#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 -0.78 3.58 5.87 0.00 -1.26 -5.16 105.19 107.43 2kkg n GLY 58 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2kkg n GLY 58 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kkg s GLN 59 N 0.02 0.46 0.55 1.61 -2.07 -1.26 -5.16 119.66 113.81 2kkg s GLN 59 Ca 0.02 -0.02 -0.19 0.00 -1.82 0.00 0.00 55.36 53.35 2kkg s GLN 59 Cb 0.05 0.22 -0.06 0.00 -1.09 0.00 0.00 33.01 32.13 2kkg s GLN 59 CO -0.01 -0.17 1.15 -1.25 -1.32 0.00 0.00 175.29 173.68 2kkg s PRO 60 N -1.78 3.30 -0.13 9.60 0.04 -1.26 -4.97 135.00 139.79 2kkg s PRO 60 Ca 0.04 1.66 0.15 0.00 0.04 0.00 0.00 61.00 62.89 2kkg s PRO 60 Cb -0.01 -2.01 -0.24 0.00 0.04 0.00 0.00 34.50 32.29 2kkg s PRO 60 CO -0.04 -0.90 0.33 1.58 0.04 0.00 0.00 177.00 178.01 2kkg n HIS 61 N -1.32 0.46 -2.26 0.56 -0.00 -1.26 -4.79 115.22 106.61 2kkg n HIS 61 Ca 0.12 0.16 -0.02 0.00 0.46 0.00 0.00 57.72 58.44 2kkg n HIS 61 Cb 0.51 -1.08 0.03 0.00 -0.12 0.00 0.00 29.99 29.32 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 1.68 0.24 0.00 1.57 0.00 -1.26 -5.07 105.19 102.35 2kkg n GLY 62 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.45 -2.46 0.00 -0.02 0.00 -1.26 -5.18 105.19 95.82 2kkg n GLY 63 Ca -0.10 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.47 1.85 0.32 -0.02 0.00 -1.26 -4.96 105.19 100.65 2kkg n GLY 64 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.13 -0.35 1.61 4.27 -1.26 -4.60 117.44 116.98 2kkg n TRP 65 Ca 0.00 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.65 2kkg n TRP 65 Cb 0.00 0.08 0.07 0.00 -1.36 0.00 0.00 31.31 30.10 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 0.38 3.51 3.83 -1.67 0.00 -1.26 -5.04 105.19 104.94 2kkg n GLY 66 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.58 3.82 0.56 1.61 -2.07 -1.26 -5.01 119.66 115.73 2kkg s GLN 67 Ca 0.14 1.00 -0.20 0.00 -1.82 0.00 0.00 55.36 54.48 2kkg s GLN 67 Cb 0.11 -2.11 -0.05 0.00 -1.09 0.00 0.00 33.01 29.87 2kkg s GLN 67 CO 0.03 -0.38 1.20 -1.25 -1.32 0.00 0.00 175.29 173.57 2kkg s PRO 68 N -4.09 3.18 0.00 9.60 0.04 -1.26 -4.95 135.00 137.53 2kkg s PRO 68 Ca 0.60 1.81 0.22 0.00 0.04 0.00 0.00 61.00 63.67 2kkg s PRO 68 Cb -0.11 -2.04 0.50 0.00 0.04 0.00 0.00 34.50 32.89 2kkg s PRO 68 CO 0.33 -1.03 1.44 1.58 0.04 0.00 0.00 177.00 179.36 2kkg n HIS 69 N -1.32 0.56 0.00 0.56 -0.00 -1.26 -4.62 115.22 109.14 2kkg n HIS 69 Ca 0.12 -0.28 0.00 0.00 0.46 0.00 0.00 57.72 58.02 2kkg n HIS 69 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2kkg n HIS 69 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kkg n GLY 70 N 1.49 0.00 0.00 1.57 0.00 -1.26 -5.09 105.19 101.89 2kkg n GLY 70 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.03 0.00 -0.02 0.00 -1.26 -5.12 105.19 98.81 2kkg n GLY 71 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 5.33 0.41 -0.02 0.00 -1.26 -4.70 105.19 104.95 2kkg n GLY 72 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 -0.20 -0.01 1.61 4.27 -1.26 -4.62 117.44 117.23 2kkg n TRP 73 Ca 0.00 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.68 2kkg n TRP 73 Cb 0.00 0.10 -0.12 0.00 -1.36 0.00 0.00 31.31 29.93 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 0.25 -0.72 3.74 -1.67 0.00 -1.26 -5.00 105.19 100.53 2kkg n GLY 74 Ca 0.00 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 2kkg n GLY 74 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kkg s GLN 75 N -3.06 2.41 0.69 1.61 -2.07 -1.26 -4.99 119.66 112.99 2kkg s GLN 75 Ca -0.06 1.61 -0.15 0.00 -1.82 0.00 0.00 55.36 54.94 2kkg s GLN 75 Cb 0.10 -1.88 0.02 0.00 -1.09 0.00 0.00 33.01 30.15 2kkg s GLN 75 CO 0.66 -1.59 1.14 -1.25 -1.32 0.00 0.00 175.29 172.93 2kkg s PRO 76 N -3.97 2.54 -0.20 9.60 0.04 -1.26 -4.98 135.00 136.76 2kkg s PRO 76 Ca 0.71 1.52 0.15 0.00 0.04 0.00 0.00 61.00 63.42 2kkg s PRO 76 Cb -0.25 -1.91 -0.23 0.00 0.04 0.00 0.00 34.50 32.15 2kkg s PRO 76 CO 0.43 -1.47 0.02 -2.39 0.04 0.00 0.00 177.00 173.63 2kkg n HIS 77 N -2.55 0.00 0.00 0.56 1.44 -1.26 -4.83 115.22 108.58 2kkg n HIS 77 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 2kkg n HIS 77 Cb 0.51 -0.97 0.00 0.00 0.12 0.00 0.00 29.99 29.65 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 1.87 0.00 2.83 -1.39 0.00 -1.26 -5.05 105.19 102.19 2kkg n GLY 78 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2kkg n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kkg s GLY 79 N -4.67 -1.55 0.00 -0.02 0.00 -1.26 -5.15 107.32 94.67 2kkg s GLY 79 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.55 2kkg s GLY 79 CO 0.00 4.15 0.00 0.61 0.00 0.00 0.00 173.10 177.86 2kkg n GLY 80 N 3.56 -1.62 0.77 0.20 0.00 -1.26 -5.01 105.19 101.83 2kkg n GLY 80 Ca 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.70 -0.39 -0.02 1.61 4.27 -1.26 -4.47 117.44 116.48 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 0.19 -0.11 0.00 -1.36 0.00 0.00 31.31 30.03 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 0.22 -0.65 3.70 -1.67 0.00 -1.26 -5.01 105.19 100.53 2kkg n GLY 82 Ca 0.00 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.87 1.85 0.35 1.61 -2.07 -1.26 -4.95 119.66 112.32 2kkg s GLN 83 Ca -0.05 1.85 -0.28 0.00 -1.82 0.00 0.00 55.36 55.06 2kkg s GLN 83 Cb 0.08 -1.79 -0.10 0.00 -1.09 0.00 0.00 33.01 30.12 2kkg s GLN 83 CO 0.58 -2.08 1.25 -1.25 -1.32 0.00 0.00 175.29 172.48 2kkg s PRO 84 N -3.93 4.28 -0.13 9.60 0.04 -1.26 -4.96 135.00 138.63 2kkg s PRO 84 Ca 0.76 2.09 0.13 0.00 0.04 0.00 0.00 61.00 64.02 2kkg s PRO 84 Cb -0.31 -2.97 -0.24 0.00 0.04 0.00 0.00 34.50 31.02 2kkg s PRO 84 CO 0.48 -0.21 0.33 0.72 0.04 0.00 0.00 177.00 178.36 2kkg n HIS 85 N 0.62 0.51 0.00 0.56 8.25 -1.26 -4.75 115.22 119.14 2kkg n HIS 85 Ca 0.01 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2kkg n HIS 85 Cb 0.43 -1.09 0.00 0.00 1.12 0.00 0.00 29.99 30.45 2kkg n HIS 85 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kkg n GLY 86 N 1.71 0.00 3.01 -1.41 0.00 -1.26 -5.06 105.19 102.17 2kkg n GLY 86 Ca -0.27 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.80 2kkg n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kkg s GLY 87 N -3.86 -1.12 0.01 -0.02 0.00 -1.26 -5.15 107.32 95.91 2kkg s GLY 87 Ca 0.00 1.94 0.00 0.00 0.00 0.00 0.00 44.72 46.66 2kkg s GLY 87 CO 0.00 4.23 0.00 0.61 0.00 0.00 0.00 173.10 177.94 2kkg n GLY 88 N 4.57 -0.94 0.44 0.20 0.00 -1.26 -4.99 105.19 103.21 2kkg n GLY 88 Ca 0.08 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.05 -0.21 -1.56 1.61 4.27 -1.26 -4.54 117.44 113.71 2kkg n TRP 89 Ca 0.00 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.64 2kkg n TRP 89 Cb 0.02 0.11 0.04 0.00 -1.36 0.00 0.00 31.31 30.12 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 0.27 1.46 0.06 -1.67 0.00 -1.26 -5.18 105.19 98.87 2kkg n GLY 90 Ca 0.00 -0.31 0.16 0.00 0.00 0.00 0.00 46.02 45.87 2kkg n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93