#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 -1.02 1.37 -1.67 0.00 -1.26 -5.10 105.19 97.52 2kkg n GLY 58 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.86 -3.03 -2.34 1.61 0.00 -1.26 -4.76 117.38 104.74 2kkg n GLN 59 Ca -0.23 2.43 -0.42 0.00 0.00 0.00 0.00 57.00 58.78 2kkg n GLN 59 Cb 1.06 -3.39 -0.03 0.00 0.00 0.00 0.00 30.24 27.88 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 -4.74 4.37 0.00 2.61 0.04 -1.26 -4.92 135.00 131.10 2kkg s PRO 60 Ca 0.00 1.86 0.18 0.00 0.04 0.00 0.00 61.00 63.08 2kkg s PRO 60 Cb 0.00 -3.38 0.61 0.00 0.04 0.00 0.00 34.50 31.77 2kkg s PRO 60 CO 0.00 -0.37 1.46 0.72 0.04 0.00 0.00 177.00 178.85 2kkg n HIS 61 N 4.28 0.30 0.00 0.56 8.25 -1.26 -4.56 115.22 122.79 2kkg n HIS 61 Ca 0.10 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2kkg n HIS 61 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 2kkg n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kkg n GLY 62 N 1.13 0.00 0.00 -1.41 0.00 -1.26 -5.09 105.19 98.55 2kkg n GLY 62 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -1.26 0.00 -0.02 0.00 -1.26 -5.15 105.19 97.50 2kkg n GLY 63 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 3.87 0.48 -0.02 0.00 -1.26 -4.84 105.19 103.42 2kkg n GLY 64 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.21 0.05 1.61 4.27 -1.26 -4.58 117.44 117.32 2kkg n TRP 65 Ca 0.00 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.67 2kkg n TRP 65 Cb 0.00 0.12 -0.09 0.00 -1.36 0.00 0.00 31.31 29.98 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 0.32 -0.51 3.66 -1.67 0.00 -1.26 -5.02 105.19 100.72 2kkg n GLY 66 Ca 0.00 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.86 0.40 -1.74 1.61 10.64 -1.26 -4.96 117.38 120.20 2kkg n GLN 67 Ca -0.02 0.20 -0.34 0.00 -1.83 0.00 0.00 57.00 55.02 2kkg n GLN 67 Cb 0.30 -2.37 0.05 0.00 -0.86 0.00 0.00 30.24 27.37 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 -3.76 2.71 -0.19 2.61 0.04 -1.26 -4.98 135.00 130.16 2kkg s PRO 68 Ca 0.74 1.52 0.15 0.00 0.04 0.00 0.00 61.00 63.45 2kkg s PRO 68 Cb -0.32 -1.93 -0.22 0.00 0.04 0.00 0.00 34.50 32.07 2kkg s PRO 68 CO 0.50 -1.35 0.03 1.58 0.04 0.00 0.00 177.00 177.80 2kkg n HIS 69 N -2.33 0.00 0.00 0.56 -0.00 -1.26 -4.79 115.22 107.39 2kkg n HIS 69 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 2kkg n HIS 69 Cb 0.51 -0.94 0.00 0.00 -0.12 0.00 0.00 29.99 29.45 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 1.90 0.00 2.79 1.57 0.00 -1.26 -5.05 105.19 105.13 2kkg n GLY 70 Ca -0.32 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.72 2kkg n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kkg s GLY 71 N -3.81 -1.42 0.02 -0.02 0.00 -1.26 -5.15 107.32 95.68 2kkg s GLY 71 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 44.72 46.46 2kkg s GLY 71 CO 0.00 4.40 0.00 0.61 0.00 0.00 0.00 173.10 178.11 2kkg n GLY 72 N 3.90 -1.04 0.22 0.20 0.00 -1.26 -5.00 105.19 102.21 2kkg n GLY 72 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.07 -0.10 -0.49 1.61 4.27 -1.26 -4.56 117.44 114.84 2kkg n TRP 73 Ca 0.00 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.66 2kkg n TRP 73 Cb 0.05 0.06 0.10 0.00 -1.36 0.00 0.00 31.31 30.15 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 0.33 3.71 3.86 -1.67 0.00 -1.26 -5.04 105.19 105.13 2kkg n GLY 74 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.83 3.85 0.50 1.61 -2.07 -1.26 -5.00 119.66 115.46 2kkg s GLN 75 Ca 0.18 0.63 -0.22 0.00 -1.82 0.00 0.00 55.36 54.14 2kkg s GLN 75 Cb 0.15 -2.31 -0.06 0.00 -1.09 0.00 0.00 33.01 29.69 2kkg s GLN 75 CO 0.04 -0.10 1.23 -1.25 -1.32 0.00 0.00 175.29 173.89 2kkg s PRO 76 N -3.86 3.47 -0.19 9.60 0.04 -1.26 -4.97 135.00 137.84 2kkg s PRO 76 Ca 0.54 1.92 0.16 0.00 0.04 0.00 0.00 61.00 63.65 2kkg s PRO 76 Cb -0.10 -2.30 -0.24 0.00 0.04 0.00 0.00 34.50 31.90 2kkg s PRO 76 CO 0.30 -0.83 0.12 1.58 0.04 0.00 0.00 177.00 178.21 2kkg n HIS 77 N -0.80 0.14 0.00 0.56 -0.00 -1.26 -4.80 115.22 109.06 2kkg n HIS 77 Ca 0.09 0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.32 2kkg n HIS 77 Cb 0.47 -1.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.32 2kkg n HIS 77 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kkg n GLY 78 N 1.77 0.00 2.98 1.57 0.00 -1.26 -5.06 105.19 105.19 2kkg n GLY 78 Ca -0.32 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.89 -1.28 0.01 -0.02 0.00 -1.26 -5.15 107.32 95.72 2kkg s GLY 79 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.16 2kkg s GLY 79 CO 0.00 4.13 0.00 0.61 0.00 0.00 0.00 173.10 177.84 2kkg n GLY 80 N 4.38 -1.07 0.27 0.20 0.00 -1.26 -5.00 105.19 102.72 2kkg n GLY 80 Ca 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.86 -0.12 -0.45 1.61 4.27 -1.26 -4.48 117.44 115.15 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 0.02 0.07 0.09 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 0.30 3.65 3.85 -1.67 0.00 -1.26 -5.04 105.19 105.02 2kkg n GLY 82 Ca 0.00 -0.50 -0.32 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 -1.75 3.91 0.41 1.61 -2.07 -1.26 -4.99 119.66 115.51 2kkg s GLN 83 Ca 0.17 0.85 -0.25 0.00 -1.82 0.00 0.00 55.36 54.30 2kkg s GLN 83 Cb 0.14 -2.19 -0.08 0.00 -1.09 0.00 0.00 33.01 29.78 2kkg s GLN 83 CO 0.04 -0.23 1.26 -1.25 -1.32 0.00 0.00 175.29 173.79 2kkg s PRO 84 N -4.04 3.95 -0.16 9.60 0.04 -1.26 -4.96 135.00 138.16 2kkg s PRO 84 Ca 0.57 2.05 0.15 0.00 0.04 0.00 0.00 61.00 63.81 2kkg s PRO 84 Cb -0.10 -2.70 -0.24 0.00 0.04 0.00 0.00 34.50 31.50 2kkg s PRO 84 CO 0.32 -0.47 0.20 0.72 0.04 0.00 0.00 177.00 177.80 2kkg n HIS 85 N 0.04 0.27 0.00 0.56 8.25 -1.26 -4.78 115.22 118.30 2kkg n HIS 85 Ca 0.04 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2kkg n HIS 85 Cb 0.45 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.51 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 1.74 0.00 3.01 -1.41 0.00 -1.26 -5.06 105.19 102.21 2kkg n GLY 86 Ca -0.30 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.88 -1.16 0.00 -0.02 0.00 -1.26 -5.15 107.32 95.85 2kkg s GLY 87 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 44.72 46.51 2kkg s GLY 87 CO 0.00 4.18 0.00 0.61 0.00 0.00 0.00 173.10 177.89 2kkg n GLY 88 N 4.57 -0.81 0.68 0.20 0.00 -1.26 -4.99 105.19 103.58 2kkg n GLY 88 Ca 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.87 -0.35 -0.01 1.61 4.27 -1.26 -4.52 117.44 115.31 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 0.17 -0.06 0.00 -1.36 0.00 0.00 31.31 30.06 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 -5.18 105.19 96.93 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