#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k81 n ILE 109 N 0.00 0.00 -4.69 2.52 5.41 -1.26 -4.80 119.36 116.54 1k81 n ILE 109 Ca 0.00 1.08 -0.33 0.00 1.00 0.00 0.00 62.75 64.50 1k81 n ILE 109 Cb 0.00 -2.07 -0.15 0.00 -0.71 0.00 0.00 39.64 36.71 1k81 n ILE 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k81 s ARG 111 N 0.50 2.10 -0.66 0.00 0.52 -1.26 -3.36 118.95 116.78 1k81 s ARG 111 Ca -0.09 -0.65 -0.03 0.00 -0.52 0.00 0.00 55.73 54.44 1k81 s ARG 111 Cb -0.16 -5.10 -0.04 0.00 0.52 0.00 0.00 34.95 30.18 1k81 s ARG 111 CO 0.04 -4.28 0.59 0.39 0.02 0.00 0.00 175.30 172.06 1k81 n GLU 112 N 8.43 -1.39 0.00 3.54 1.02 -1.26 -4.99 120.64 125.99 1k81 n GLU 112 Ca 0.43 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 58.27 1k81 n GLU 112 Cb 0.46 -4.40 0.00 0.00 -0.02 0.00 0.00 31.44 27.48 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 -0.69 -1.93 1.16 0.00 0.00 -1.26 -4.69 105.19 97.79 1k81 n GLY 114 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.02 0.00 0.00 1.61 4.76 -1.26 -5.09 118.16 116.15 1k81 n LYS 115 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1k81 n LYS 115 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1k81 n LYS 115 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1k81 n PRO 116 N -3.05 0.00 -3.43 1.97 -0.02 -1.26 -5.01 135.00 124.20 1k81 n PRO 116 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1k81 n PRO 116 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 33.50 33.46 1k81 n PRO 116 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1k81 n ASP 117 N 0.00 0.00 -4.03 2.55 9.92 -0.99 -5.07 116.55 118.93 1k81 n ASP 117 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.03 1k81 n ASP 117 Cb 0.00 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.32 1k81 n ASP 117 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1k81 s THR 118 N -2.90 1.00 -0.03 -3.53 -1.32 -1.26 -1.94 115.64 105.67 1k81 s THR 118 Ca 0.00 -0.45 0.04 0.00 -1.21 0.00 0.00 61.69 60.07 1k81 s THR 118 Cb 0.00 -0.90 -0.00 0.00 -1.51 0.00 0.00 72.50 70.09 1k81 s THR 118 CO 0.00 0.31 -0.14 -0.54 -2.21 0.00 0.00 174.62 172.04 1k81 s LYS 119 N 0.34 1.32 -0.07 7.08 1.02 -0.89 -5.00 119.74 123.55 1k81 s LYS 119 Ca -0.07 -0.49 0.03 0.00 0.02 0.00 0.00 55.97 55.46 1k81 s LYS 119 Cb -0.12 -1.22 -0.02 0.00 -0.52 0.00 0.00 37.83 35.96 1k81 s LYS 119 CO 0.02 0.24 -0.16 0.42 -0.92 0.00 0.00 175.35 174.95 1k81 s ILE 120 N -0.07 2.88 -0.02 2.17 1.01 -1.26 -2.53 121.20 123.37 1k81 s ILE 120 Ca 0.00 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.92 1k81 s ILE 120 Cb -0.08 -2.13 -0.00 0.00 0.01 0.00 0.00 42.46 40.25 1k81 s ILE 120 CO 0.01 0.57 -0.12 -0.51 0.00 0.00 0.00 174.94 174.88 1k81 s ILE 121 N -0.36 1.03 -0.03 2.92 1.10 -0.89 -5.02 121.20 119.95 1k81 s ILE 121 Ca 0.03 -0.52 0.04 0.00 -0.51 0.00 0.00 60.65 59.69 1k81 s ILE 121 Cb -0.12 -0.88 -0.00 0.00 0.15 0.00 0.00 42.46 41.60 1k81 s ILE 121 CO 0.02 0.30 -0.15 -0.54 -2.11 0.00 0.00 174.94 172.46 1k81 s LYS 122 N -0.05 1.52 -0.02 3.50 3.01 -1.26 -1.96 119.74 124.47 1k81 s LYS 122 Ca 0.00 -0.55 0.03 0.00 -1.01 0.00 0.00 55.97 54.45 1k81 s LYS 122 Cb -0.08 -1.37 -0.00 0.00 -1.01 0.00 0.00 37.83 35.37 1k81 s LYS 122 CO 0.00 0.25 -0.12 -1.21 0.51 0.00 0.00 175.35 174.78 1k81 s GLU 123 N -0.03 1.14 7.40 1.68 2.02 -0.90 -5.03 118.70 124.98 1k81 s GLU 123 Ca -0.01 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1k81 s GLU 123 Cb -0.10 -1.06 0.00 0.00 0.10 0.00 0.00 34.13 33.08 1k81 s GLU 123 CO 0.01 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.90 1k81 n GLY 124 N 3.08 4.23 0.45 -1.39 0.00 -1.26 -2.10 105.19 108.20 1k81 n GLY 124 Ca -0.17 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 14.00 1.75 -4.47 1.61 1.85 -1.26 -4.98 116.66 125.16 1k81 n ARG 125 Ca 0.00 -2.82 -0.21 0.00 -1.00 0.00 0.00 57.85 53.81 1k81 n ARG 125 Cb 0.00 -1.63 -0.15 0.00 -1.05 0.00 0.00 32.46 29.63 1k81 n ARG 125 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1k81 s VAL 126 N -2.97 0.90 -0.09 8.89 0.11 -0.89 -4.86 120.40 121.48 1k81 s VAL 126 Ca 0.37 -0.43 -0.01 0.00 -2.93 0.00 0.00 61.98 58.98 1k81 s VAL 126 Cb 0.32 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 1k81 s VAL 126 CO 0.02 0.27 -0.05 -1.00 -3.33 0.00 0.00 175.10 171.01 1k81 s HIS 127 N 0.11 2.98 -0.02 1.54 3.76 -0.83 -2.12 115.29 120.70 1k81 s HIS 127 Ca -0.02 -0.05 0.04 0.00 -0.15 0.00 0.00 55.06 54.88 1k81 s HIS 127 Cb -0.08 -1.78 -0.00 0.00 1.11 0.00 0.00 32.58 31.82 1k81 s HIS 127 CO 0.01 0.25 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.85 1k81 s LEU 128 N -0.52 1.91 -0.07 0.89 1.98 -0.83 -1.87 118.68 120.18 1k81 s LEU 128 Ca 0.08 -0.25 0.04 0.00 -2.89 0.00 0.00 54.13 51.11 1k81 s LEU 128 Cb -0.12 -0.71 -0.02 0.00 0.66 0.00 0.00 46.19 46.00 1k81 s LEU 128 CO 0.02 0.13 -0.20 -0.76 -1.89 0.00 0.00 176.35 173.65 1k81 s LEU 129 N -0.04 2.37 -0.02 -0.68 1.02 -0.97 -2.09 118.68 118.26 1k81 s LEU 129 Ca -0.00 -0.39 0.03 0.00 0.02 0.00 0.00 54.13 53.79 1k81 s LEU 129 Cb -0.08 -1.46 -0.00 0.00 0.02 0.00 0.00 46.19 44.66 1k81 s LEU 129 CO 0.01 0.26 -0.12 -0.54 0.02 0.00 0.00 176.35 175.98 1k81 s LYS 130 N -0.25 1.10 -0.04 1.70 -0.14 -1.05 -2.11 119.74 118.95 1k81 s LYS 130 Ca -0.00 -0.41 0.04 0.00 -1.36 0.00 0.00 55.97 54.24 1k81 s LYS 130 Cb -0.13 -1.03 -0.00 0.00 -1.68 0.00 0.00 37.83 34.99 1k81 s LYS 130 CO 0.03 0.20 -0.15 0.00 -0.76 0.00 0.00 175.35 174.66 1k81 s MET 132 N 0.03 3.58 0.00 0.00 -1.94 -0.82 -2.64 119.30 117.50 1k81 s MET 132 Ca -0.03 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 1k81 s MET 132 Cb -0.10 -2.88 0.00 0.00 2.01 0.00 0.00 34.83 33.86 1k81 s MET 132 CO 0.02 0.29 0.00 0.00 -0.01 0.00 0.00 175.02 175.31 1k81 n ALA 133 N 3.39 0.00 0.60 3.03 0.00 -1.26 -2.35 120.51 123.91 1k81 n ALA 133 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.33 1k81 n ALA 133 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 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 1.34 -1.19 3.14 0.00 0.00 -1.18 -5.02 105.19 102.28 1k81 n GLY 135 Ca 0.02 0.52 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 1.46 -0.04 4.61 0.00 -1.08 -5.01 121.76 118.52 1k81 s ALA 136 Ca 0.21 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1k81 s ALA 136 Cb -0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1k81 s ALA 136 CO 0.78 0.30 -0.15 0.96 0.00 0.00 0.00 175.76 177.65 1k81 s ILE 137 N -0.14 1.25 -0.03 0.00 -4.36 -1.26 -1.86 121.20 114.81 1k81 s ILE 137 Ca 0.01 -0.62 0.03 0.00 -0.26 0.00 0.00 60.65 59.81 1k81 s ILE 137 Cb -0.09 -1.08 -0.00 0.00 1.25 0.00 0.00 42.46 42.54 1k81 s ILE 137 CO 0.01 0.36 -0.12 -0.13 0.24 0.00 0.00 174.94 175.31 1k81 s ARG 138 N 0.04 1.16 -0.13 0.37 1.81 -0.90 -5.03 118.95 116.27 1k81 s ARG 138 Ca -0.03 -0.41 -0.13 0.00 -1.72 0.00 0.00 55.73 53.45 1k81 s ARG 138 Cb -0.10 -1.07 -0.05 0.00 -0.45 0.00 0.00 34.95 33.28 1k81 s ARG 138 CO 0.01 0.18 0.27 -1.25 -0.68 0.00 0.00 175.30 173.84 1k81 s PRO 139 N 0.03 4.08 -0.03 3.54 0.04 -1.26 -2.30 135.00 139.10 1k81 s PRO 139 Ca -0.01 0.08 0.01 0.00 0.04 0.00 0.00 61.00 61.12 1k81 s PRO 139 Cb -0.08 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.11 1k81 s PRO 139 CO 0.01 0.39 -0.03 0.42 0.04 0.00 0.00 177.00 177.83 1k81 s ILE 140 N 0.01 0.36 -0.43 0.56 1.09 -0.78 -5.04 121.20 116.97 1k81 s ILE 140 Ca 0.17 -0.08 0.08 0.00 -1.10 0.00 0.00 60.65 59.71 1k81 s ILE 140 Cb -0.13 -0.39 0.29 0.00 -1.06 0.00 0.00 42.46 41.17 1k81 s ILE 140 CO 0.05 0.16 0.83 -1.14 -0.10 0.00 0.00 174.94 174.73 1k81 n ARG 141 N 3.72 0.86 -3.06 2.79 0.00 -1.26 -1.97 116.66 117.74 1k81 n ARG 141 Ca -0.22 -2.48 -0.18 0.00 -0.00 0.00 0.00 57.85 54.97 1k81 n ARG 141 Cb 0.53 -1.34 0.01 0.00 0.00 0.00 0.00 32.46 31.66 1k81 n ARG 141 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1k81 s MET 142 N -0.51 2.72 0.00 -0.14 -1.94 -1.26 -5.08 119.30 113.10 1k81 s MET 142 Ca 0.32 -1.33 0.13 0.00 -1.71 0.00 0.00 55.69 53.09 1k81 s MET 142 Cb 0.26 -2.71 0.10 0.00 2.01 0.00 0.00 34.83 34.48 1k81 s MET 142 CO -0.13 -0.36 0.90 -0.89 -0.01 0.00 0.00 175.02 174.53