#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 -3.31 3.93 -1.67 0.00 -1.26 -4.64 105.19 98.24 2kkg n GLY 58 Ca 0.00 0.57 -0.27 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.91 3.53 0.61 1.61 -2.07 -1.26 -5.06 119.66 115.11 2kkg s GLN 59 Ca 0.00 -0.32 -0.18 0.00 -1.82 0.00 0.00 55.36 53.04 2kkg s GLN 59 Cb 0.00 -2.82 -0.03 0.00 -1.09 0.00 0.00 33.01 29.07 2kkg s GLN 59 CO 0.00 0.39 1.19 -1.25 -1.32 0.00 0.00 175.29 174.29 2kkg s PRO 60 N -3.35 2.92 -0.16 9.60 0.04 -1.26 -4.98 135.00 137.81 2kkg s PRO 60 Ca 0.39 1.74 0.12 0.00 0.04 0.00 0.00 61.00 63.29 2kkg s PRO 60 Cb -0.11 -1.93 -0.18 0.00 0.04 0.00 0.00 34.50 32.32 2kkg s PRO 60 CO 0.29 -1.23 0.03 1.58 0.04 0.00 0.00 177.00 177.71 2kkg n HIS 61 N -1.76 0.00 0.00 0.56 -0.00 -1.26 -4.83 115.22 107.93 2kkg n HIS 61 Ca 0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.31 2kkg n HIS 61 Cb 0.50 -0.76 0.00 0.00 -0.12 0.00 0.00 29.99 29.61 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 2.11 0.00 2.79 1.57 0.00 -1.26 -5.05 105.19 105.35 2kkg n GLY 62 Ca -0.26 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.78 2kkg n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kkg s GLY 63 N -3.84 -1.49 0.00 -0.02 0.00 -1.26 -5.15 107.32 95.55 2kkg s GLY 63 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.15 2kkg s GLY 63 CO 0.00 4.32 0.00 0.61 0.00 0.00 0.00 173.10 178.03 2kkg n GLY 64 N 3.81 -0.72 0.82 0.20 0.00 -1.26 -4.99 105.19 103.06 2kkg n GLY 64 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.77 -0.44 0.02 1.61 4.27 -1.26 -4.56 117.44 115.32 2kkg n TRP 65 Ca 0.00 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.66 2kkg n TRP 65 Cb 0.00 0.21 -0.08 0.00 -1.36 0.00 0.00 31.31 30.07 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 0.19 -0.47 3.66 -1.67 0.00 -1.26 -5.03 105.19 100.62 2kkg n GLY 66 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2kkg n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLN 67 N -1.84 0.48 -1.09 1.61 10.64 -1.26 -4.96 117.38 120.96 2kkg n GLN 67 Ca -0.02 0.23 -0.32 0.00 -1.83 0.00 0.00 57.00 55.06 2kkg n GLN 67 Cb 0.27 -2.36 0.12 0.00 -0.86 0.00 0.00 30.24 27.41 2kkg n GLN 67 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2kkg s PRO 68 N -3.65 1.69 -0.33 2.61 0.04 -1.26 -5.02 135.00 129.08 2kkg s PRO 68 Ca 0.75 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2kkg s PRO 68 Cb -0.33 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.49 2kkg s PRO 68 CO 0.49 -2.13 0.04 -3.38 0.04 0.00 0.00 177.00 172.06 2kkg s HIS 69 N -2.47 3.46 0.00 0.56 -3.43 -1.26 -4.63 115.29 107.52 2kkg s HIS 69 Ca 0.68 -2.36 0.00 0.00 -0.80 0.00 0.00 55.06 52.58 2kkg s HIS 69 Cb -0.24 -2.53 0.00 0.00 -1.43 0.00 0.00 32.58 28.38 2kkg s HIS 69 CO 0.53 -0.89 0.00 0.41 -2.00 0.00 0.00 174.74 172.78 2kkg n GLY 70 N 4.49 3.06 0.00 -1.38 0.00 -1.26 -4.70 105.19 105.41 2kkg n GLY 70 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.82 -1.67 0.00 -0.02 0.00 -1.26 -5.17 105.19 96.25 2kkg n GLY 71 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 5.40 0.30 -0.02 0.00 -1.26 -4.64 105.19 104.97 2kkg n GLY 72 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 0.33 1.61 4.27 -1.26 -4.21 117.44 118.18 2kkg n TRP 73 Ca 0.00 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.64 2kkg n TRP 73 Cb 0.00 0.07 -0.03 0.00 -1.36 0.00 0.00 31.31 29.98 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 1.62 0.24 3.66 -1.67 0.00 -1.26 -5.04 105.19 102.74 2kkg n GLY 74 Ca 0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.02 0.41 -2.28 1.61 10.64 -1.26 -4.94 117.38 120.54 2kkg n GLN 75 Ca 0.02 0.21 -0.41 0.00 -1.83 0.00 0.00 57.00 54.98 2kkg n GLN 75 Cb 0.12 -2.35 -0.03 0.00 -0.86 0.00 0.00 30.24 27.11 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 -3.71 4.47 -0.40 2.61 0.04 -1.26 -5.01 135.00 131.73 2kkg s PRO 76 Ca 0.74 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 63.71 2kkg s PRO 76 Cb -0.32 -3.16 0.07 0.00 0.04 0.00 0.00 34.50 31.13 2kkg s PRO 76 CO 0.50 -0.07 0.23 -1.01 0.04 0.00 0.00 177.00 176.68 2kkg s HIS 77 N -0.68 3.34 0.00 0.56 3.76 -1.26 -4.48 115.29 116.53 2kkg s HIS 77 Ca 0.50 -1.58 0.00 0.00 -0.15 0.00 0.00 55.06 53.83 2kkg s HIS 77 Cb -0.36 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 30.47 2kkg s HIS 77 CO 0.43 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 173.90 2kkg n GLY 78 N 4.87 2.49 0.00 -2.22 0.00 -1.26 -4.84 105.19 104.24 2kkg n GLY 78 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.34 7.00 -0.02 0.00 -1.26 -5.14 105.19 106.10 2kkg n GLY 79 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.54 0.32 -0.02 0.00 -1.26 -4.93 105.19 99.84 2kkg n GLY 80 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.23 0.00 -0.01 1.61 4.27 -1.26 -4.23 117.44 117.59 2kkg n TRP 81 Ca 0.00 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.68 2kkg n TRP 81 Cb 0.00 0.07 -0.11 0.00 -1.36 0.00 0.00 31.31 29.92 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 1.50 -0.63 3.70 -1.67 0.00 -1.26 -5.01 105.19 101.81 2kkg n GLY 82 Ca 0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 2kkg n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kkg n GLN 83 N -2.00 0.42 -2.17 1.61 10.64 -1.26 -4.95 117.38 119.67 2kkg n GLN 83 Ca -0.03 0.21 -0.40 0.00 -1.83 0.00 0.00 57.00 54.95 2kkg n GLN 83 Cb 0.38 -2.46 -0.02 0.00 -0.86 0.00 0.00 30.24 27.28 2kkg n GLN 83 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2kkg s PRO 84 N -3.92 4.23 -0.14 2.61 0.04 -1.26 -4.96 135.00 131.61 2kkg s PRO 84 Ca 0.76 2.09 0.14 0.00 0.04 0.00 0.00 61.00 64.02 2kkg s PRO 84 Cb -0.31 -2.93 -0.24 0.00 0.04 0.00 0.00 34.50 31.05 2kkg s PRO 84 CO 0.48 -0.24 0.31 1.58 0.04 0.00 0.00 177.00 179.17 2kkg n HIS 85 N 0.54 0.47 0.00 0.56 -0.00 -1.26 -4.73 115.22 110.80 2kkg n HIS 85 Ca 0.02 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.36 2kkg n HIS 85 Cb 0.43 -1.08 0.00 0.00 -0.12 0.00 0.00 29.99 29.22 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 1.71 0.00 0.00 1.57 0.00 -1.26 -5.06 105.19 102.15 2kkg n GLY 86 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 3.38 -1.34 6.96 -0.02 0.00 -1.26 -5.15 105.19 107.75 2kkg n GLY 87 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 0.00 -0.91 0.76 -0.02 0.00 -1.26 -4.99 105.19 98.77 2kkg n GLY 88 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.99 -0.40 -0.01 1.61 4.27 -1.26 -4.59 117.44 115.08 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 0.19 -0.06 0.00 -1.36 0.00 0.00 31.31 30.09 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 0.20 -0.36 0.00 -1.67 0.00 -1.26 -5.19 105.19 96.92 2kkg n GLY 90 Ca 0.00 -0.17 0.02 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