#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 0.09 -3.16 5.87 0.00 -2.10 -3.49 103.07 100.28 2kkg h GLY 58 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 47.33 47.39 2kkg h GLY 58 CO 0.00 0.07 -0.86 0.61 0.00 0.00 0.00 176.54 176.36 2kkg n GLN 59 N -4.11 -2.85 -2.32 4.80 10.64 -1.26 -4.82 117.38 117.47 2kkg n GLN 59 Ca -0.02 2.27 -0.39 0.00 -1.83 0.00 0.00 57.00 57.03 2kkg n GLN 59 Cb 0.40 -3.15 -0.03 0.00 -0.86 0.00 0.00 30.24 26.61 2kkg n GLN 59 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2kkg s PRO 60 N -4.81 4.26 -0.18 2.61 0.04 -1.26 -4.96 135.00 130.70 2kkg s PRO 60 Ca 0.00 1.89 0.18 0.00 0.04 0.00 0.00 61.00 63.11 2kkg s PRO 60 Cb 0.00 -2.87 -0.26 0.00 0.04 0.00 0.00 34.50 31.41 2kkg s PRO 60 CO 0.00 -0.15 0.11 1.58 0.04 0.00 0.00 177.00 178.58 2kkg n HIS 61 N 0.49 0.00 -1.88 0.56 -0.00 -1.26 -4.55 115.22 108.58 2kkg n HIS 61 Ca 0.02 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.25 2kkg n HIS 61 Cb 0.45 -0.94 0.11 0.00 -0.12 0.00 0.00 29.99 29.50 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 1.70 3.20 0.04 1.57 0.00 -1.26 -5.04 105.19 105.41 2kkg n GLY 62 Ca -0.30 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.49 0.00 6.50 -0.02 0.00 -1.26 -5.05 105.19 104.87 2kkg n GLY 63 Ca 0.12 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.37 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 0.68 -0.90 0.21 -0.02 0.00 -1.26 -4.99 105.19 98.91 2kkg n GLY 64 Ca 0.00 -0.90 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 -1.97 -0.08 -0.35 1.61 4.27 -1.26 -4.48 117.44 115.17 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 0.05 0.05 0.14 0.00 -1.36 0.00 0.00 31.31 30.20 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 0.37 3.18 3.93 -1.67 0.00 -1.26 -5.01 105.19 104.73 2kkg n GLY 66 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.46 3.48 0.72 1.61 -2.07 -1.26 -5.08 119.66 115.59 2kkg s GLN 67 Ca 0.23 -0.46 -0.14 0.00 -1.82 0.00 0.00 55.36 53.16 2kkg s GLN 67 Cb 0.15 -2.92 0.03 0.00 -1.09 0.00 0.00 33.01 29.18 2kkg s GLN 67 CO 0.11 0.49 1.16 -1.25 -1.32 0.00 0.00 175.29 174.47 2kkg s PRO 68 N -3.15 2.33 -0.11 9.60 0.04 -1.26 -4.98 135.00 137.47 2kkg s PRO 68 Ca 0.36 1.57 0.09 0.00 0.04 0.00 0.00 61.00 63.06 2kkg s PRO 68 Cb -0.11 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 2kkg s PRO 68 CO 0.28 -1.65 0.03 1.58 0.04 0.00 0.00 177.00 177.29 2kkg n HIS 69 N -2.73 0.00 -2.07 0.56 -0.00 -1.26 -4.72 115.22 104.99 2kkg n HIS 69 Ca 0.12 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.34 2kkg n HIS 69 Cb 0.51 -0.52 0.06 0.00 -0.12 0.00 0.00 29.99 29.92 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 2.38 2.00 0.00 1.57 0.00 -1.26 -5.05 105.19 104.84 2kkg n GLY 70 Ca -0.18 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.11 0.97 4.89 -0.02 0.00 -1.26 -5.08 105.19 104.59 2kkg n GLY 71 Ca 0.08 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.40 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 0.52 -1.21 0.23 -0.02 0.00 -1.26 -5.00 105.19 98.46 2kkg n GLY 72 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.70 -0.08 -0.01 1.61 4.27 -1.26 -4.40 117.44 114.87 2kkg n TRP 73 Ca 0.00 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.68 2kkg n TRP 73 Cb 0.24 0.06 -0.12 0.00 -1.36 0.00 0.00 31.31 30.13 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 0.46 -0.70 3.70 -1.67 0.00 -1.26 -5.01 105.19 100.71 2kkg n GLY 74 Ca 0.00 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.08 0.45 -2.23 1.61 10.64 -1.26 -4.94 117.38 119.58 2kkg n GLN 75 Ca -0.05 0.23 -0.41 0.00 -1.83 0.00 0.00 57.00 54.94 2kkg n GLN 75 Cb 0.45 -2.46 -0.03 0.00 -0.86 0.00 0.00 30.24 27.35 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 4.45 -0.11 2.61 0.04 -1.26 -4.96 135.00 131.89 2kkg s PRO 76 Ca 0.76 2.08 0.12 0.00 0.04 0.00 0.00 61.00 64.01 2kkg s PRO 76 Cb -0.32 -3.11 -0.24 0.00 0.04 0.00 0.00 34.50 30.87 2kkg s PRO 76 CO 0.48 -0.07 0.41 1.58 0.04 0.00 0.00 177.00 179.44 2kkg n HIS 77 N 1.00 0.66 0.00 0.56 -0.00 -1.26 -4.74 115.22 111.44 2kkg n HIS 77 Ca -0.00 0.22 0.00 0.00 0.46 0.00 0.00 57.72 58.40 2kkg n HIS 77 Cb 0.43 -1.12 0.00 0.00 -0.12 0.00 0.00 29.99 29.18 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 1.68 0.00 3.04 1.57 0.00 -1.26 -5.06 105.19 105.16 2kkg n GLY 78 Ca -0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.81 -1.09 0.06 -0.02 0.00 -1.26 -5.15 107.32 96.05 2kkg s GLY 79 Ca 0.00 1.96 0.00 0.00 0.00 0.00 0.00 44.72 46.68 2kkg s GLY 79 CO 0.00 4.20 0.00 0.61 0.00 0.00 0.00 173.10 177.91 2kkg n GLY 80 N 4.67 -1.09 0.53 0.20 0.00 -1.26 -5.00 105.19 103.24 2kkg n GLY 80 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.41 -0.24 -0.02 1.61 4.27 -1.26 -4.53 117.44 114.87 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 0.12 0.13 -0.11 0.00 -1.36 0.00 0.00 31.31 30.09 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 0.33 -0.67 3.70 -1.67 0.00 -1.26 -5.01 105.19 100.61 2kkg n GLY 82 Ca 0.00 -0.33 -0.35 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 -2.09 0.48 -1.29 1.61 10.64 -1.26 -4.97 117.38 120.49 2kkg n GLN 83 Ca -0.06 0.23 -0.32 0.00 -1.83 0.00 0.00 57.00 55.03 2kkg n GLN 83 Cb 0.47 -2.47 0.10 0.00 -0.86 0.00 0.00 30.24 27.48 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 -3.88 2.14 -0.17 2.61 0.04 -1.26 -4.99 135.00 129.49 2kkg s PRO 84 Ca 0.77 1.37 0.15 0.00 0.04 0.00 0.00 61.00 63.32 2kkg s PRO 84 Cb -0.32 -1.87 -0.24 0.00 0.04 0.00 0.00 34.50 32.11 2kkg s PRO 84 CO 0.47 -1.76 0.18 0.72 0.04 0.00 0.00 177.00 176.65 2kkg n HIS 85 N -3.30 0.24 -0.03 0.56 8.25 -1.26 -4.63 115.22 115.06 2kkg n HIS 85 Ca 0.10 0.08 -0.03 0.00 -0.26 0.00 0.00 57.72 57.62 2kkg n HIS 85 Cb 0.52 -1.04 -0.05 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 1.75 -0.31 0.00 -1.41 0.00 -1.26 -5.01 105.19 98.95 2kkg n GLY 86 Ca -0.30 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 2.56 0.41 0.00 -0.02 0.00 -1.26 -5.16 105.19 101.72 2kkg n GLY 87 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 3.13 0.40 -0.02 0.00 -1.26 -4.80 105.19 102.65 2kkg n GLY 88 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.18 -1.49 1.61 4.27 -1.26 -4.39 117.44 115.99 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 0.10 0.03 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 0.31 1.22 0.00 -1.67 0.00 -1.26 -5.20 105.19 98.59 2kkg n GLY 90 Ca 0.00 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.88 2kkg n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93