#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkg h GLY 58 N 0.00 0.00 -3.89 5.87 0.00 -2.09 -3.42 103.07 99.54 2kkg h GLY 58 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 2kkg h GLY 58 CO 0.00 0.00 -0.73 -0.86 0.00 0.00 0.00 176.54 174.95 2kkg s GLN 59 N -4.77 0.78 0.56 4.80 -2.07 -1.26 -5.14 119.66 112.56 2kkg s GLN 59 Ca -0.05 -1.08 -0.20 0.00 -1.82 0.00 0.00 55.36 52.21 2kkg s GLN 59 Cb 0.16 -0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 31.55 2kkg s GLN 59 CO 0.60 0.08 1.18 -1.25 -1.32 0.00 0.00 175.29 174.58 2kkg s PRO 60 N -2.57 3.20 -0.17 9.60 0.04 -1.26 -4.97 135.00 138.87 2kkg s PRO 60 Ca 0.03 1.76 0.16 0.00 0.04 0.00 0.00 61.00 62.98 2kkg s PRO 60 Cb -0.04 -2.02 -0.24 0.00 0.04 0.00 0.00 34.50 32.24 2kkg s PRO 60 CO -0.00 -1.01 0.18 1.58 0.04 0.00 0.00 177.00 177.79 2kkg n HIS 61 N -1.34 0.22 -0.03 0.56 -0.00 -1.26 -4.62 115.22 108.75 2kkg n HIS 61 Ca 0.12 0.08 -0.02 0.00 0.46 0.00 0.00 57.72 58.36 2kkg n HIS 61 Cb 0.50 -1.04 -0.05 0.00 -0.12 0.00 0.00 29.99 29.27 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 1.74 -0.33 0.00 1.57 0.00 -1.26 -5.03 105.19 101.88 2kkg n GLY 62 Ca -0.30 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 2.50 -0.71 0.00 -0.02 0.00 -1.26 -5.16 105.19 100.53 2kkg n GLY 63 Ca -0.09 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 4.40 0.39 -0.02 0.00 -1.26 -4.72 105.19 103.98 2kkg n GLY 64 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.18 -0.01 1.61 4.27 -1.26 -4.51 117.44 117.36 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 0.10 -0.08 0.00 -1.36 0.00 0.00 31.31 29.97 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 0.29 -0.48 3.71 -1.67 0.00 -1.26 -5.02 105.19 100.76 2kkg n GLY 66 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.67 2.04 0.65 1.61 -2.07 -1.26 -4.94 119.66 113.01 2kkg s GLN 67 Ca -0.04 1.84 -0.17 0.00 -1.82 0.00 0.00 55.36 55.17 2kkg s GLN 67 Cb 0.06 -1.81 -0.02 0.00 -1.09 0.00 0.00 33.01 30.15 2kkg s GLN 67 CO 0.43 -1.93 1.07 -0.35 -1.32 0.00 0.00 175.29 173.20 2kkg n PRO 68 N -2.74 0.86 0.00 9.60 -0.04 -1.26 -4.95 135.00 136.46 2kkg n PRO 68 Ca 0.14 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 2kkg n PRO 68 Cb 0.50 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2kkg n PRO 68 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2kkg n HIS 69 N -2.02 0.00 -2.17 0.54 -0.00 -1.26 -4.78 115.22 105.53 2kkg n HIS 69 Ca 0.14 -0.17 -0.00 0.00 0.46 0.00 0.00 57.72 58.15 2kkg n HIS 69 Cb 0.48 -0.02 -0.01 0.00 -0.12 0.00 0.00 29.99 30.33 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 -0.17 0.76 0.32 1.57 0.00 -1.26 -4.98 105.19 101.43 2kkg n GLY 70 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.17 1.28 0.00 -0.02 0.00 -1.26 -4.98 105.19 100.37 2kkg n GLY 71 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.64 0.67 0.04 -0.02 0.00 -1.26 -4.86 105.19 98.12 2kkg n GLY 72 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 3.31 -0.01 -0.59 1.61 4.27 -1.26 -4.29 117.44 120.47 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 0.01 0.19 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 0.54 3.51 3.75 -1.67 0.00 -1.26 -5.00 105.19 105.05 2kkg n GLY 74 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.95 2.73 0.50 1.61 -2.07 -1.26 -5.05 119.66 114.17 2kkg s GLN 75 Ca 0.30 -0.92 -0.22 0.00 -1.82 0.00 0.00 55.36 52.70 2kkg s GLN 75 Cb 0.22 -2.56 -0.06 0.00 -1.09 0.00 0.00 33.01 29.52 2kkg s GLN 75 CO 0.11 0.49 1.24 -1.25 -1.32 0.00 0.00 175.29 174.55 2kkg s PRO 76 N -2.94 3.46 -0.21 9.60 0.04 -1.26 -4.96 135.00 138.74 2kkg s PRO 76 Ca 0.29 1.95 0.16 0.00 0.04 0.00 0.00 61.00 63.44 2kkg s PRO 76 Cb -0.10 -2.31 -0.24 0.00 0.04 0.00 0.00 34.50 31.89 2kkg s PRO 76 CO 0.21 -0.85 0.04 1.58 0.04 0.00 0.00 177.00 178.02 2kkg n HIS 77 N -0.79 0.00 -0.01 0.56 -0.00 -1.26 -4.72 115.22 109.00 2kkg n HIS 77 Ca 0.09 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.26 2kkg n HIS 77 Cb 0.47 -1.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.33 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 1.81 -0.04 1.96 1.57 0.00 -1.26 -5.05 105.19 104.18 2kkg n GLY 78 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 3.16 -1.82 0.00 -0.02 0.00 -1.26 -5.17 105.19 100.07 2kkg n GLY 79 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.48 5.38 0.40 -0.02 0.00 -1.26 -4.73 105.19 103.48 2kkg n GLY 80 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.15 -0.02 1.61 4.27 -1.26 -4.46 117.44 117.43 2kkg n TRP 81 Ca 0.00 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.67 2kkg n TRP 81 Cb 0.00 0.10 -0.13 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 0.45 -0.79 3.73 -1.67 0.00 -1.26 -5.00 105.19 100.64 2kkg n GLY 82 Ca 0.00 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.05 2.37 0.87 1.61 -2.07 -1.26 -4.98 119.66 113.16 2kkg s GLN 83 Ca -0.07 1.94 -0.10 0.00 -1.82 0.00 0.00 55.36 55.31 2kkg s GLN 83 Cb 0.10 -1.84 0.12 0.00 -1.09 0.00 0.00 33.01 30.30 2kkg s GLN 83 CO 0.71 -1.70 1.12 -1.25 -1.32 0.00 0.00 175.29 172.84 2kkg s PRO 84 N -3.59 1.40 -0.30 9.60 0.04 -1.26 -5.01 135.00 135.88 2kkg s PRO 84 Ca 0.79 1.32 0.02 0.00 0.04 0.00 0.00 61.00 63.17 2kkg s PRO 84 Cb -0.34 -1.79 0.07 0.00 0.04 0.00 0.00 34.50 32.49 2kkg s PRO 84 CO 0.42 -2.29 -0.02 -3.38 0.04 0.00 0.00 177.00 171.76 2kkg s HIS 85 N -2.76 3.43 0.00 0.56 -3.43 -1.24 -4.65 115.29 107.20 2kkg s HIS 85 Ca 0.64 -2.43 0.00 0.00 -0.80 0.00 0.00 55.06 52.47 2kkg s HIS 85 Cb -0.20 -2.33 0.00 0.00 -1.43 0.00 0.00 32.58 28.62 2kkg s HIS 85 CO 0.57 -0.89 0.00 0.41 -2.00 0.00 0.00 174.74 172.83 2kkg n GLY 86 N 4.43 3.06 0.00 -1.38 0.00 -1.26 -4.76 105.19 105.28 2kkg n GLY 86 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.78 0.52 7.00 -0.02 0.00 -1.26 -5.14 105.19 105.51 2kkg n GLY 87 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.95 0.26 -0.02 0.00 -1.26 -4.93 105.19 100.19 2kkg n GLY 88 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 -0.04 -0.01 1.61 4.27 -1.26 -3.72 117.44 118.29 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 0.00 0.07 -0.06 0.00 -1.36 0.00 0.00 31.31 29.96 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 0.79 -0.34 0.00 -1.67 0.00 -1.26 -5.14 105.19 97.57 2kkg n GLY 90 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.85 2kkg n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93