#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k81 h ILE 109 N 0.00 0.50 -0.87 2.52 2.04 -2.04 0.51 117.51 120.18 1k81 h ILE 109 Ca 0.00 -0.01 -0.57 0.00 1.00 0.00 0.00 64.86 65.28 1k81 h ILE 109 Cb 0.00 0.47 -0.25 0.00 -0.74 0.00 0.00 36.82 36.29 1k81 h ILE 109 CO 0.00 0.01 0.73 0.00 0.00 0.00 0.00 178.15 178.89 1k81 n ARG 111 N -0.65 0.67 -0.97 0.00 0.00 0.17 -4.19 116.66 111.69 1k81 n ARG 111 Ca 0.54 0.13 -0.17 0.00 -0.00 0.00 0.00 57.85 58.35 1k81 n ARG 111 Cb 0.79 -1.64 0.16 0.00 0.00 0.00 0.00 32.46 31.77 1k81 n ARG 111 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1k81 n GLU 112 N -2.91 2.22 -2.98 -0.14 1.02 -1.26 -4.89 120.64 111.71 1k81 n GLU 112 Ca -0.27 -2.45 -0.43 0.00 -0.02 0.00 0.00 57.16 54.00 1k81 n GLU 112 Cb 1.11 -1.97 -0.05 0.00 -0.02 0.00 0.00 31.44 30.50 1k81 n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k81 n GLY 114 N 5.01 4.71 3.86 0.00 0.00 -1.26 -4.72 105.19 112.79 1k81 n GLY 114 Ca 0.01 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 1k81 n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k81 n LYS 115 N 3.07 -0.77 0.00 1.61 5.02 -1.26 -4.98 118.16 120.84 1k81 n LYS 115 Ca 0.66 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1k81 n LYS 115 Cb 0.26 -3.28 0.00 0.00 -0.02 0.00 0.00 35.03 31.99 1k81 n LYS 115 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1k81 n PRO 116 N -4.45 0.00 -4.38 1.97 -0.04 -1.26 -5.05 135.00 121.79 1k81 n PRO 116 Ca -0.11 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.14 1k81 n PRO 116 Cb 0.58 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.91 1k81 n PRO 116 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k81 s ASP 117 N -1.00 1.83 -0.06 3.54 1.01 -1.04 -5.07 116.67 115.88 1k81 s ASP 117 Ca 0.00 -0.49 0.03 0.00 0.71 0.00 0.00 52.55 52.80 1k81 s ASP 117 Cb 0.00 -0.12 0.01 0.00 1.01 0.00 0.00 42.92 43.82 1k81 s ASP 117 CO 0.00 0.05 -0.13 -0.89 0.21 0.00 0.00 175.17 174.41 1k81 s THR 118 N -0.89 1.13 -0.02 -1.27 2.01 -1.26 -2.08 115.64 113.26 1k81 s THR 118 Ca 0.02 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1k81 s THR 118 Cb -0.08 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1k81 s THR 118 CO 0.02 0.35 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.47 1k81 s LYS 119 N 0.50 0.69 -0.03 4.92 2.36 -0.95 -5.02 119.74 122.21 1k81 s LYS 119 Ca -0.11 -0.23 0.03 0.00 -2.55 0.00 0.00 55.97 53.11 1k81 s LYS 119 Cb -0.14 -0.67 -0.00 0.00 -1.05 0.00 0.00 37.83 35.97 1k81 s LYS 119 CO 0.03 0.10 -0.13 -1.50 1.55 0.00 0.00 175.35 175.40 1k81 s ILE 120 N 0.11 1.08 -0.02 5.43 1.10 -1.26 -2.03 121.20 125.60 1k81 s ILE 120 Ca -0.01 -0.53 0.03 0.00 -0.51 0.00 0.00 60.65 59.63 1k81 s ILE 120 Cb -0.06 -0.94 -0.00 0.00 0.15 0.00 0.00 42.46 41.61 1k81 s ILE 120 CO -0.00 0.32 -0.12 -0.51 -2.11 0.00 0.00 174.94 172.52 1k81 s ILE 121 N 0.06 0.98 -0.03 2.00 2.07 -0.94 -5.04 121.20 120.31 1k81 s ILE 121 Ca -0.02 -0.49 0.04 0.00 -1.41 0.00 0.00 60.65 58.76 1k81 s ILE 121 Cb -0.09 -0.85 -0.00 0.00 0.13 0.00 0.00 42.46 41.64 1k81 s ILE 121 CO 0.01 0.29 -0.13 -0.54 -1.91 0.00 0.00 174.94 172.66 1k81 s LYS 122 N 0.01 1.34 -0.02 3.50 1.02 -1.26 -1.89 119.74 122.44 1k81 s LYS 122 Ca -0.01 -0.47 0.03 0.00 0.02 0.00 0.00 55.97 55.54 1k81 s LYS 122 Cb -0.08 -1.22 -0.00 0.00 -0.52 0.00 0.00 37.83 36.01 1k81 s LYS 122 CO 0.01 0.21 -0.12 -1.21 -0.92 0.00 0.00 175.35 173.32 1k81 s GLU 123 N 0.02 1.14 4.47 1.68 0.41 -0.93 -5.01 118.70 120.48 1k81 s GLU 123 Ca -0.02 -0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.14 1k81 s GLU 123 Cb -0.09 -1.05 0.00 0.00 -1.78 0.00 0.00 34.13 31.21 1k81 s GLU 123 CO 0.01 0.18 0.00 0.41 -0.49 0.00 0.00 175.26 175.37 1k81 n GLY 124 N 3.12 0.83 1.69 -1.39 0.00 -1.26 -1.95 105.19 106.23 1k81 n GLY 124 Ca -0.17 0.55 0.01 0.00 0.00 0.00 0.00 46.02 46.42 1k81 n GLY 124 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1k81 n ARG 125 N 0.00 0.91 -4.33 1.61 0.00 -1.26 -5.05 116.66 108.54 1k81 n ARG 125 Ca 0.00 -2.71 -0.19 0.00 -0.00 0.00 0.00 57.85 54.95 1k81 n ARG 125 Cb 0.00 -0.79 -0.15 0.00 -0.00 0.00 0.00 32.46 31.52 1k81 n ARG 125 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1k81 s VAL 126 N -1.72 0.69 -0.09 8.89 1.01 -0.82 -4.97 120.40 123.39 1k81 s VAL 126 Ca 0.34 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1k81 s VAL 126 Cb 0.37 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1k81 s VAL 126 CO -0.11 0.21 -0.05 -1.00 0.00 0.00 0.00 175.10 174.15 1k81 s HIS 127 N 0.11 2.99 -0.03 5.22 3.76 -0.92 -2.20 115.29 124.22 1k81 s HIS 127 Ca -0.01 -0.03 0.04 0.00 -0.15 0.00 0.00 55.06 54.91 1k81 s HIS 127 Cb -0.07 -1.77 -0.00 0.00 1.11 0.00 0.00 32.58 31.84 1k81 s HIS 127 CO 0.00 0.27 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.51 1k81 s LEU 128 N -0.58 1.92 -0.08 0.89 1.02 -0.79 -1.79 118.68 119.28 1k81 s LEU 128 Ca 0.09 -0.29 0.02 0.00 0.02 0.00 0.00 54.13 53.97 1k81 s LEU 128 Cb -0.12 -0.81 -0.02 0.00 0.02 0.00 0.00 46.19 45.26 1k81 s LEU 128 CO 0.02 0.15 -0.14 -0.22 0.02 0.00 0.00 176.35 176.18 1k81 s LEU 129 N -0.07 2.73 -0.02 1.79 0.20 -1.00 -2.22 118.68 120.08 1k81 s LEU 129 Ca -0.00 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.61 1k81 s LEU 129 Cb -0.09 -1.57 -0.00 0.00 -0.43 0.00 0.00 46.19 44.09 1k81 s LEU 129 CO 0.01 0.28 -0.12 -0.75 -0.29 0.00 0.00 176.35 175.48 1k81 s LYS 130 N -0.36 1.15 -0.05 1.98 2.20 -0.86 -1.95 119.74 121.85 1k81 s LYS 130 Ca 0.04 -0.44 0.06 0.00 -0.36 0.00 0.00 55.97 55.26 1k81 s LYS 130 Cb -0.12 -1.08 -0.01 0.00 -1.51 0.00 0.00 37.83 35.11 1k81 s LYS 130 CO 0.02 0.22 -0.22 0.00 -0.36 0.00 0.00 175.35 175.01 1k81 s MET 132 N -0.12 3.58 0.00 0.00 1.75 -0.89 -2.64 119.30 120.98 1k81 s MET 132 Ca -0.03 -0.54 0.00 0.00 -1.25 0.00 0.00 55.69 53.88 1k81 s MET 132 Cb -0.13 -2.86 0.00 0.00 2.84 0.00 0.00 34.83 34.68 1k81 s MET 132 CO 0.03 0.27 0.00 0.00 -0.65 0.00 0.00 175.02 174.67 1k81 n ALA 133 N 3.43 0.00 0.46 4.11 0.00 -1.26 -2.51 120.51 124.74 1k81 n ALA 133 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.31 1k81 n ALA 133 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1k81 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k81 n GLY 135 N 1.19 -1.20 3.28 0.00 0.00 -1.20 -4.98 105.19 102.28 1k81 n GLY 135 Ca 0.02 0.52 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 1k81 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k81 s ALA 136 N -3.18 2.12 -0.04 4.61 0.00 -1.08 -5.01 121.76 119.18 1k81 s ALA 136 Ca 0.21 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.15 1k81 s ALA 136 Cb -0.04 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 1k81 s ALA 136 CO 0.77 0.46 -0.17 0.96 0.00 0.00 0.00 175.76 177.77 1k81 s ILE 137 N -0.35 1.41 -0.03 0.00 -5.25 -1.26 -1.89 121.20 113.83 1k81 s ILE 137 Ca 0.02 -0.72 0.03 0.00 -0.99 0.00 0.00 60.65 59.00 1k81 s ILE 137 Cb -0.12 -1.21 -0.00 0.00 2.95 0.00 0.00 42.46 44.08 1k81 s ILE 137 CO 0.02 0.41 -0.12 -0.13 -1.79 0.00 0.00 174.94 173.32 1k81 s ARG 138 N -0.04 1.19 -0.36 0.37 0.52 -0.82 -5.04 118.95 114.77 1k81 s ARG 138 Ca -0.02 -0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 54.62 1k81 s ARG 138 Cb -0.11 -1.09 -0.01 0.00 0.52 0.00 0.00 34.95 34.27 1k81 s ARG 138 CO 0.02 0.18 0.38 -1.25 0.02 0.00 0.00 175.30 174.64 1k81 s PRO 139 N 0.05 3.47 -0.58 3.54 0.04 -1.26 -2.38 135.00 137.88 1k81 s PRO 139 Ca -0.02 -0.48 0.02 0.00 0.04 0.00 0.00 61.00 60.57 1k81 s PRO 139 Cb -0.09 -3.84 0.15 0.00 0.04 0.00 0.00 34.50 30.76 1k81 s PRO 139 CO 0.01 -0.59 0.35 0.42 0.04 0.00 0.00 177.00 177.23 1k81 s ILE 140 N 2.04 2.97 -0.13 0.56 -1.09 -0.74 -4.86 121.20 119.95 1k81 s ILE 140 Ca 0.12 -3.39 0.19 0.00 -2.23 0.00 0.00 60.65 55.34 1k81 s ILE 140 Cb -0.17 -3.00 -0.27 0.00 -1.58 0.00 0.00 42.46 37.45 1k81 s ILE 140 CO 0.12 -0.86 0.22 -1.14 -1.23 0.00 0.00 174.94 172.05 1k81 n ARG 141 N 3.01 0.76 -0.73 2.79 0.63 -1.26 -2.18 116.66 119.68 1k81 n ARG 141 Ca 0.08 -0.08 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 1k81 n ARG 141 Cb 0.34 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.73 1k81 n ARG 141 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1k81 n MET 142 N -2.53 -1.47 -0.67 -0.14 2.81 -1.26 -4.89 117.12 108.97 1k81 n MET 142 Ca -0.21 0.97 0.00 0.00 -1.81 0.00 0.00 57.70 56.65 1k81 n MET 142 Cb 0.91 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 1k81 n MET 142 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59