#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kup s LYS 113 N 0.00 3.06 0.71 -0.67 -0.14 -1.26 -4.61 119.74 116.83 3kup s LYS 113 Ca 0.00 -0.82 -0.08 0.00 -1.36 0.00 0.00 55.97 53.72 3kup s LYS 113 Cb 0.00 -2.73 0.05 0.00 -1.68 0.00 0.00 37.83 33.48 3kup s LYS 113 CO 0.00 0.48 1.04 -1.25 -0.76 0.00 0.00 175.35 174.86 3kup s PRO 114 N -3.25 2.31 0.22 -1.68 0.04 -1.26 -5.13 135.00 126.25 3kup s PRO 114 Ca 0.32 -0.09 0.05 0.00 0.04 0.00 0.00 61.00 61.32 3kup s PRO 114 Cb -0.10 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3kup s PRO 114 CO 0.25 -1.21 -0.04 1.03 0.04 0.00 0.00 177.00 177.07 3kup s ARG 115 N -5.28 1.33 5.46 4.56 0.52 -1.26 -4.70 118.95 119.57 3kup s ARG 115 Ca 0.59 -1.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.15 3kup s ARG 115 Cb -0.11 -0.75 0.00 0.00 0.52 0.00 0.00 34.95 34.61 3kup s ARG 115 CO 0.46 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 176.17 3kup n GLY 116 N -0.41 2.62 0.28 -3.53 0.00 -1.26 -2.64 105.19 100.24 3kup n GLY 116 Ca -0.06 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.69 3kup n GLY 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kup h PHE 117 N 0.00 0.00 0.00 1.61 0.04 -1.93 -2.13 116.94 114.53 3kup h PHE 117 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kup h PHE 117 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3kup h PHE 117 CO 0.00 0.06 0.03 0.00 -0.60 0.00 0.00 178.31 177.80 3kup h ALA 118 N 1.94 1.02 0.00 2.45 0.00 -1.90 -1.89 119.26 120.89 3kup h ALA 118 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kup h ALA 118 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kup h ALA 118 CO 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3kup h ARG 119 N 0.00 0.00 -0.58 0.00 3.08 -1.50 -3.45 114.38 111.92 3kup h ARG 119 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 3kup h ARG 119 Cb 0.06 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 3kup h ARG 119 CO 0.00 0.00 -0.17 0.41 -1.07 0.00 0.00 179.97 179.14 3kup n GLY 120 N 0.18 0.83 3.90 0.04 0.00 -0.71 -5.01 105.19 104.42 3kup n GLY 120 Ca 0.02 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 3kup n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kup s LEU 121 N -2.08 4.03 0.17 0.99 1.43 -1.26 -5.06 118.68 116.90 3kup s LEU 121 Ca 0.00 0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 53.59 3kup s LEU 121 Cb 0.00 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 3kup s LEU 121 CO 0.00 -0.22 1.10 -1.81 0.23 0.00 0.00 176.35 175.65 3kup s ASP 122 N -3.11 7.26 0.36 2.29 1.01 -1.26 -4.92 116.67 118.29 3kup s ASP 122 Ca 0.45 2.08 -0.28 0.00 0.71 0.00 0.00 52.55 55.52 3kup s ASP 122 Cb -0.11 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.13 3kup s ASP 122 CO 0.30 -0.23 1.28 -2.16 0.21 0.00 0.00 175.17 174.57 3kup s PRO 123 N -0.29 4.22 -0.10 8.23 0.04 -1.26 -0.85 135.00 144.99 3kup s PRO 123 Ca 0.50 2.14 -0.08 0.00 0.04 0.00 0.00 61.00 63.60 3kup s PRO 123 Cb -0.29 -2.94 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 3kup s PRO 123 CO 0.35 -0.28 -0.18 -1.91 0.04 0.00 0.00 177.00 175.02 3kup n GLU 124 N 0.54 0.28 -3.63 4.56 2.13 0.20 -4.68 120.64 120.04 3kup n GLU 124 Ca 0.01 0.12 -0.13 0.00 0.66 0.00 0.00 57.16 57.82 3kup n GLU 124 Cb 0.43 -0.98 -0.07 0.00 0.27 0.00 0.00 31.44 31.09 3kup n GLU 124 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3kup s ARG 125 N -2.34 0.78 -0.06 5.31 3.52 -1.07 -5.01 118.95 120.08 3kup s ARG 125 Ca -0.17 0.88 -0.22 0.00 -0.13 0.00 0.00 55.73 56.09 3kup s ARG 125 Cb 0.05 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.78 3kup s ARG 125 CO 0.23 -0.10 0.64 0.42 -0.81 0.00 0.00 175.30 175.67 3kup s ILE 126 N 0.26 5.03 -0.70 4.11 1.01 -1.26 -0.70 121.20 128.94 3kup s ILE 126 Ca 0.00 1.31 0.06 0.00 0.00 0.00 0.00 60.65 62.02 3kup s ILE 126 Cb -0.05 -3.98 0.05 0.00 0.01 0.00 0.00 42.46 38.50 3kup s ILE 126 CO 0.00 0.31 0.71 2.30 0.00 0.00 0.00 174.94 178.26 3kup n ILE 127 N 3.48 0.06 -3.62 2.92 -5.35 -0.14 -4.85 119.36 111.87 3kup n ILE 127 Ca -0.04 -0.53 -0.01 0.00 -0.27 0.00 0.00 62.75 61.91 3kup n ILE 127 Cb 0.51 1.08 -0.01 0.00 -1.74 0.00 0.00 39.64 39.48 3kup n ILE 127 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kup s GLY 128 N -0.51 -0.30 0.02 3.28 0.00 -1.25 -4.98 107.32 103.57 3kup s GLY 128 Ca 0.07 1.57 0.01 0.00 0.00 0.00 0.00 44.72 46.37 3kup s GLY 128 CO 0.07 0.48 -0.05 0.00 0.00 0.00 0.00 173.10 173.60 3kup s ALA 129 N -2.10 0.38 -0.05 3.20 0.00 -1.26 -0.57 121.76 121.37 3kup s ALA 129 Ca 0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 3kup s ALA 129 Cb 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.15 3kup s ALA 129 CO -0.04 0.02 0.11 -0.08 0.00 0.00 0.00 175.76 175.77 3kup s THR 130 N -0.70 -0.02 -0.17 0.00 -1.32 0.35 -4.99 115.64 108.79 3kup s THR 130 Ca -0.05 0.07 0.16 0.00 -1.21 0.00 0.00 61.69 60.66 3kup s THR 130 Cb -0.05 -0.18 0.37 0.00 -1.51 0.00 0.00 72.50 71.13 3kup s THR 130 CO -0.00 0.03 1.22 -0.90 -2.21 0.00 0.00 174.62 172.76 3kup n ASP 131 N 3.44 2.33 0.28 8.08 5.75 -1.26 -0.70 116.55 134.47 3kup n ASP 131 Ca -0.17 -3.37 0.12 0.00 -0.01 0.00 0.00 54.79 51.35 3kup n ASP 131 Cb 0.56 -0.49 0.78 0.00 -1.03 0.00 0.00 41.12 40.95 3kup n ASP 131 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3kup h SER 132 N 0.55 0.00 1.03 -1.12 4.64 -1.96 0.12 113.55 116.81 3kup h SER 132 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3kup h SER 132 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3kup h SER 132 CO 0.05 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 174.49 3kup n SER 133 N -4.13 0.49 0.00 4.97 3.41 -1.26 -4.91 113.62 112.19 3kup n SER 133 Ca -0.03 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3kup n SER 133 Cb 0.10 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 3kup n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kup n GLY 134 N 0.79 0.59 3.25 5.00 0.00 0.43 -5.05 105.19 110.21 3kup n GLY 134 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3kup n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kup s GLU 135 N -0.80 1.92 0.02 1.61 8.01 -1.26 -5.08 118.70 123.11 3kup s GLU 135 Ca 0.00 -0.81 -0.30 0.00 0.01 0.00 0.00 54.97 53.86 3kup s GLU 135 Cb 0.00 -1.81 -0.05 0.00 -4.31 0.00 0.00 34.13 27.95 3kup s GLU 135 CO 0.00 0.47 1.32 -1.17 0.01 0.00 0.00 175.26 175.88 3kup s LEU 136 N -0.47 4.33 0.06 1.80 2.96 -1.26 -4.34 118.68 121.75 3kup s LEU 136 Ca 0.07 2.06 0.07 0.00 -0.22 0.00 0.00 54.13 56.10 3kup s LEU 136 Cb -0.09 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3kup s LEU 136 CO -0.00 -0.63 -0.18 -0.04 -1.32 0.00 0.00 176.35 174.17 3kup s MET 137 N 1.92 1.15 -0.03 1.98 -1.94 0.13 -1.15 119.30 121.36 3kup s MET 137 Ca 0.61 -0.93 0.02 0.00 -1.71 0.00 0.00 55.69 53.68 3kup s MET 137 Cb -0.30 -1.25 -0.03 0.00 2.01 0.00 0.00 34.83 35.25 3kup s MET 137 CO 0.27 0.31 -0.05 -0.06 -0.01 0.00 0.00 175.02 175.48 3kup s PHE 138 N -0.92 2.97 -0.57 -0.03 0.08 -0.09 -0.50 117.98 118.92 3kup s PHE 138 Ca 0.05 0.03 -0.25 0.00 0.12 0.00 0.00 56.93 56.88 3kup s PHE 138 Cb -0.09 -1.67 0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3kup s PHE 138 CO 0.02 0.39 0.99 -1.17 -0.10 0.00 0.00 175.22 175.35 3kup s LEU 139 N -1.19 4.00 -0.28 -0.37 2.96 0.26 -0.52 118.68 123.53 3kup s LEU 139 Ca 0.16 -0.34 -0.15 0.00 -0.22 0.00 0.00 54.13 53.58 3kup s LEU 139 Cb -0.11 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 3kup s LEU 139 CO 0.05 -1.30 0.37 -0.32 -1.32 0.00 0.00 176.35 173.84 3kup s MET 140 N 4.16 3.95 -0.09 1.98 -2.45 0.05 -0.96 119.30 125.94 3kup s MET 140 Ca 0.32 -0.03 -0.27 0.00 -1.25 0.00 0.00 55.69 54.46 3kup s MET 140 Cb -0.12 -3.68 -0.02 0.00 1.25 0.00 0.00 34.83 32.26 3kup s MET 140 CO 0.19 -0.32 0.89 0.21 1.05 0.00 0.00 175.02 177.04 3kup s LYS 141 N 2.07 4.43 -0.06 4.11 2.47 0.13 -1.97 119.74 130.91 3kup s LYS 141 Ca 0.15 1.19 -0.12 0.00 -1.56 0.00 0.00 55.97 55.63 3kup s LYS 141 Cb -0.16 -3.51 -0.05 0.00 -1.46 0.00 0.00 37.83 32.65 3kup s LYS 141 CO 0.10 -0.17 0.30 -1.58 0.16 0.00 0.00 175.35 174.17 3kup s TRP 142 N 1.54 3.66 0.33 4.03 0.52 -1.13 -0.63 118.94 127.25 3kup s TRP 142 Ca 0.44 0.79 -0.29 0.00 0.02 0.00 0.00 56.10 57.07 3kup s TRP 142 Cb -0.18 -2.17 -0.11 0.00 -1.15 0.00 0.00 33.47 29.86 3kup s TRP 142 CO 0.19 0.64 1.46 0.21 0.02 0.00 0.00 176.95 179.47 3kup s LYS 143 N -0.90 4.19 -1.49 4.98 2.20 -0.03 -2.74 119.74 125.95 3kup s LYS 143 Ca 0.20 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 3kup s LYS 143 Cb -0.15 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 3kup s LYS 143 CO 0.09 -0.46 0.00 -0.25 -0.36 0.00 0.00 175.35 174.37 3kup n ASP 144 N 1.22 -4.84 -3.87 1.43 8.00 -1.26 -4.56 116.55 112.67 3kup n ASP 144 Ca 0.03 0.14 -0.11 0.00 0.71 0.00 0.00 54.79 55.56 3kup n ASP 144 Cb 0.40 -3.88 -0.09 0.00 -0.02 0.00 0.00 41.12 37.52 3kup n ASP 144 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3kup s SER 145 N -2.48 0.04 0.00 -2.24 0.15 -1.11 -5.00 113.70 103.07 3kup s SER 145 Ca 0.00 -0.28 0.28 0.00 0.70 0.00 0.00 55.95 56.65 3kup s SER 145 Cb 0.00 0.23 1.06 0.00 -1.71 0.00 0.00 66.02 65.60 3kup s SER 145 CO 0.00 -0.43 1.75 -0.90 1.20 0.00 0.00 173.24 174.86 3kup n ASP 146 N 1.19 1.42 -4.75 5.45 5.75 -1.26 -4.63 116.55 119.73 3kup n ASP 146 Ca -0.21 -1.44 -0.40 0.00 -0.01 0.00 0.00 54.79 52.72 3kup n ASP 146 Cb 0.57 0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.61 3kup n ASP 146 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3kup s GLU 147 N -2.03 4.57 -0.05 0.11 0.41 -1.26 -5.02 118.70 115.43 3kup s GLU 147 Ca 0.37 1.19 0.01 0.00 -0.41 0.00 0.00 54.97 56.13 3kup s GLU 147 Cb 0.21 -3.35 0.02 0.00 -1.78 0.00 0.00 34.13 29.23 3kup s GLU 147 CO 0.35 0.32 -0.05 0.00 -0.49 0.00 0.00 175.26 175.39 3kup s ALA 148 N -0.25 0.72 0.09 5.21 0.00 -1.26 -2.86 121.76 123.40 3kup s ALA 148 Ca 0.40 -0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.36 3kup s ALA 148 Cb -0.22 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3kup s ALA 148 CO 0.25 -0.02 -0.22 -0.51 0.00 0.00 0.00 175.76 175.26 3kup s ASP 149 N 0.94 2.67 0.22 0.00 1.01 -0.83 -4.86 116.67 115.82 3kup s ASP 149 Ca -0.11 -0.64 -0.30 0.00 0.71 0.00 0.00 52.55 52.21 3kup s ASP 149 Cb -0.14 -0.18 -0.09 0.00 1.01 0.00 0.00 42.92 43.51 3kup s ASP 149 CO 0.00 0.12 1.39 -0.76 0.21 0.00 0.00 175.17 176.13 3kup s LEU 150 N -1.68 4.40 0.08 1.23 1.43 -1.26 -0.77 118.68 122.11 3kup s LEU 150 Ca 0.08 2.54 0.06 0.00 -1.03 0.00 0.00 54.13 55.78 3kup s LEU 150 Cb -0.10 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 3kup s LEU 150 CO 0.04 -0.63 -0.16 0.68 0.23 0.00 0.00 176.35 176.51 3kup s VAL 151 N 0.12 1.25 0.28 -1.59 -7.23 0.32 -4.72 120.40 108.83 3kup s VAL 151 Ca 0.59 -1.35 -0.30 0.00 -1.81 0.00 0.00 61.98 59.11 3kup s VAL 151 Cb -0.39 -1.18 -0.10 0.00 0.56 0.00 0.00 36.38 35.26 3kup s VAL 151 CO 0.40 -0.18 1.45 -0.76 -0.31 0.00 0.00 175.10 175.70 3kup s LEU 152 N -1.76 4.38 0.25 1.32 1.43 -1.26 -0.91 118.68 122.13 3kup s LEU 152 Ca 0.00 2.74 -0.04 0.00 -1.03 0.00 0.00 54.13 55.81 3kup s LEU 152 Cb -0.10 -3.63 0.42 0.00 0.03 0.00 0.00 46.19 42.91 3kup s LEU 152 CO 0.03 -0.72 1.80 0.00 0.23 0.00 0.00 176.35 177.69 3kup h ALA 153 N 4.60 1.21 -0.98 4.21 0.00 -1.46 -0.60 119.26 126.23 3kup h ALA 153 Ca -0.47 0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.61 3kup h ALA 153 Cb 1.22 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 3kup h ALA 153 CO 0.75 0.08 0.62 0.87 0.00 0.00 0.00 179.25 181.57 3kup h LYS 154 N 0.78 0.88 -0.05 0.00 1.57 -1.91 0.52 116.57 118.37 3kup h LYS 154 Ca 0.41 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 3kup h LYS 154 Cb 0.41 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3kup h LYS 154 CO -0.26 0.58 -0.05 1.49 -0.57 0.00 0.00 179.45 180.64 3kup h GLU 155 N 0.91 0.11 -0.75 3.15 4.81 -1.51 -3.15 114.58 118.15 3kup h GLU 155 Ca 0.49 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.63 3kup h GLU 155 Cb 0.58 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 3kup h GLU 155 CO -0.26 0.57 0.32 0.00 -0.73 0.00 0.00 179.01 178.92 3kup h ALA 156 N 0.54 1.15 -0.81 2.92 0.00 -0.75 -1.59 119.26 120.71 3kup h ALA 156 Ca 0.01 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3kup h ALA 156 Cb 0.55 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 3kup h ALA 156 CO 0.01 0.62 0.44 -0.91 0.00 0.00 0.00 179.25 179.41 3kup h ASN 157 N 1.08 0.59 0.29 0.00 2.35 0.01 -0.85 115.58 119.05 3kup h ASN 157 Ca 0.26 0.06 -0.33 0.00 -0.55 0.00 0.00 56.30 55.74 3kup h ASN 157 Cb 0.17 -0.04 0.03 0.00 0.05 0.00 0.00 38.32 38.53 3kup h ASN 157 CO -0.03 0.31 -1.44 0.00 -1.65 0.00 0.00 177.43 174.63 3kup h MET 158 N 0.70 0.52 0.06 0.81 -0.00 -1.46 -3.21 114.93 112.36 3kup h MET 158 Ca 0.41 -0.87 -0.26 0.00 -0.00 0.00 0.00 59.70 58.98 3kup h MET 158 Cb 0.46 0.32 -0.02 0.00 -0.00 0.00 0.00 31.60 32.36 3kup h MET 158 CO -0.29 1.42 -1.29 0.87 -0.00 0.00 0.00 176.91 177.62 3kup h LYS 159 N 0.15 0.13 -1.44 -0.10 1.57 -1.10 -3.41 116.57 112.37 3kup h LYS 159 Ca -0.24 -0.21 -0.43 0.00 -1.87 0.00 0.00 60.65 57.90 3kup h LYS 159 Cb 2.13 0.08 -0.33 0.00 0.08 0.00 0.00 32.23 34.19 3kup h LYS 159 CO 0.27 1.01 -0.97 0.00 -0.57 0.00 0.00 179.45 179.18 3kup h PRO 161 N 3.27 0.36 -0.00 0.00 0.13 -1.62 -1.87 132.00 132.27 3kup h PRO 161 Ca 0.03 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.03 3kup h PRO 161 Cb 0.98 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 3kup h PRO 161 CO 0.40 0.24 -0.55 1.96 -0.23 0.00 0.00 178.00 179.82 3kup h GLN 162 N 0.37 0.00 -0.32 0.86 1.08 -1.91 0.21 115.11 115.40 3kup h GLN 162 Ca 0.12 -0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.24 3kup h GLN 162 Cb 0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3kup h GLN 162 CO -0.03 0.55 -0.15 0.82 -0.95 0.00 0.00 178.83 179.08 3kup h ILE 163 N 0.00 1.29 -0.15 2.54 2.04 -1.77 -0.61 117.51 120.84 3kup h ILE 163 Ca -0.01 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.62 3kup h ILE 163 Cb 0.98 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 3kup h ILE 163 CO 0.07 0.40 0.06 0.58 0.00 0.00 0.00 178.15 179.26 3kup h VAL 164 N 0.42 0.98 -0.62 1.67 2.07 -1.02 -2.20 116.25 117.54 3kup h VAL 164 Ca 0.07 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3kup h VAL 164 Cb 0.67 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3kup h VAL 164 CO 0.04 0.03 0.39 0.40 0.02 0.00 0.00 177.57 178.45 3kup h ILE 165 N 0.14 1.18 -0.66 4.57 2.04 -0.92 -2.05 117.51 121.80 3kup h ILE 165 Ca 0.06 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.64 3kup h ILE 165 Cb 0.03 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.34 3kup h ILE 165 CO -0.06 0.18 0.30 0.00 0.00 0.00 0.00 178.15 178.57 3kup h ALA 166 N 1.20 0.88 -0.12 1.87 0.00 -1.02 -0.36 119.26 121.71 3kup h ALA 166 Ca 0.22 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3kup h ALA 166 Cb -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kup h ALA 166 CO -0.04 -0.11 0.03 0.35 0.00 0.00 0.00 179.25 179.48 3kup h PHE 167 N 0.52 0.05 -0.63 0.00 3.57 -0.96 -1.78 116.94 117.71 3kup h PHE 167 Ca 0.32 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 3kup h PHE 167 Cb 0.36 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 3kup h PHE 167 CO -0.13 0.02 0.32 1.88 -2.23 0.00 0.00 178.31 178.17 3kup h TYR 168 N 0.08 0.90 -0.78 0.41 0.05 -0.95 -0.14 116.97 116.54 3kup h TYR 168 Ca 0.05 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.81 3kup h TYR 168 Cb 0.04 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.46 3kup h TYR 168 CO -0.11 0.67 0.51 0.93 -1.05 0.00 0.00 178.16 179.11 3kup h GLU 169 N 0.87 1.00 -0.33 4.88 5.08 -0.98 0.56 114.58 125.66 3kup h GLU 169 Ca 0.22 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3kup h GLU 169 Cb 0.10 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3kup h GLU 169 CO -0.03 0.66 0.12 0.93 -1.00 0.00 0.00 179.01 179.69 3kup h GLU 170 N 1.03 0.51 0.21 2.33 5.08 -0.99 -2.74 114.58 120.00 3kup h GLU 170 Ca 0.30 -0.10 -0.34 0.00 -1.00 0.00 0.00 59.36 58.21 3kup h GLU 170 Cb -0.08 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.12 3kup h GLU 170 CO -0.08 0.53 -1.59 0.07 -1.00 0.00 0.00 179.01 176.94 3kup h ARG 171 N 0.38 0.44 -0.09 2.33 -0.00 -0.54 -3.38 114.38 113.52 3kup h ARG 171 Ca 0.11 -0.76 0.00 0.00 -0.00 0.00 0.00 59.98 59.33 3kup h ARG 171 Cb 0.22 0.28 0.00 0.00 -0.00 0.00 0.00 29.97 30.48 3kup h ARG 171 CO -0.01 1.35 0.00 1.28 -0.00 0.00 0.00 179.97 182.60 3kup n LEU 172 N -3.63 2.30 0.00 0.08 4.32 0.19 -5.08 117.00 115.18 3kup n LEU 172 Ca -0.20 -1.19 0.00 0.00 -0.02 0.00 0.00 56.01 54.60 3kup n LEU 172 Cb 1.09 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.83 3kup n LEU 172 CO 0.56 0.46 0.00 0.35 -1.22 0.00 0.00 177.39 177.54