#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kup s ARG 115 N 0.00 1.01 5.50 0.54 0.52 -1.26 -4.68 118.95 120.58 3kup s ARG 115 Ca 0.00 -1.36 0.00 0.00 -0.52 0.00 0.00 55.73 53.85 3kup s ARG 115 Cb 0.00 -0.66 0.00 0.00 0.52 0.00 0.00 34.95 34.81 3kup s ARG 115 CO 0.00 0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.82 3kup n GLY 116 N 0.08 2.46 0.28 -3.53 0.00 -1.26 -2.54 105.19 100.68 3kup n GLY 116 Ca -0.12 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.94 -1.36 116.94 115.29 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 0.05 0.00 0.00 -0.60 0.00 0.00 178.31 177.76 3kup n ALA 118 N -2.30 1.40 0.30 2.45 0.00 -1.05 -1.55 120.51 119.76 3kup n ALA 118 Ca -0.02 0.12 0.18 0.00 0.00 0.00 0.00 53.44 53.72 3kup n ALA 118 Cb 0.15 -1.34 0.77 0.00 0.00 0.00 0.00 19.45 19.03 3kup n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kup h ARG 119 N 0.00 0.00 -0.49 0.00 3.08 -1.35 -3.45 114.38 112.18 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 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 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 -0.21 0.96 3.91 0.04 0.00 -0.60 -5.01 105.19 104.29 3kup n GLY 120 Ca -0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.02 4.29 0.17 0.99 1.43 -1.26 -5.07 118.68 117.20 3kup s LEU 121 Ca 0.00 0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 3kup s LEU 121 Cb 0.00 -3.15 -0.08 0.00 0.03 0.00 0.00 46.19 42.99 3kup s LEU 121 CO 0.00 0.06 1.32 -1.81 0.23 0.00 0.00 176.35 176.15 3kup s ASP 122 N -2.69 6.89 0.27 2.29 1.01 -1.26 -4.90 116.67 118.27 3kup s ASP 122 Ca 0.38 2.36 -0.30 0.00 0.71 0.00 0.00 52.55 55.70 3kup s ASP 122 Cb -0.12 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.11 3kup s ASP 122 CO 0.27 -0.56 1.37 -2.16 0.21 0.00 0.00 175.17 174.31 3kup s PRO 123 N 0.27 4.32 -0.20 8.23 0.04 -1.26 -0.66 135.00 145.74 3kup s PRO 123 Ca 0.59 2.23 -0.17 0.00 0.04 0.00 0.00 61.00 63.69 3kup s PRO 123 Cb -0.36 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 30.99 3kup s PRO 123 CO 0.36 -0.32 -0.32 -1.91 0.04 0.00 0.00 177.00 174.85 3kup n GLU 124 N 1.91 0.53 -3.55 4.56 2.13 0.42 -4.68 120.64 121.96 3kup n GLU 124 Ca 0.04 0.26 -0.14 0.00 0.66 0.00 0.00 57.16 57.98 3kup n GLU 124 Cb 0.41 -1.47 -0.06 0.00 0.27 0.00 0.00 31.44 30.59 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 -2.76 0.84 -0.27 5.31 3.52 -0.92 -5.01 118.95 119.66 3kup s ARG 125 Ca -0.29 0.25 -0.27 0.00 -0.13 0.00 0.00 55.73 55.28 3kup s ARG 125 Cb 0.06 0.40 0.01 0.00 -1.56 0.00 0.00 34.95 33.85 3kup s ARG 125 CO 0.43 -0.25 0.94 0.42 -0.81 0.00 0.00 175.30 176.02 3kup s ILE 126 N -1.06 4.71 0.16 4.11 1.01 -1.26 -0.49 121.20 128.38 3kup s ILE 126 Ca -0.06 1.67 -0.03 0.00 0.00 0.00 0.00 60.65 62.23 3kup s ILE 126 Cb -0.00 -4.24 -0.12 0.00 0.01 0.00 0.00 42.46 38.10 3kup s ILE 126 CO 0.06 -0.22 1.41 0.40 0.00 0.00 0.00 174.94 176.58 3kup h ILE 127 N 5.53 1.36 -1.78 2.92 2.04 -1.08 -3.47 117.51 123.02 3kup h ILE 127 Ca -0.21 -2.12 0.37 0.00 1.00 0.00 0.00 64.86 63.89 3kup h ILE 127 Cb 1.08 2.10 -0.09 0.00 -0.74 0.00 0.00 36.82 39.17 3kup h ILE 127 CO 0.94 0.64 0.94 -0.83 0.00 0.00 0.00 178.15 179.84 3kup s GLY 128 N -4.28 -0.26 0.03 5.37 0.00 -1.23 -5.00 107.32 101.94 3kup s GLY 128 Ca -0.06 0.34 0.01 0.00 0.00 0.00 0.00 44.72 45.01 3kup s GLY 128 CO 0.85 4.11 -0.06 0.00 0.00 0.00 0.00 173.10 178.00 3kup s ALA 129 N -2.08 0.37 -0.13 3.20 0.00 -1.26 -1.00 121.76 120.85 3kup s ALA 129 Ca 0.25 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 3kup s ALA 129 Cb 0.02 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.29 3kup s ALA 129 CO -0.03 -0.08 0.61 -0.08 0.00 0.00 0.00 175.76 176.18 3kup s THR 130 N -1.41 0.01 -0.25 0.00 -1.32 -0.29 -5.00 115.64 107.37 3kup s THR 130 Ca -0.13 -0.06 0.12 0.00 -1.21 0.00 0.00 61.69 60.42 3kup s THR 130 Cb -0.10 -0.90 0.53 0.00 -1.51 0.00 0.00 72.50 70.52 3kup s THR 130 CO -0.00 -0.03 1.47 -0.90 -2.21 0.00 0.00 174.62 172.95 3kup n ASP 131 N 1.82 3.25 0.29 8.08 5.68 -1.26 -0.65 116.55 133.76 3kup n ASP 131 Ca -0.17 -3.40 0.19 0.00 -0.50 0.00 0.00 54.79 50.91 3kup n ASP 131 Cb 0.56 -0.61 0.83 0.00 -1.14 0.00 0.00 41.12 40.77 3kup n ASP 131 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3kup h SER 132 N 1.39 0.00 1.00 -1.12 4.64 -1.95 -1.18 113.55 116.33 3kup h SER 132 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3kup h SER 132 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 3kup h SER 132 CO 0.35 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 174.78 3kup n SER 133 N -3.11 0.14 0.00 4.97 3.41 -1.26 -4.92 113.62 112.85 3kup n SER 133 Ca -0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 3kup n SER 133 Cb 0.24 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 1.23 0.38 3.08 5.00 0.00 -0.44 -5.07 105.19 109.37 3kup n GLY 134 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 3kup n GLY 134 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kup s GLU 135 N -0.76 0.50 -0.06 1.61 -1.05 -1.26 -5.08 118.70 112.60 3kup s GLU 135 Ca 0.00 -0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 53.86 3kup s GLU 135 Cb 0.00 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.85 3kup s GLU 135 CO 0.00 -0.12 1.23 -1.17 0.95 0.00 0.00 175.26 176.16 3kup s LEU 136 N -1.84 4.27 0.07 1.83 2.96 -1.26 -4.28 118.68 120.42 3kup s LEU 136 Ca -0.09 1.83 0.05 0.00 -0.22 0.00 0.00 54.13 55.71 3kup s LEU 136 Cb -0.04 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 3kup s LEU 136 CO -0.03 -0.63 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.19 3kup s MET 137 N 2.42 0.87 -0.04 1.98 -1.94 0.18 -1.35 119.30 121.42 3kup s MET 137 Ca 0.57 -0.93 0.01 0.00 -1.71 0.00 0.00 55.69 53.62 3kup s MET 137 Cb -0.25 -0.90 -0.03 0.00 2.01 0.00 0.00 34.83 35.66 3kup s MET 137 CO 0.21 0.21 -0.02 -0.06 -0.01 0.00 0.00 175.02 175.35 3kup s PHE 138 N -1.18 3.05 -0.43 -0.03 0.08 -0.23 -1.14 117.98 118.10 3kup s PHE 138 Ca -0.01 0.09 -0.22 0.00 0.12 0.00 0.00 56.93 56.91 3kup s PHE 138 Cb -0.10 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.67 3kup s PHE 138 CO 0.02 0.43 0.72 -1.17 -0.10 0.00 0.00 175.22 175.13 3kup s LEU 139 N -1.19 4.31 -0.20 -0.37 2.96 -0.17 -0.50 118.68 123.53 3kup s LEU 139 Ca 0.16 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.90 3kup s LEU 139 Cb -0.11 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 3kup s LEU 139 CO 0.06 -0.82 0.06 -0.32 -1.32 0.00 0.00 176.35 174.01 3kup s MET 140 N 3.06 3.88 -0.17 1.98 -2.45 0.84 -0.39 119.30 126.05 3kup s MET 140 Ca 0.27 -0.39 -0.21 0.00 -1.25 0.00 0.00 55.69 54.12 3kup s MET 140 Cb -0.13 -3.23 -0.03 0.00 1.25 0.00 0.00 34.83 32.69 3kup s MET 140 CO 0.20 0.16 0.62 0.21 1.05 0.00 0.00 175.02 177.26 3kup s LYS 141 N 0.68 4.26 0.21 4.11 2.47 0.36 -1.98 119.74 129.85 3kup s LYS 141 Ca 0.03 0.63 -0.05 0.00 -1.56 0.00 0.00 55.97 55.02 3kup s LYS 141 Cb -0.13 -3.54 -0.06 0.00 -1.46 0.00 0.00 37.83 32.64 3kup s LYS 141 CO 0.02 -0.14 0.47 -1.58 0.16 0.00 0.00 175.35 174.28 3kup s TRP 142 N 1.56 3.46 0.28 4.03 0.52 -1.26 -0.44 118.94 127.09 3kup s TRP 142 Ca 0.30 0.62 -0.30 0.00 0.02 0.00 0.00 56.10 56.74 3kup s TRP 142 Cb -0.16 -2.07 -0.10 0.00 -1.15 0.00 0.00 33.47 29.99 3kup s TRP 142 CO 0.11 0.31 1.46 -1.59 0.02 0.00 0.00 176.95 177.27 3kup s LYS 143 N -3.05 4.23 -1.22 4.98 0.00 0.17 -2.86 119.74 121.99 3kup s LYS 143 Ca 0.43 2.37 0.00 0.00 0.00 0.00 0.00 55.97 58.77 3kup s LYS 143 Cb -0.11 -3.07 0.00 0.00 0.00 0.00 0.00 37.83 34.64 3kup s LYS 143 CO 0.26 -0.45 0.00 -0.25 0.00 0.00 0.00 175.35 174.91 3kup n ASP 144 N 1.95 -4.27 -3.73 0.03 8.00 -1.26 -4.73 116.55 112.54 3kup n ASP 144 Ca 0.06 0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.58 3kup n ASP 144 Cb 0.40 -3.19 -0.11 0.00 -0.02 0.00 0.00 41.12 38.20 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 -2.63 -0.43 0.00 -2.24 0.15 -1.13 -5.03 113.70 102.39 3kup s SER 145 Ca 0.00 0.80 0.22 0.00 0.70 0.00 0.00 55.95 57.67 3kup s SER 145 Cb 0.00 0.76 0.55 0.00 -1.71 0.00 0.00 66.02 65.62 3kup s SER 145 CO 0.00 -0.15 1.45 0.47 1.20 0.00 0.00 173.24 176.21 3kup n ASP 146 N 3.34 2.68 -4.46 5.45 10.43 -1.26 -4.33 116.55 128.39 3kup n ASP 146 Ca -0.17 -1.88 -0.43 0.00 2.57 0.00 0.00 54.79 54.88 3kup n ASP 146 Cb 0.56 -0.17 -0.06 0.00 1.84 0.00 0.00 41.12 43.30 3kup n ASP 146 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3kup s GLU 147 N -1.66 3.17 0.24 -1.24 2.02 -1.26 -5.04 118.70 114.93 3kup s GLU 147 Ca 0.35 -0.74 -0.12 0.00 0.02 0.00 0.00 54.97 54.48 3kup s GLU 147 Cb 0.20 -4.09 -0.08 0.00 0.10 0.00 0.00 34.13 30.27 3kup s GLU 147 CO 0.29 -1.29 0.61 0.00 0.02 0.00 0.00 175.26 174.89 3kup s ALA 148 N 2.95 3.50 0.08 5.21 0.00 -1.26 -4.63 121.76 127.62 3kup s ALA 148 Ca 0.19 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.07 3kup s ALA 148 Cb -0.18 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 3kup s ALA 148 CO 0.14 0.44 -0.17 -0.51 0.00 0.00 0.00 175.76 175.66 3kup s ASP 149 N -2.17 2.06 -0.06 0.00 1.01 -0.84 -4.92 116.67 111.75 3kup s ASP 149 Ca 0.47 -0.64 -0.27 0.00 0.71 0.00 0.00 52.55 52.82 3kup s ASP 149 Cb -0.12 -0.09 -0.03 0.00 1.01 0.00 0.00 42.92 43.69 3kup s ASP 149 CO 0.20 -0.01 0.87 -0.76 0.21 0.00 0.00 175.17 175.68 3kup s LEU 150 N -1.79 4.31 0.11 1.23 1.43 -1.26 -0.11 118.68 122.59 3kup s LEU 150 Ca 0.02 1.42 0.08 0.00 -1.03 0.00 0.00 54.13 54.61 3kup s LEU 150 Cb -0.10 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 3kup s LEU 150 CO 0.03 -0.26 -0.19 0.68 0.23 0.00 0.00 176.35 176.85 3kup s VAL 151 N 1.24 1.59 0.25 -1.59 -7.23 0.35 -4.80 120.40 110.20 3kup s VAL 151 Ca 0.45 -1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 58.75 3kup s VAL 151 Cb -0.19 -1.51 -0.10 0.00 0.56 0.00 0.00 36.38 35.14 3kup s VAL 151 CO 0.21 -0.15 1.44 -0.76 -0.31 0.00 0.00 175.10 175.53 3kup s LEU 152 N -2.03 4.38 0.22 1.32 1.43 -1.26 -1.07 118.68 121.68 3kup s LEU 152 Ca 0.06 2.66 -0.09 0.00 -1.03 0.00 0.00 54.13 55.74 3kup s LEU 152 Cb -0.09 -3.62 0.20 0.00 0.03 0.00 0.00 46.19 42.71 3kup s LEU 152 CO 0.04 -0.71 1.89 0.00 0.23 0.00 0.00 176.35 177.81 3kup h ALA 153 N 5.09 1.07 -0.86 4.21 0.00 -1.54 -2.18 119.26 125.05 3kup h ALA 153 Ca -0.46 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.46 3kup h ALA 153 Cb 1.22 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3kup h ALA 153 CO 0.78 0.46 0.56 0.87 0.00 0.00 0.00 179.25 181.92 3kup h LYS 154 N 1.13 0.94 -0.31 0.00 1.79 -1.91 0.16 116.57 118.37 3kup h LYS 154 Ca 0.31 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.69 3kup h LYS 154 Cb -0.11 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.31 3kup h LYS 154 CO -0.07 0.62 0.05 0.93 -1.08 0.00 0.00 179.45 179.90 3kup h GLU 155 N 0.97 0.52 -0.83 3.15 5.08 -1.80 -3.09 114.58 118.57 3kup h GLU 155 Ca 0.36 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 3kup h GLU 155 Cb 0.18 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3kup h GLU 155 CO -0.13 0.62 0.42 0.00 -1.00 0.00 0.00 179.01 178.92 3kup h ALA 156 N 0.88 1.07 -0.98 3.43 0.00 -0.87 -0.45 119.26 122.35 3kup h ALA 156 Ca 0.09 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.01 3kup h ALA 156 Cb 0.35 -0.33 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 3kup h ALA 156 CO 0.01 0.62 0.61 -0.91 0.00 0.00 0.00 179.25 179.58 3kup h ASN 157 N 1.18 0.81 0.21 0.00 2.35 -0.68 0.11 115.58 119.56 3kup h ASN 157 Ca 0.29 0.06 -0.34 0.00 -0.55 0.00 0.00 56.30 55.76 3kup h ASN 157 Cb 0.08 -0.10 0.02 0.00 0.05 0.00 0.00 38.32 38.38 3kup h ASN 157 CO -0.04 0.38 -1.60 -0.03 -1.65 0.00 0.00 177.43 174.49 3kup h MET 158 N 0.84 0.45 0.09 0.81 4.05 -1.36 -3.25 114.93 116.56 3kup h MET 158 Ca 0.51 -0.77 -0.31 0.00 -0.28 0.00 0.00 59.70 58.84 3kup h MET 158 Cb 0.69 0.29 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 3kup h MET 158 CO -0.28 1.37 -1.66 0.87 0.23 0.00 0.00 176.91 177.44 3kup h LYS 159 N 0.09 0.19 -1.51 0.39 1.57 -0.80 -3.40 116.57 113.10 3kup h LYS 159 Ca -0.30 -0.33 -0.42 0.00 -1.87 0.00 0.00 60.65 57.73 3kup h LYS 159 Cb 2.10 0.12 -0.35 0.00 0.08 0.00 0.00 32.23 34.19 3kup h LYS 159 CO 0.21 1.00 -1.03 0.00 -0.57 0.00 0.00 179.45 179.06 3kup h PRO 161 N 2.98 0.37 0.00 0.00 0.13 -1.59 -1.54 132.00 132.36 3kup h PRO 161 Ca 0.04 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 65.00 3kup h PRO 161 Cb 1.01 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 3kup h PRO 161 CO 0.42 0.24 -0.70 1.96 -0.23 0.00 0.00 178.00 179.69 3kup h GLN 162 N 0.38 0.00 -0.50 0.86 1.08 -1.90 -0.79 115.11 114.24 3kup h GLN 162 Ca 0.31 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.43 3kup h GLN 162 Cb 0.68 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 3kup h GLN 162 CO -0.08 0.70 0.01 0.82 -0.95 0.00 0.00 178.83 179.33 3kup h ILE 163 N 0.00 1.26 -0.31 2.54 1.08 -1.69 -1.11 117.51 119.28 3kup h ILE 163 Ca -0.01 -1.06 -0.01 0.00 -0.39 0.00 0.00 64.86 63.39 3kup h ILE 163 Cb 1.28 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 3kup h ILE 163 CO 0.09 0.37 0.15 0.58 -0.69 0.00 0.00 178.15 178.65 3kup h VAL 164 N 0.74 1.16 -0.63 1.67 2.07 -1.14 -2.18 116.25 117.94 3kup h VAL 164 Ca 0.14 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3kup h VAL 164 Cb 0.50 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3kup h VAL 164 CO 0.02 0.16 0.22 0.40 0.02 0.00 0.00 177.57 178.39 3kup h ILE 165 N 0.37 1.24 -0.86 4.57 2.04 -1.04 -2.01 117.51 121.81 3kup h ILE 165 Ca 0.11 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.20 3kup h ILE 165 Cb 0.12 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3kup h ILE 165 CO -0.01 0.31 0.56 0.00 0.00 0.00 0.00 178.15 179.00 3kup h ALA 166 N 1.08 1.13 -0.11 1.87 0.00 -1.12 0.12 119.26 122.23 3kup h ALA 166 Ca 0.21 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3kup h ALA 166 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kup h ALA 166 CO -0.01 0.42 0.02 0.35 0.00 0.00 0.00 179.25 180.03 3kup h PHE 167 N 1.10 0.03 -0.48 0.00 3.57 -1.02 -0.68 116.94 119.46 3kup h PHE 167 Ca 0.34 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 3kup h PHE 167 Cb -0.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3kup h PHE 167 CO -0.02 0.01 -0.17 1.88 -2.23 0.00 0.00 178.31 177.78 3kup h TYR 168 N 0.06 1.09 -0.09 0.41 0.05 -0.92 -1.13 116.97 116.45 3kup h TYR 168 Ca 0.05 -0.25 0.02 0.00 0.05 0.00 0.00 58.73 58.59 3kup h TYR 168 Cb 0.04 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 3kup h TYR 168 CO -0.12 1.06 -0.04 0.93 -1.05 0.00 0.00 178.16 178.95 3kup h GLU 169 N 0.81 -0.03 -0.74 4.88 5.08 -0.69 0.17 114.58 124.06 3kup h GLU 169 Ca 0.11 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 3kup h GLU 169 Cb 0.74 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 3kup h GLU 169 CO 0.06 -0.02 0.48 0.93 -1.00 0.00 0.00 179.01 179.47 3kup h GLU 170 N -0.03 0.63 0.00 2.33 5.08 -0.98 -2.97 114.58 118.64 3kup h GLU 170 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kup h GLU 170 Cb 0.10 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3kup h GLU 170 CO -0.11 0.41 0.00 -2.13 -1.00 0.00 0.00 179.01 176.18 3kup n ARG 171 N -4.49 0.00 0.00 2.33 0.63 -0.44 -4.38 116.66 110.31 3kup n ARG 171 Ca 0.12 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 3kup n ARG 171 Cb 0.33 -0.20 0.00 0.00 0.45 0.00 0.00 32.46 33.04 3kup n ARG 171 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3kup n LEU 172 N -1.26 1.27 0.00 6.15 4.77 0.53 -5.07 117.00 123.39 3kup n LEU 172 Ca 0.00 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3kup n LEU 172 Cb 0.00 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3kup n LEU 172 CO 0.00 0.24 0.00 0.41 -1.33 0.00 0.00 177.39 176.71