#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 -0.06 3.48 5.87 0.00 -1.26 -5.16 105.19 108.06 2kkg n GLY 58 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 0.06 1.12 0.56 1.61 -2.07 -1.26 -5.16 119.66 114.51 2kkg s GLN 59 Ca 0.06 -0.06 -0.19 0.00 -1.82 0.00 0.00 55.36 53.35 2kkg s GLN 59 Cb 0.15 0.52 -0.05 0.00 -1.09 0.00 0.00 33.01 32.54 2kkg s GLN 59 CO -0.04 -0.42 1.13 -1.25 -1.32 0.00 0.00 175.29 173.40 2kkg s PRO 60 N -2.29 3.29 -0.11 9.60 0.04 -1.26 -4.98 135.00 139.29 2kkg s PRO 60 Ca -0.05 1.60 0.13 0.00 0.04 0.00 0.00 61.00 62.72 2kkg s PRO 60 Cb -0.00 -2.00 -0.24 0.00 0.04 0.00 0.00 34.50 32.30 2kkg s PRO 60 CO -0.00 -0.90 0.39 -2.39 0.04 0.00 0.00 177.00 174.14 2kkg n HIS 61 N -1.42 0.61 -2.08 0.56 1.44 -1.26 -4.78 115.22 108.29 2kkg n HIS 61 Ca 0.12 0.21 -0.03 0.00 -2.01 0.00 0.00 57.72 56.01 2kkg n HIS 61 Cb 0.51 -1.11 0.00 0.00 0.12 0.00 0.00 29.99 29.51 2kkg n HIS 61 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kkg n GLY 62 N 1.68 0.27 0.00 -1.39 0.00 -1.26 -5.07 105.19 99.41 2kkg n GLY 62 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.32 -2.32 0.00 -0.02 0.00 -1.26 -5.18 105.19 96.09 2kkg n GLY 63 Ca -0.13 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -0.35 2.34 0.21 -0.02 0.00 -1.26 -4.94 105.19 101.18 2kkg n GLY 64 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.09 -0.37 1.61 4.27 -1.26 -4.60 117.44 117.00 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 0.05 0.08 0.00 -1.36 0.00 0.00 31.31 30.09 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 0.35 3.49 3.84 -1.67 0.00 -1.26 -5.04 105.19 104.89 2kkg n GLY 66 Ca 0.00 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.60 3.91 0.58 1.61 -2.07 -1.26 -4.95 119.66 115.89 2kkg s GLN 67 Ca 0.15 0.97 -0.19 0.00 -1.82 0.00 0.00 55.36 54.48 2kkg s GLN 67 Cb 0.12 -2.13 -0.04 0.00 -1.09 0.00 0.00 33.01 29.87 2kkg s GLN 67 CO 0.04 -0.30 1.15 -1.25 -1.32 0.00 0.00 175.29 173.61 2kkg s PRO 68 N -4.08 3.15 -0.14 9.60 0.04 -1.26 -4.98 135.00 137.34 2kkg s PRO 68 Ca 0.59 1.63 0.15 0.00 0.04 0.00 0.00 61.00 63.42 2kkg s PRO 68 Cb -0.10 -1.97 -0.24 0.00 0.04 0.00 0.00 34.50 32.22 2kkg s PRO 68 CO 0.32 -1.02 0.31 1.58 0.04 0.00 0.00 177.00 178.23 2kkg n HIS 69 N -1.57 0.41 -2.40 0.56 -0.00 -1.26 -4.79 115.22 106.17 2kkg n HIS 69 Ca 0.12 0.15 -0.02 0.00 0.46 0.00 0.00 57.72 58.43 2kkg n HIS 69 Cb 0.51 -1.08 0.04 0.00 -0.12 0.00 0.00 29.99 29.34 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 1.68 0.38 0.00 1.57 0.00 -1.26 -5.07 105.19 102.49 2kkg n GLY 70 Ca -0.27 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.59 -2.43 0.00 -0.02 0.00 -1.26 -5.17 105.19 95.71 2kkg n GLY 71 Ca -0.10 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 2.08 0.47 -0.02 0.00 -1.26 -4.95 105.19 101.51 2kkg n GLY 72 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.22 -0.01 1.61 4.27 -1.26 -4.59 117.44 117.24 2kkg n TRP 73 Ca 0.00 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.67 2kkg n TRP 73 Cb 0.00 0.12 -0.10 0.00 -1.36 0.00 0.00 31.31 29.96 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 0.29 -0.61 3.69 -1.67 0.00 -1.26 -5.02 105.19 100.62 2kkg n GLY 74 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.97 0.42 -1.85 1.61 10.64 -1.26 -4.96 117.38 120.02 2kkg n GLN 75 Ca -0.03 0.22 -0.34 0.00 -1.83 0.00 0.00 57.00 55.02 2kkg n GLN 75 Cb 0.35 -2.44 0.04 0.00 -0.86 0.00 0.00 30.24 27.33 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 -3.88 2.82 -0.15 2.61 0.04 -1.26 -4.98 135.00 130.20 2kkg s PRO 76 Ca 0.76 1.60 0.11 0.00 0.04 0.00 0.00 61.00 63.51 2kkg s PRO 76 Cb -0.32 -1.93 -0.17 0.00 0.04 0.00 0.00 34.50 32.12 2kkg s PRO 76 CO 0.48 -1.28 0.02 1.58 0.04 0.00 0.00 177.00 177.85 2kkg n HIS 77 N -2.07 0.00 -1.95 0.56 -0.00 -1.26 -4.65 115.22 105.85 2kkg n HIS 77 Ca 0.12 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.35 2kkg n HIS 77 Cb 0.51 -0.71 0.13 0.00 -0.12 0.00 0.00 29.99 29.79 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 2.17 3.35 0.19 1.57 0.00 -1.26 -5.03 105.19 106.18 2kkg n GLY 78 Ca -0.25 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.45 -0.38 6.96 -0.02 0.00 -1.26 -5.04 105.19 105.00 2kkg n GLY 79 Ca 0.13 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.41 -1.02 0.34 -0.02 0.00 -1.26 -4.99 105.19 98.64 2kkg n GLY 80 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.85 -0.15 -0.37 1.61 4.27 -1.26 -4.43 117.44 115.25 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 0.09 0.12 0.00 -1.36 0.00 0.00 31.31 30.16 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 0.32 3.34 3.91 -1.67 0.00 -1.26 -5.02 105.19 104.81 2kkg n GLY 82 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.55 3.61 0.56 1.61 -2.07 -1.26 -5.07 119.66 115.49 2kkg s GLN 83 Ca 0.20 -0.07 -0.20 0.00 -1.82 0.00 0.00 55.36 53.47 2kkg s GLN 83 Cb 0.14 -2.70 -0.05 0.00 -1.09 0.00 0.00 33.01 29.31 2kkg s GLN 83 CO 0.08 0.28 1.21 -1.25 -1.32 0.00 0.00 175.29 174.28 2kkg s PRO 84 N -3.42 3.18 -0.20 9.60 0.04 -1.26 -4.97 135.00 137.97 2kkg s PRO 84 Ca 0.43 1.85 0.17 0.00 0.04 0.00 0.00 61.00 63.48 2kkg s PRO 84 Cb -0.11 -2.06 -0.24 0.00 0.04 0.00 0.00 34.50 32.13 2kkg s PRO 84 CO 0.29 -1.05 0.05 0.72 0.04 0.00 0.00 177.00 177.05 2kkg n HIS 85 N -1.29 0.00 -0.04 0.56 8.25 -1.26 -4.63 115.22 116.82 2kkg n HIS 85 Ca 0.12 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.55 2kkg n HIS 85 Cb 0.49 -0.98 -0.08 0.00 1.12 0.00 0.00 29.99 30.54 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 1.80 -0.47 0.00 -1.41 0.00 -1.26 -5.01 105.19 98.84 2kkg n GLY 86 Ca -0.33 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 2.31 0.43 0.00 -0.02 0.00 -1.26 -5.16 105.19 101.49 2kkg n GLY 87 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 3.61 0.23 -0.02 0.00 -1.26 -4.79 105.19 102.96 2kkg n GLY 88 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.10 -2.03 1.61 4.27 -1.26 -4.50 117.44 115.43 2kkg n TRP 89 Ca 0.00 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.62 2kkg n TRP 89 Cb 0.00 0.06 0.02 0.00 -1.36 0.00 0.00 31.31 30.02 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 0.33 0.93 0.00 -1.67 0.00 -1.26 -5.20 105.19 98.32 2kkg n GLY 90 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.84 2kkg n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26