#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 1.49 3.17 5.87 0.00 -1.26 -5.14 105.19 109.32 2kkg n GLY 58 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.83 0.27 1.61 -2.07 -1.26 -5.14 119.66 113.90 2kkg s GLN 59 Ca 0.00 -1.09 -0.29 0.00 -1.82 0.00 0.00 55.36 52.16 2kkg s GLN 59 Cb 0.00 -0.62 -0.09 0.00 -1.09 0.00 0.00 33.01 31.21 2kkg s GLN 59 CO 0.00 0.11 1.22 -1.25 -1.32 0.00 0.00 175.29 174.05 2kkg s PRO 60 N -2.43 4.48 -0.40 9.60 0.04 -1.26 -5.01 135.00 140.01 2kkg s PRO 60 Ca 0.03 2.00 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 2kkg s PRO 60 Cb -0.05 -3.16 0.07 0.00 0.04 0.00 0.00 34.50 31.40 2kkg s PRO 60 CO 0.01 -0.05 0.22 -1.01 0.04 0.00 0.00 177.00 176.21 2kkg s HIS 61 N -0.75 3.35 0.00 0.56 3.76 -1.26 -4.49 115.29 116.46 2kkg s HIS 61 Ca 0.49 -1.60 0.00 0.00 -0.15 0.00 0.00 55.06 53.80 2kkg s HIS 61 Cb -0.36 -2.84 0.00 0.00 1.11 0.00 0.00 32.58 30.49 2kkg s HIS 61 CO 0.44 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 173.90 2kkg n GLY 62 N 4.86 2.47 0.00 -2.22 0.00 -1.26 -4.84 105.19 104.20 2kkg n GLY 62 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.42 7.00 -0.02 0.00 -1.26 -5.14 105.19 106.19 2kkg n GLY 63 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.50 0.26 -0.02 0.00 -1.26 -4.94 105.19 99.73 2kkg n GLY 64 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.27 0.00 -0.02 1.61 4.27 -1.26 -4.23 117.44 117.54 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 0.06 -0.11 0.00 -1.36 0.00 0.00 31.31 29.90 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 1.44 -0.68 3.71 -1.67 0.00 -1.26 -5.01 105.19 101.73 2kkg n GLY 66 Ca 0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.90 2.01 0.67 1.61 -2.07 -1.26 -4.93 119.66 112.79 2kkg s GLN 67 Ca -0.06 1.82 -0.16 0.00 -1.82 0.00 0.00 55.36 55.14 2kkg s GLN 67 Cb 0.08 -1.81 0.00 0.00 -1.09 0.00 0.00 33.01 30.20 2kkg s GLN 67 CO 0.61 -1.95 1.18 -1.25 -1.32 0.00 0.00 175.29 172.55 2kkg s PRO 68 N -3.90 2.59 -0.19 9.60 0.04 -1.26 -4.98 135.00 136.91 2kkg s PRO 68 Ca 0.75 1.66 0.16 0.00 0.04 0.00 0.00 61.00 63.62 2kkg s PRO 68 Cb -0.31 -1.90 -0.22 0.00 0.04 0.00 0.00 34.50 32.11 2kkg s PRO 68 CO 0.46 -1.46 0.05 -2.39 0.04 0.00 0.00 177.00 173.70 2kkg n HIS 69 N -2.28 0.00 -2.14 0.56 1.44 -1.26 -4.87 115.22 106.67 2kkg n HIS 69 Ca 0.13 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.83 2kkg n HIS 69 Cb 0.51 -0.91 0.00 0.00 0.12 0.00 0.00 29.99 29.71 2kkg n HIS 69 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kkg n GLY 70 N 1.88 -0.61 0.88 -1.39 0.00 -1.26 -5.05 105.19 99.64 2kkg n GLY 70 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.08 -1.81 0.00 -0.02 0.00 -1.26 -5.18 105.19 96.83 2kkg n GLY 71 Ca -0.02 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.35 -0.52 0.41 -0.02 0.00 -1.26 -5.05 105.19 97.39 2kkg n GLY 72 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 5.70 -0.16 -0.02 1.61 4.27 -1.26 -4.60 117.44 122.98 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 -0.13 0.00 -1.36 0.00 0.00 31.31 29.92 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 0.42 -0.76 3.74 -1.67 0.00 -1.26 -5.00 105.19 100.66 2kkg n GLY 74 Ca 0.00 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.07 2.50 0.57 1.61 -2.07 -1.26 -4.92 119.66 113.02 2kkg s GLN 75 Ca -0.06 1.62 -0.20 0.00 -1.82 0.00 0.00 55.36 54.90 2kkg s GLN 75 Cb 0.10 -1.89 -0.04 0.00 -1.09 0.00 0.00 33.01 30.08 2kkg s GLN 75 CO 0.69 -1.53 1.22 -1.25 -1.32 0.00 0.00 175.29 173.10 2kkg s PRO 76 N -3.91 3.11 0.00 9.60 0.04 -1.26 -4.95 135.00 137.63 2kkg s PRO 76 Ca 0.72 1.87 0.20 0.00 0.04 0.00 0.00 61.00 63.83 2kkg s PRO 76 Cb -0.26 -2.04 0.43 0.00 0.04 0.00 0.00 34.50 32.67 2kkg s PRO 76 CO 0.42 -1.11 1.36 1.58 0.04 0.00 0.00 177.00 179.30 2kkg n HIS 77 N -1.36 0.56 0.00 0.56 -0.00 -1.26 -4.84 115.22 108.88 2kkg n HIS 77 Ca 0.12 -0.33 0.00 0.00 0.46 0.00 0.00 57.72 57.97 2kkg n HIS 77 Cb 0.49 -0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 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 1.31 0.40 0.00 1.57 0.00 -1.26 -5.06 105.19 102.14 2kkg n GLY 78 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.11 0.00 -0.02 0.00 -1.26 -5.17 105.19 98.85 2kkg n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.70 1.79 0.28 -0.02 0.00 -1.26 -4.99 105.19 104.69 2kkg n GLY 80 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 -0.09 -0.21 1.61 4.27 -1.26 -4.61 117.44 117.15 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 0.00 0.07 0.13 0.00 -1.36 0.00 0.00 31.31 30.15 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 0.52 2.94 3.92 -1.67 0.00 -1.26 -5.01 105.19 104.63 2kkg n GLY 82 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.16 3.53 0.36 1.61 -2.07 -1.26 -5.07 119.66 115.60 2kkg s GLN 83 Ca 0.20 -0.30 -0.27 0.00 -1.82 0.00 0.00 55.36 53.16 2kkg s GLN 83 Cb 0.11 -2.82 -0.09 0.00 -1.09 0.00 0.00 33.01 29.12 2kkg s GLN 83 CO 0.12 0.38 1.27 -1.25 -1.32 0.00 0.00 175.29 174.49 2kkg s PRO 84 N -3.35 4.22 -0.14 9.60 0.04 -1.26 -4.96 135.00 139.15 2kkg s PRO 84 Ca 0.39 2.11 0.15 0.00 0.04 0.00 0.00 61.00 63.68 2kkg s PRO 84 Cb -0.11 -2.93 -0.24 0.00 0.04 0.00 0.00 34.50 31.26 2kkg s PRO 84 CO 0.29 -0.26 0.30 0.72 0.04 0.00 0.00 177.00 178.09 2kkg n HIS 85 N 0.52 0.43 0.00 0.56 8.25 -1.26 -4.78 115.22 118.94 2kkg n HIS 85 Ca 0.02 0.15 -0.01 0.00 -0.26 0.00 0.00 57.72 57.61 2kkg n HIS 85 Cb 0.43 -1.08 -0.00 0.00 1.12 0.00 0.00 29.99 30.46 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 1.70 -0.03 2.84 -1.41 0.00 -1.26 -5.05 105.19 101.97 2kkg n GLY 86 Ca -0.27 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.81 -1.53 0.01 -0.02 0.00 -1.26 -5.15 107.32 94.56 2kkg s GLY 87 Ca -0.02 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.66 2kkg s GLY 87 CO 0.03 4.17 0.00 0.61 0.00 0.00 0.00 173.10 177.91 2kkg n GLY 88 N 3.69 -1.53 0.25 0.20 0.00 -1.26 -5.01 105.19 101.53 2kkg n GLY 88 Ca 0.08 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.16 -0.11 -2.04 1.61 4.27 -1.26 -4.60 117.44 114.15 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 0.02 0.06 0.02 0.00 -1.36 0.00 0.00 31.31 30.05 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 0.94 0.00 -1.67 0.00 -1.26 -5.20 105.19 98.29 2kkg n GLY 90 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.83 2kkg n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26