#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkg n GLY 58 N 0.00 0.82 3.67 5.87 0.00 -1.26 -5.15 105.19 109.15 2kkg n GLY 58 Ca 0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2kkg n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLN 59 N 0.49 0.39 -2.04 1.61 0.00 -1.26 -4.91 117.38 111.67 2kkg n GLN 59 Ca 0.08 0.20 -0.42 0.00 0.00 0.00 0.00 57.00 56.86 2kkg n GLN 59 Cb 0.69 -2.37 -0.03 0.00 0.00 0.00 0.00 30.24 28.53 2kkg n GLN 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2kkg s PRO 60 N -3.77 4.25 0.00 2.61 0.04 -1.26 -4.90 135.00 131.97 2kkg s PRO 60 Ca 0.74 2.22 0.20 0.00 0.04 0.00 0.00 61.00 64.20 2kkg s PRO 60 Cb -0.32 -3.35 0.54 0.00 0.04 0.00 0.00 34.50 31.41 2kkg s PRO 60 CO 0.50 -0.59 1.44 1.58 0.04 0.00 0.00 177.00 179.97 2kkg n HIS 61 N 4.58 0.49 0.00 0.56 -0.00 -1.26 -4.63 115.22 114.96 2kkg n HIS 61 Ca 0.14 -0.24 0.00 0.00 0.46 0.00 0.00 57.72 58.07 2kkg n HIS 61 Cb 0.41 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.28 2kkg n HIS 61 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kkg n GLY 62 N 1.34 -0.06 1.94 1.57 0.00 -1.26 -5.09 105.19 103.64 2kkg n GLY 62 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2kkg n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 63 N -0.72 -1.02 0.00 -0.02 0.00 -1.26 -5.18 105.19 96.98 2kkg n GLY 63 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2kkg n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 64 N -0.01 4.48 0.26 -0.02 0.00 -1.26 -4.80 105.19 103.85 2kkg n GLY 64 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2kkg n GLY 64 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kkg n TRP 65 N 0.00 -0.12 -0.18 1.61 4.27 -1.26 -4.62 117.44 117.15 2kkg n TRP 65 Ca 0.00 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.64 2kkg n TRP 65 Cb 0.00 0.07 0.09 0.00 -1.36 0.00 0.00 31.31 30.11 2kkg n TRP 65 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2kkg n GLY 66 N 0.31 3.02 3.87 -1.67 0.00 -1.26 -5.03 105.19 104.43 2kkg n GLY 66 Ca 0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 2kkg n GLY 66 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kkg s GLN 67 N -1.17 3.75 0.41 1.61 -2.07 -1.26 -5.04 119.66 115.90 2kkg s GLN 67 Ca 0.14 0.71 -0.23 0.00 -1.82 0.00 0.00 55.36 54.16 2kkg s GLN 67 Cb 0.09 -2.19 -0.10 0.00 -1.09 0.00 0.00 33.01 29.71 2kkg s GLN 67 CO 0.08 -0.32 0.99 -1.25 -1.32 0.00 0.00 175.29 173.47 2kkg s PRO 68 N -4.48 4.20 -0.32 9.60 0.04 -1.26 -4.97 135.00 137.81 2kkg s PRO 68 Ca 0.55 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.88 2kkg s PRO 68 Cb -0.10 -2.39 0.06 0.00 0.04 0.00 0.00 34.50 32.11 2kkg s PRO 68 CO 0.40 -0.07 0.04 -3.38 0.04 0.00 0.00 177.00 174.03 2kkg s HIS 69 N -1.89 3.32 -1.64 0.56 -3.43 -1.26 -4.65 115.29 106.31 2kkg s HIS 69 Ca 0.59 -1.92 0.00 0.00 -0.80 0.00 0.00 55.06 52.93 2kkg s HIS 69 Cb -0.16 -2.30 0.00 0.00 -1.43 0.00 0.00 32.58 28.69 2kkg s HIS 69 CO 0.20 -0.82 0.00 0.41 -2.00 0.00 0.00 174.74 172.53 2kkg n GLY 70 N 4.63 -0.26 0.00 -1.38 0.00 -1.26 -4.48 105.19 102.45 2kkg n GLY 70 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2kkg n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 71 N -0.90 -0.88 3.16 -0.02 0.00 -1.26 -5.16 105.19 100.14 2kkg n GLY 71 Ca -0.22 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2kkg n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 72 N 0.00 1.89 0.18 -0.02 0.00 -1.26 -4.76 105.19 101.22 2kkg n GLY 72 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2kkg n GLY 72 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kkg n TRP 73 N -0.52 0.00 0.04 1.61 4.27 -1.26 -4.62 117.44 116.96 2kkg n TRP 73 Ca -0.02 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.65 2kkg n TRP 73 Cb 0.54 0.01 -0.08 0.00 -1.36 0.00 0.00 31.31 30.41 2kkg n TRP 73 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2kkg n GLY 74 N 3.49 -0.47 3.69 -1.67 0.00 -1.26 -5.02 105.19 103.95 2kkg n GLY 74 Ca 0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2kkg n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLN 75 N -1.83 0.49 -1.58 1.61 10.64 -1.26 -4.96 117.38 120.49 2kkg n GLN 75 Ca -0.02 0.23 -0.34 0.00 -1.83 0.00 0.00 57.00 55.04 2kkg n GLN 75 Cb 0.28 -2.43 0.08 0.00 -0.86 0.00 0.00 30.24 27.30 2kkg n GLN 75 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2kkg s PRO 76 N -3.79 2.39 -0.13 2.61 0.04 -1.26 -4.98 135.00 129.88 2kkg s PRO 76 Ca 0.76 1.71 0.11 0.00 0.04 0.00 0.00 61.00 63.62 2kkg s PRO 76 Cb -0.32 -1.87 -0.16 0.00 0.04 0.00 0.00 34.50 32.19 2kkg s PRO 76 CO 0.48 -1.64 0.03 -2.39 0.04 0.00 0.00 177.00 173.52 2kkg n HIS 77 N -2.48 0.00 -0.02 0.56 1.44 -1.26 -4.86 115.22 108.60 2kkg n HIS 77 Ca 0.13 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.80 2kkg n HIS 77 Cb 0.50 -0.64 -0.01 0.00 0.12 0.00 0.00 29.99 29.96 2kkg n HIS 77 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kkg n GLY 78 N 2.24 -0.31 0.85 -1.39 0.00 -1.26 -4.99 105.19 100.33 2kkg n GLY 78 Ca -0.22 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 2kkg n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 79 N 2.29 0.32 0.00 -0.02 0.00 -1.26 -5.15 105.19 101.36 2kkg n GLY 79 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2kkg n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 80 N 0.00 0.88 0.26 -0.02 0.00 -1.26 -5.04 105.19 100.00 2kkg n GLY 80 Ca -0.20 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2kkg n GLY 80 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kkg n TRP 81 N 7.27 -0.10 -0.44 1.61 4.27 -1.26 -4.44 117.44 124.34 2kkg n TRP 81 Ca 0.00 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.66 2kkg n TRP 81 Cb 0.00 0.07 0.10 0.00 -1.36 0.00 0.00 31.31 30.12 2kkg n TRP 81 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2kkg n GLY 82 N 0.42 3.57 3.87 -1.67 0.00 -1.26 -5.03 105.19 105.08 2kkg n GLY 82 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 2kkg n GLY 82 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kkg s GLN 83 N -1.72 3.80 0.66 1.61 -2.07 -1.26 -5.06 119.66 115.61 2kkg s GLN 83 Ca 0.19 0.48 -0.16 0.00 -1.82 0.00 0.00 55.36 54.05 2kkg s GLN 83 Cb 0.14 -2.40 -0.00 0.00 -1.09 0.00 0.00 33.01 29.67 2kkg s GLN 83 CO 0.05 -0.02 1.16 -1.25 -1.32 0.00 0.00 175.29 173.91 2kkg s PRO 84 N -3.76 2.69 -0.13 9.60 0.04 -1.26 -4.98 135.00 137.20 2kkg s PRO 84 Ca 0.51 1.59 0.10 0.00 0.04 0.00 0.00 61.00 63.25 2kkg s PRO 84 Cb -0.10 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 2kkg s PRO 84 CO 0.30 -1.37 0.02 1.58 0.04 0.00 0.00 177.00 177.57 2kkg n HIS 85 N -2.25 0.00 -1.92 0.56 -0.00 -1.26 -4.67 115.22 105.67 2kkg n HIS 85 Ca 0.12 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.35 2kkg n HIS 85 Cb 0.51 -0.61 0.11 0.00 -0.12 0.00 0.00 29.99 29.88 2kkg n HIS 85 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kkg n GLY 86 N 2.29 3.08 0.00 1.57 0.00 -1.26 -5.04 105.19 105.83 2kkg n GLY 86 Ca -0.21 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2kkg n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 87 N -0.43 0.19 7.00 -0.02 0.00 -1.26 -5.05 105.19 105.62 2kkg n GLY 87 Ca 0.12 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2kkg n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLY 88 N 0.56 -0.80 0.48 -0.02 0.00 -1.26 -4.99 105.19 99.16 2kkg n GLY 88 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2kkg n GLY 88 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kkg n TRP 89 N -1.84 -0.22 -1.57 1.61 4.27 -1.26 -4.42 117.44 114.00 2kkg n TRP 89 Ca 0.00 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.63 2kkg n TRP 89 Cb 0.00 0.12 0.03 0.00 -1.36 0.00 0.00 31.31 30.10 2kkg n TRP 89 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2kkg n GLY 90 N 0.29 1.11 0.00 -1.67 0.00 -1.26 -5.20 105.19 98.46 2kkg n GLY 90 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.78 2kkg n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93