.12 2khw s LEU 76 Cb 0.20 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.77 2khw s LEU 76 CO 0.48 -0.15 0.78 -0.81 0.23 0.00 0.00 176.35 176.88 2khw n PRO 77 N -0.51 0.13 0.02 1.29 -0.04 -1.26 -4.70 135.00 129.94 2khw n PRO 77 Ca 0.00 0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2khw n PRO 77 Cb 0.53 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.82 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 -0.84 -0.01 -0.84 0.54 4.57 -1.96 0.18 114.58 116.22 2khw h GLU 78 Ca -0.45 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 57.89 2khw h GLU 78 Cb 1.31 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.80 2khw h GLU 78 CO 0.42 0.16 0.39 0.00 -1.18 0.00 0.00 179.01 178.80 2khw h ALA 79 N 0.82 1.26 -0.00 2.92 0.00 -2.00 0.39 119.26 122.66 2khw h ALA 79 Ca -0.00 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 2khw h ALA 79 Cb 0.17 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2khw h ALA 79 CO 0.00 -0.19 -0.84 0.28 0.00 0.00 0.00 179.25 178.51 2khw h VAL 80 N 0.52 1.52 0.04 0.00 2.07 -1.88 -2.89 116.25 115.62 2khw h VAL 80 Ca 0.48 -2.63 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 2khw h VAL 80 Cb 0.76 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2khw h VAL 80 CO -0.42 0.76 -0.02 -0.61 0.02 0.00 0.00 177.57 177.30 2khw h GLN 81 N 0.07 -0.05 -0.22 1.57 4.15 0.26 -1.78 115.11 119.12 2khw h GLN 81 Ca -0.03 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.43 2khw h GLN 81 Cb 1.46 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.13 2khw h GLN 81 CO 0.12 0.01 0.03 0.87 -1.93 0.00 0.00 178.83 177.93 2khw h LYS 82 N -0.09 0.11 -0.96 1.69 1.79 -0.44 -1.22 116.57 117.44 2khw h LYS 82 Ca -0.01 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.51 2khw h LYS 82 Cb 0.08 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.64 2khw h LYS 82 CO 0.01 0.07 0.62 0.93 -1.08 0.00 0.00 179.45 180.00 2khw h GLU 83 N 0.11 1.12 -0.29 3.15 5.08 -1.29 0.32 114.58 122.77 2khw h GLU 83 Ca 0.10 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 2khw h GLU 83 Cb 0.11 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2khw h GLU 83 CO -0.15 0.74 -0.48 -0.07 -1.00 0.00 0.00 179.01 178.05 2khw h LEU 84 N 1.15 0.87 -0.43 1.33 3.38 -0.85 -2.47 115.31 118.29 2khw h LEU 84 Ca 0.41 -0.43 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2khw h LEU 84 Cb 0.12 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2khw h LEU 84 CO -0.16 1.20 -0.57 -0.07 0.09 0.00 0.00 178.44 178.93 2khw h LEU 85 N 0.63 0.73 -1.72 1.67 3.38 -0.65 -2.03 115.31 117.32 2khw h LEU 85 Ca 0.03 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.61 2khw h LEU 85 Cb 1.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2khw h LEU 85 CO 0.10 1.15 0.21 0.00 0.09 0.00 0.00 178.44 179.99 2khw h ALA 86 N 0.86 1.83 0.01 1.53 0.00 -0.28 0.86 119.26 124.08 2khw h ALA 86 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2khw h ALA 86 Cb 1.14 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2khw h ALA 86 CO 0.11 0.15 -1.02 1.49 0.00 0.00 0.00 179.25 179.99 2khw h GLU 87 N 0.38 0.54 0.00 0.00 4.81 -1.18 0.44 114.58 119.57 2khw h GLU 87 Ca 0.12 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2khw h GLU 87 Cb 0.02 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2khw h GLU 87 CO -0.03 1.22 0.00 -1.49 -0.73 0.00 0.00 179.01 177.98 2khw h TRP 88 N 0.29 0.00 0.05 0.92 6.55 -0.49 -2.96 115.95 120.31 2khw h TRP 88 Ca -0.11 0.00 -0.33 0.00 0.95 0.00 0.00 58.89 59.40 2khw h TRP 88 Cb 1.66 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 29.93 2khw h TRP 88 CO 0.08 0.00 -1.82 1.63 -1.05 0.00 0.00 178.44 177.28 2khw n LYS 89 N -2.81 0.65 -0.33 0.49 5.02 0.29 0.41 118.16 121.87 2khw n LYS 89 Ca 0.04 0.38 0.11 0.00 -2.02 0.00 0.00 58.31 56.81 2khw n LYS 89 Cb 0.44 -1.68 0.31 0.00 -0.02 0.00 0.00 35.03 34.09 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 -0.50 0.79 0.05 1.97 0.11 -0.16 -2.30 114.38 114.34 2khw h ARG 90 Ca -0.44 -0.05 -0.36 0.00 0.10 0.00 0.00 59.98 59.23 2khw h ARG 90 Cb 1.68 -0.18 -0.05 0.00 1.11 0.00 0.00 29.97 32.53 2khw h ARG 90 CO -0.11 0.53 -2.12 -2.37 0.10 0.00 0.00 179.97 175.99 2khw n THR 91 N -4.64 1.61 0.00 0.08 5.66 -1.12 -5.09 114.28 110.78 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 0.47 -1.30 0.00 0.00 -1.55 0.00 0.00 70.33 67.95 2khw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63