REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1y1u_1_B DATA FIRST_RESID 138 DATA SEQUENCE SQKHLQINQR FEELRLITQD TENELKKLQQ TQEYFIIQYQ ESLRIQAQFA DATA SEQUENCE QLGQLNPQER MSRETALQQK QVSLETWLQR EAQTLQQYRV ELAEKHQKTL DATA SEQUENCE QLLRKQQTII LDDELIQWKR RQQLAGNGGP PEGSLDVLQS WCEKLAEIIW DATA SEQUENCE QNRQQIRRAE HLCQQLPIPG PVEEMLAEVN ATITDIISAL VTSTFIIEKQ DATA SEQUENCE PPQVLKTQTK FAATVRLLVG GKLNVHMNPP QVKATIISEQ QAKSLLKNEN DATA SEQUENCE TRNECSGEIL NNCCVMEYHQ ATGTLSAHFR NMSLKRXXXX XXXXXESVTE DATA SEQUENCE EKFTVLFESQ FSVGSNELVF QVKTLSLPVV VIVHGSQDHN ATATVLWDNA DATA SEQUENCE FAEPGRVPFA VPDKVLWPQL CEALNMKFKA EVQSNRGLTK ENLVFLAQKL DATA SEQUENCE FNISSNHLED YNSMSVSWSQ FNRENLPGWN YTFWQWFDGV MEVLKKHHKP DATA SEQUENCE HWNDGAILGF VNKQQAHDLL INKPDGTFLL RFSDSEIGGI TIAWKFDSPD DATA SEQUENCE RNLWNLKPFT TRDFSIRSLA DRLGDLNYLI YVFPDRPKDE VFAKYYTPVL DATA SEQUENCE AKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 138 S HA 0.000 nan 4.470 nan 0.000 0.327 138 S C 0.000 174.664 174.600 0.106 0.000 1.055 138 S CA 0.000 58.236 58.200 0.061 0.000 1.107 138 S CB 0.000 63.220 63.200 0.033 0.000 0.593 139 Q N 3.235 123.108 119.800 0.122 0.000 2.499 139 Q HA 0.436 4.776 4.340 0.000 0.000 0.213 139 Q C 1.102 177.169 176.000 0.112 0.000 0.929 139 Q CA 1.106 56.969 55.803 0.100 0.000 0.904 139 Q CB -0.166 28.614 28.738 0.069 0.000 1.052 139 Q HN 0.496 nan 8.270 nan 0.000 0.589 140 K N -0.459 120.029 120.400 0.147 0.000 2.296 140 K HA 0.036 4.356 4.320 0.000 0.000 0.200 140 K C 1.671 178.291 176.600 0.033 0.000 1.048 140 K CA 1.155 57.490 56.287 0.080 0.000 0.966 140 K CB -0.196 32.348 32.500 0.074 0.000 0.754 140 K HN 0.370 nan 8.250 nan 0.000 0.466 141 H N -0.339 118.777 119.070 0.077 0.000 2.294 141 H HA 0.115 4.671 4.556 0.000 0.000 0.306 141 H C 0.966 176.365 175.328 0.119 0.000 1.065 141 H CA 0.759 56.897 56.048 0.149 0.000 1.343 141 H CB -0.072 29.890 29.762 0.333 0.000 1.396 141 H HN -0.101 nan 8.280 nan 0.000 0.506 142 L N 1.716 123.095 121.223 0.260 0.000 2.834 142 L HA -0.101 4.239 4.340 0.000 0.000 0.252 142 L C 1.605 178.523 176.870 0.080 0.000 1.152 142 L CA 1.137 56.080 54.840 0.172 0.000 0.898 142 L CB -0.922 41.223 42.059 0.144 0.000 1.078 142 L HN 0.478 nan 8.230 nan 0.000 0.439 143 Q N 0.180 119.993 119.800 0.022 0.000 2.324 143 Q HA -0.009 4.331 4.340 0.000 0.000 0.207 143 Q C 2.228 178.154 176.000 -0.123 0.000 0.928 143 Q CA 0.316 56.092 55.803 -0.044 0.000 0.890 143 Q CB 0.362 29.062 28.738 -0.063 0.000 1.001 143 Q HN 0.624 nan 8.270 nan 0.000 0.517 144 I N -1.726 118.708 120.570 -0.227 0.000 2.761 144 I HA -0.048 4.122 4.170 0.000 0.000 0.261 144 I C 0.984 176.971 176.117 -0.217 0.000 1.198 144 I CA 0.707 61.754 61.300 -0.421 0.000 1.482 144 I CB -0.418 37.112 38.000 -0.783 0.000 1.100 144 I HN 0.074 nan 8.210 nan 0.000 0.445 145 N N 1.696 120.409 118.700 0.023 0.000 2.453 145 N HA -0.144 4.596 4.740 0.000 0.000 0.183 145 N C 1.740 177.352 175.510 0.170 0.000 1.041 145 N CA 1.146 54.341 53.050 0.241 0.000 0.900 145 N CB -0.064 38.581 38.487 0.264 0.000 0.961 145 N HN 0.657 nan 8.380 nan 0.000 0.443 146 Q N 0.298 120.136 119.800 0.063 0.000 2.084 146 Q HA 0.144 4.484 4.340 0.000 0.000 0.194 146 Q C 1.958 177.962 176.000 0.007 0.000 0.969 146 Q CA 0.331 56.157 55.803 0.039 0.000 0.829 146 Q CB -0.011 28.731 28.738 0.008 0.000 0.904 146 Q HN 0.120 nan 8.270 nan 0.000 0.464 147 R N -0.110 120.335 120.500 -0.091 0.000 2.226 147 R HA -0.181 4.159 4.340 0.000 0.000 0.246 147 R C 1.751 177.954 176.300 -0.162 0.000 1.161 147 R CA 1.294 57.294 56.100 -0.168 0.000 0.997 147 R CB -0.106 30.019 30.300 -0.293 0.000 0.870 147 R HN 0.231 nan 8.270 nan 0.000 0.465 148 F N 0.089 120.007 119.950 -0.053 0.000 2.118 148 F HA -0.137 4.390 4.527 -0.000 0.000 0.293 148 F C 2.399 178.203 175.800 0.006 0.000 1.102 148 F CA 1.273 59.262 58.000 -0.019 0.000 1.247 148 F CB -0.020 38.982 39.000 0.003 0.000 1.017 148 F HN 0.155 nan 8.300 nan 0.000 0.475 149 E N -0.123 120.204 120.200 0.212 0.000 2.427 149 E HA -0.123 4.227 4.350 0.000 0.000 0.196 149 E C 1.570 178.219 176.600 0.082 0.000 1.028 149 E CA 0.709 57.186 56.400 0.129 0.000 0.864 149 E CB -0.256 29.505 29.700 0.101 0.000 0.813 149 E HN 0.365 nan 8.360 nan 0.000 0.514 150 E N 1.408 121.645 120.200 0.062 0.000 2.008 150 E HA -0.106 4.244 4.350 0.000 0.000 0.191 150 E C 2.262 178.889 176.600 0.045 0.000 0.986 150 E CA 0.851 57.271 56.400 0.034 0.000 0.807 150 E CB -0.356 29.347 29.700 0.005 0.000 0.766 150 E HN 0.350 nan 8.360 nan 0.000 0.450 151 L N 0.698 121.953 121.223 0.053 0.000 2.123 151 L HA -0.306 4.034 4.340 0.000 0.000 0.217 151 L C 2.794 179.721 176.870 0.095 0.000 1.081 151 L CA 1.601 56.487 54.840 0.077 0.000 0.772 151 L CB -0.439 41.685 42.059 0.109 0.000 0.890 151 L HN 0.092 nan 8.230 nan 0.000 0.437 152 R N 0.471 121.036 120.500 0.107 0.000 2.070 152 R HA -0.195 4.145 4.340 0.000 0.000 0.232 152 R C 2.262 178.600 176.300 0.063 0.000 1.138 152 R CA 1.897 58.050 56.100 0.089 0.000 0.936 152 R CB -0.357 29.992 30.300 0.083 0.000 0.839 152 R HN 0.380 nan 8.270 nan 0.000 0.429 153 L N -0.769 120.484 121.223 0.051 0.000 2.044 153 L HA 0.095 4.435 4.340 0.000 0.000 0.205 153 L C 2.239 179.124 176.870 0.025 0.000 1.075 153 L CA 1.386 56.246 54.840 0.033 0.000 0.747 153 L CB -1.136 40.939 42.059 0.026 0.000 0.903 153 L HN 0.185 nan 8.230 nan 0.000 0.435 154 I N 0.916 121.500 120.570 0.025 0.000 2.118 154 I HA -0.313 3.857 4.170 0.000 0.000 0.241 154 I C 2.263 178.397 176.117 0.028 0.000 1.070 154 I CA 2.399 63.708 61.300 0.016 0.000 1.327 154 I CB -0.742 37.266 38.000 0.012 0.000 1.034 154 I HN 0.408 nan 8.210 nan 0.000 0.405 155 T N -0.053 114.533 114.554 0.054 0.000 2.759 155 T HA -0.248 4.102 4.350 0.000 0.000 0.269 155 T C 1.757 176.490 174.700 0.056 0.000 1.042 155 T CA 1.696 63.840 62.100 0.073 0.000 1.140 155 T CB -0.359 68.561 68.868 0.087 0.000 0.864 155 T HN 0.403 nan 8.240 nan 0.000 0.455 156 Q N 1.595 121.421 119.800 0.042 0.000 2.436 156 Q HA -0.072 4.268 4.340 0.000 0.000 0.209 156 Q C 1.504 177.514 176.000 0.018 0.000 0.965 156 Q CA 1.448 57.271 55.803 0.033 0.000 0.910 156 Q CB -0.226 28.530 28.738 0.031 0.000 0.980 156 Q HN 0.771 nan 8.270 nan 0.000 0.491 157 D N -2.921 117.482 120.400 0.006 0.000 2.388 157 D HA -0.055 4.585 4.640 0.000 0.000 0.208 157 D C 1.482 177.762 176.300 -0.032 0.000 1.035 157 D CA 1.023 55.014 54.000 -0.015 0.000 0.875 157 D CB -0.517 40.268 40.800 -0.025 0.000 0.984 157 D HN 0.201 nan 8.370 nan 0.000 0.508 158 T N -0.912 113.624 114.554 -0.030 0.000 2.788 158 T HA -0.233 4.117 4.350 0.000 0.000 0.268 158 T C 1.656 176.349 174.700 -0.012 0.000 1.044 158 T CA 1.482 63.539 62.100 -0.072 0.000 1.139 158 T CB -0.446 68.330 68.868 -0.154 0.000 0.867 158 T HN 0.280 nan 8.240 nan 0.000 0.454 159 E N 1.664 121.886 120.200 0.036 0.000 2.511 159 E HA -0.009 4.341 4.350 0.000 0.000 0.196 159 E C 1.423 178.031 176.600 0.014 0.000 1.066 159 E CA 0.392 56.815 56.400 0.038 0.000 0.871 159 E CB -0.698 29.030 29.700 0.047 0.000 0.863 159 E HN 0.396 nan 8.360 nan 0.000 0.520 160 N N 1.163 119.861 118.700 -0.003 0.000 2.207 160 N HA -0.074 4.666 4.740 0.000 0.000 0.182 160 N C 1.424 176.916 175.510 -0.031 0.000 1.020 160 N CA 1.081 54.123 53.050 -0.013 0.000 0.858 160 N CB -0.019 38.457 38.487 -0.018 0.000 0.991 160 N HN 0.228 nan 8.380 nan 0.000 0.427 161 E N 1.242 121.408 120.200 -0.056 0.000 2.017 161 E HA -0.077 4.273 4.350 0.000 0.000 0.193 161 E C 1.966 178.547 176.600 -0.031 0.000 0.997 161 E CA 0.447 56.798 56.400 -0.082 0.000 0.804 161 E CB -0.345 29.280 29.700 -0.124 0.000 0.757 161 E HN 0.118 nan 8.360 nan 0.000 0.448 162 L N 1.285 122.504 121.223 -0.008 0.000 2.021 162 L HA -0.299 4.041 4.340 0.000 0.000 0.215 162 L C 2.404 179.297 176.870 0.039 0.000 1.074 162 L CA 1.895 56.753 54.840 0.031 0.000 0.760 162 L CB -0.683 41.410 42.059 0.057 0.000 0.889 162 L HN 0.251 nan 8.230 nan 0.000 0.433 163 K N 1.352 121.770 120.400 0.029 0.000 2.002 163 K HA -0.234 4.086 4.320 0.000 0.000 0.209 163 K C 2.028 178.657 176.600 0.048 0.000 1.048 163 K CA 2.195 58.503 56.287 0.035 0.000 0.930 163 K CB -0.256 32.259 32.500 0.025 0.000 0.714 163 K HN 0.543 nan 8.250 nan 0.000 0.438 164 K N 0.908 121.333 120.400 0.041 0.000 2.062 164 K HA -0.069 4.251 4.320 0.000 0.000 0.205 164 K C 2.265 178.934 176.600 0.114 0.000 1.051 164 K CA 0.890 57.217 56.287 0.066 0.000 0.941 164 K CB -0.632 31.894 32.500 0.044 0.000 0.719 164 K HN 0.140 nan 8.250 nan 0.000 0.440 165 L N 1.215 122.502 121.223 0.106 0.000 2.551 165 L HA -0.130 4.210 4.340 0.000 0.000 0.230 165 L C 2.014 178.964 176.870 0.134 0.000 1.163 165 L CA 1.588 56.528 54.840 0.166 0.000 0.826 165 L CB -0.269 41.870 42.059 0.134 0.000 0.943 165 L HN 0.571 nan 8.230 nan 0.000 0.452 166 Q N -1.004 118.862 119.800 0.110 0.000 2.378 166 Q HA -0.074 4.266 4.340 0.000 0.000 0.229 166 Q C 1.763 177.836 176.000 0.122 0.000 0.882 166 Q CA 0.138 56.004 55.803 0.106 0.000 0.936 166 Q CB 0.482 29.269 28.738 0.082 0.000 1.092 166 Q HN 0.596 nan 8.270 nan 0.000 0.535 167 Q N -0.221 119.653 119.800 0.123 0.000 2.020 167 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 167 Q C 1.942 178.071 176.000 0.214 0.000 0.982 167 Q CA 2.221 58.108 55.803 0.140 0.000 0.838 167 Q CB -0.099 28.704 28.738 0.109 0.000 0.899 167 Q HN 0.301 nan 8.270 nan 0.000 0.423 168 T N 1.177 115.869 114.554 0.230 0.000 2.505 168 T HA -0.313 4.037 4.350 0.000 0.000 0.259 168 T C 1.758 176.631 174.700 0.289 0.000 1.158 168 T CA 1.679 63.948 62.100 0.280 0.000 1.190 168 T CB -0.519 68.475 68.868 0.211 0.000 0.864 168 T HN 0.321 nan 8.240 nan 0.000 0.413 169 Q N 0.146 120.060 119.800 0.190 0.000 2.082 169 Q HA -0.265 4.075 4.340 0.000 0.000 0.211 169 Q C 2.501 178.650 176.000 0.248 0.000 1.002 169 Q CA 2.098 58.006 55.803 0.176 0.000 0.868 169 Q CB -0.304 28.501 28.738 0.113 0.000 0.931 169 Q HN 0.472 nan 8.270 nan 0.000 0.414 170 E N -0.360 119.972 120.200 0.219 0.000 2.085 170 E HA -0.191 4.159 4.350 0.000 0.000 0.194 170 E C 1.571 178.333 176.600 0.271 0.000 0.994 170 E CA 1.392 57.914 56.400 0.204 0.000 0.801 170 E CB -0.312 29.486 29.700 0.164 0.000 0.743 170 E HN 0.507 nan 8.360 nan 0.000 0.453 171 Y N -1.091 119.313 120.300 0.172 0.000 2.153 171 Y HA -0.175 4.375 4.550 0.000 0.000 0.289 171 Y C 2.065 178.098 175.900 0.221 0.000 1.119 171 Y CA 1.225 59.425 58.100 0.167 0.000 1.116 171 Y CB -0.378 38.190 38.460 0.180 0.000 1.004 171 Y HN 0.139 nan 8.280 nan 0.000 0.501 172 F N 1.051 121.013 119.950 0.021 0.000 2.111 172 F HA -0.366 4.161 4.527 -0.000 0.000 0.300 172 F C 1.951 177.775 175.800 0.040 0.000 1.088 172 F CA 2.041 60.033 58.000 -0.012 0.000 1.243 172 F CB -0.489 38.563 39.000 0.088 0.000 0.996 172 F HN 0.115 nan 8.300 nan 0.000 0.483 173 I N -0.432 120.312 120.570 0.291 0.000 2.315 173 I HA -0.251 3.919 4.170 0.000 0.000 0.248 173 I C 2.178 178.305 176.117 0.018 0.000 1.117 173 I CA 1.055 62.453 61.300 0.163 0.000 1.404 173 I CB -0.336 37.744 38.000 0.134 0.000 1.071 173 I HN 0.214 nan 8.210 nan 0.000 0.419 174 I N 0.279 120.857 120.570 0.013 0.000 3.111 174 I HA -0.187 3.983 4.170 0.000 0.000 0.272 174 I C 2.295 178.352 176.117 -0.101 0.000 1.268 174 I CA 1.252 62.544 61.300 -0.014 0.000 1.467 174 I CB -0.440 37.593 38.000 0.054 0.000 1.087 174 I HN 0.194 nan 8.210 nan 0.000 0.467 175 Q N -0.406 119.252 119.800 -0.237 0.000 1.994 175 Q HA -0.229 4.111 4.340 0.000 0.000 0.198 175 Q C 2.173 178.043 176.000 -0.216 0.000 0.976 175 Q CA 1.897 57.510 55.803 -0.317 0.000 0.828 175 Q CB -0.952 27.477 28.738 -0.516 0.000 0.894 175 Q HN 0.592 nan 8.270 nan 0.000 0.432 176 Y N 1.699 121.733 120.300 -0.442 0.000 2.181 176 Y HA -0.401 4.149 4.550 -0.000 0.000 0.279 176 Y C 2.306 178.106 175.900 -0.167 0.000 1.228 176 Y CA 2.071 59.989 58.100 -0.304 0.000 1.164 176 Y CB 0.247 38.569 38.460 -0.230 0.000 0.959 176 Y HN 0.275 nan 8.280 nan 0.000 0.521 177 Q N -1.184 118.657 119.800 0.069 0.000 2.226 177 Q HA -0.140 4.200 4.340 0.000 0.000 0.199 177 Q C 2.087 178.077 176.000 -0.018 0.000 0.945 177 Q CA 0.971 56.789 55.803 0.026 0.000 0.861 177 Q CB -0.060 28.671 28.738 -0.013 0.000 0.953 177 Q HN 0.277 nan 8.270 nan 0.000 0.490 178 E N 0.450 120.617 120.200 -0.056 0.000 2.171 178 E HA -0.206 4.144 4.350 0.000 0.000 0.197 178 E C 1.822 178.375 176.600 -0.079 0.000 0.997 178 E CA 1.516 57.871 56.400 -0.075 0.000 0.810 178 E CB -0.266 29.370 29.700 -0.106 0.000 0.738 178 E HN 0.170 nan 8.360 nan 0.000 0.467 179 S N -1.074 114.580 115.700 -0.076 0.000 2.335 179 S HA -0.064 4.406 4.470 0.000 0.000 0.217 179 S C 1.827 176.403 174.600 -0.041 0.000 1.032 179 S CA 1.036 59.195 58.200 -0.069 0.000 0.985 179 S CB -0.383 62.766 63.200 -0.085 0.000 0.896 179 S HN 0.331 nan 8.310 nan 0.000 0.445 180 L N 1.284 122.504 121.223 -0.004 0.000 2.127 180 L HA -0.067 4.273 4.340 0.000 0.000 0.211 180 L C 2.633 179.492 176.870 -0.019 0.000 1.089 180 L CA 1.351 56.199 54.840 0.014 0.000 0.757 180 L CB -0.382 41.710 42.059 0.055 0.000 0.899 180 L HN 0.211 nan 8.230 nan 0.000 0.434 181 R N 0.609 121.086 120.500 -0.038 0.000 2.075 181 R HA -0.092 4.248 4.340 0.000 0.000 0.230 181 R C 1.813 178.053 176.300 -0.099 0.000 1.140 181 R CA 1.715 57.780 56.100 -0.058 0.000 0.928 181 R CB -0.606 29.660 30.300 -0.058 0.000 0.834 181 R HN 0.479 nan 8.270 nan 0.000 0.429 182 I N -0.776 119.718 120.570 -0.128 0.000 3.535 182 I HA 0.004 4.174 4.170 0.000 0.000 0.307 182 I C 0.770 176.689 176.117 -0.330 0.000 1.200 182 I CA 0.603 61.774 61.300 -0.214 0.000 1.193 182 I CB 0.177 38.064 38.000 -0.188 0.000 1.003 182 I HN 0.196 nan 8.210 nan 0.000 0.505 183 Q N 1.503 121.173 119.800 -0.217 0.000 2.620 183 Q HA 0.299 4.639 4.340 0.000 0.000 0.232 183 Q C 2.116 178.090 176.000 -0.044 0.000 0.836 183 Q CA 1.068 56.798 55.803 -0.121 0.000 0.938 183 Q CB 0.418 29.164 28.738 0.014 0.000 1.242 183 Q HN 0.616 nan 8.270 nan 0.000 0.624 184 A N 1.257 124.059 122.820 -0.030 0.000 2.264 184 A HA -0.085 4.235 4.320 0.000 0.000 0.207 184 A C 1.624 179.184 177.584 -0.040 0.000 1.196 184 A CA 0.660 52.696 52.037 -0.001 0.000 0.778 184 A CB -0.110 18.891 19.000 0.000 0.000 0.779 184 A HN 0.189 nan 8.150 nan 0.000 0.483 185 Q N -1.387 118.326 119.800 -0.145 0.000 2.432 185 Q HA 0.062 4.402 4.340 0.000 0.000 0.205 185 Q C 1.127 177.033 176.000 -0.156 0.000 0.945 185 Q CA 0.749 56.441 55.803 -0.185 0.000 0.924 185 Q CB -0.191 28.376 28.738 -0.285 0.000 1.016 185 Q HN 0.867 nan 8.270 nan 0.000 0.503 186 F N 0.074 120.020 119.950 -0.006 0.000 2.187 186 F HA -0.032 4.495 4.527 -0.000 0.000 0.295 186 F C 2.237 178.034 175.800 -0.004 0.000 1.091 186 F CA 0.561 58.557 58.000 -0.006 0.000 1.308 186 F CB -0.048 38.949 39.000 -0.006 0.000 1.030 186 F HN 0.019 nan 8.300 nan 0.000 0.487 187 A N -0.757 122.176 122.820 0.188 0.000 2.216 187 A HA -0.146 4.174 4.320 0.000 0.000 0.214 187 A C 1.709 179.332 177.584 0.065 0.000 1.160 187 A CA 1.144 53.242 52.037 0.103 0.000 0.725 187 A CB -0.479 18.566 19.000 0.074 0.000 0.784 187 A HN 0.492 nan 8.150 nan 0.000 0.472 188 Q N -0.943 118.889 119.800 0.055 0.000 2.171 188 Q HA 0.179 4.519 4.340 0.000 0.000 0.218 188 Q C 0.891 176.909 176.000 0.029 0.000 0.822 188 Q CA -0.193 55.626 55.803 0.028 0.000 0.987 188 Q CB 0.322 29.063 28.738 0.004 0.000 1.144 188 Q HN 0.716 nan 8.270 nan 0.000 0.494 189 L N -3.378 117.879 121.223 0.056 0.000 2.622 189 L HA 0.243 4.583 4.340 0.000 0.000 0.233 189 L C 1.725 178.620 176.870 0.041 0.000 1.156 189 L CA 1.093 55.966 54.840 0.055 0.000 0.866 189 L CB -0.869 41.248 42.059 0.097 0.000 0.980 189 L HN -0.018 nan 8.230 nan 0.000 0.448 190 G N -0.410 108.412 108.800 0.036 0.000 2.501 190 G HA2 -0.206 3.754 3.960 0.000 0.000 0.220 190 G HA3 -0.206 3.754 3.960 0.000 0.000 0.220 190 G C 0.747 175.658 174.900 0.018 0.000 1.114 190 G CA 0.190 45.305 45.100 0.026 0.000 0.757 190 G HN 0.575 nan 8.290 nan 0.000 0.559 191 Q N -0.184 119.625 119.800 0.016 0.000 2.423 191 Q HA 0.595 4.935 4.340 0.000 0.000 0.235 191 Q C -0.874 175.134 176.000 0.013 0.000 1.100 191 Q CA -0.045 55.765 55.803 0.011 0.000 0.908 191 Q CB 1.169 29.911 28.738 0.007 0.000 1.312 191 Q HN 0.229 nan 8.270 nan 0.000 0.497 192 L N 3.786 125.016 121.223 0.013 0.000 2.471 192 L HA 0.307 4.647 4.340 0.000 0.000 0.263 192 L C -0.428 176.449 176.870 0.011 0.000 0.985 192 L CA -0.760 54.089 54.840 0.015 0.000 0.868 192 L CB 0.831 42.901 42.059 0.019 0.000 1.203 192 L HN 0.648 nan 8.230 nan 0.000 0.429 193 N N 4.668 123.373 118.700 0.010 0.000 2.260 193 N HA 0.314 5.054 4.740 0.000 0.000 0.270 193 N C -2.236 173.279 175.510 0.008 0.000 1.281 193 N CA -0.642 52.412 53.050 0.008 0.000 0.918 193 N CB -0.703 37.788 38.487 0.006 0.000 1.028 193 N HN 0.186 nan 8.380 nan 0.000 0.482 194 P HA 0.088 nan 4.420 nan 0.000 0.199 194 P C 0.946 178.251 177.300 0.008 0.000 1.201 194 P CA 1.049 64.153 63.100 0.007 0.000 0.880 194 P CB -0.096 31.607 31.700 0.005 0.000 0.714 195 Q N -0.149 119.655 119.800 0.007 0.000 2.167 195 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 195 Q C 1.965 177.971 176.000 0.011 0.000 0.970 195 Q CA 1.506 57.314 55.803 0.008 0.000 0.855 195 Q CB -0.588 28.154 28.738 0.006 0.000 0.911 195 Q HN 0.351 nan 8.270 nan 0.000 0.438 196 E N 0.183 120.390 120.200 0.010 0.000 2.230 196 E HA -0.016 4.334 4.350 0.000 0.000 0.192 196 E C 1.166 177.776 176.600 0.016 0.000 0.987 196 E CA 0.637 57.044 56.400 0.011 0.000 0.841 196 E CB 0.200 29.904 29.700 0.008 0.000 0.783 196 E HN 0.142 nan 8.360 nan 0.000 0.481 197 R N -0.511 120.000 120.500 0.018 0.000 2.432 197 R HA 0.265 4.605 4.340 0.000 0.000 0.260 197 R C 1.281 177.602 176.300 0.034 0.000 0.935 197 R CA -0.113 56.003 56.100 0.027 0.000 1.080 197 R CB 0.284 30.598 30.300 0.023 0.000 1.155 197 R HN 0.114 nan 8.270 nan 0.000 0.531 198 M N -0.104 119.512 119.600 0.026 0.000 2.115 198 M HA -0.038 4.442 4.480 0.000 0.000 0.261 198 M C 1.922 178.242 176.300 0.034 0.000 1.079 198 M CA 1.621 56.938 55.300 0.027 0.000 1.143 198 M CB -0.626 31.984 32.600 0.016 0.000 1.332 198 M HN 0.013 nan 8.290 nan 0.000 0.421 199 S N -0.205 115.511 115.700 0.027 0.000 2.786 199 S HA 0.071 4.541 4.470 0.000 0.000 0.223 199 S C 1.377 175.997 174.600 0.032 0.000 0.956 199 S CA 0.224 58.440 58.200 0.027 0.000 0.961 199 S CB -0.346 62.864 63.200 0.017 0.000 0.784 199 S HN 0.411 nan 8.310 nan 0.000 0.519 200 R N -0.100 120.425 120.500 0.043 0.000 2.509 200 R HA 0.262 4.602 4.340 0.000 0.000 0.297 200 R C 1.328 177.682 176.300 0.091 0.000 0.951 200 R CA 0.077 56.204 56.100 0.045 0.000 1.103 200 R CB 0.197 30.511 30.300 0.023 0.000 1.283 200 R HN 0.494 nan 8.270 nan 0.000 0.534 201 E N 0.111 120.390 120.200 0.130 0.000 2.160 201 E HA -0.167 4.183 4.350 0.000 0.000 0.195 201 E C 1.422 178.156 176.600 0.223 0.000 0.991 201 E CA 1.438 57.985 56.400 0.245 0.000 0.810 201 E CB 0.087 29.865 29.700 0.130 0.000 0.742 201 E HN 0.087 nan 8.360 nan 0.000 0.466 202 T N 0.107 114.730 114.554 0.115 0.000 2.668 202 T HA -0.093 4.257 4.350 0.000 0.000 0.258 202 T C 1.928 176.675 174.700 0.078 0.000 1.051 202 T CA 1.354 63.502 62.100 0.081 0.000 1.155 202 T CB -0.192 68.703 68.868 0.046 0.000 0.864 202 T HN 0.247 nan 8.240 nan 0.000 0.413 203 A N 0.722 123.573 122.820 0.051 0.000 2.024 203 A HA 0.022 4.342 4.320 0.000 0.000 0.220 203 A C 2.284 179.881 177.584 0.021 0.000 1.164 203 A CA 1.223 53.276 52.037 0.026 0.000 0.643 203 A CB -0.750 18.254 19.000 0.007 0.000 0.806 203 A HN 0.557 nan 8.150 nan 0.000 0.451 204 L N -1.492 119.754 121.223 0.038 0.000 2.007 204 L HA -0.217 4.123 4.340 0.000 0.000 0.205 204 L C 2.888 179.830 176.870 0.120 0.000 1.073 204 L CA 1.650 56.474 54.840 -0.026 0.000 0.744 204 L CB -0.639 41.288 42.059 -0.219 0.000 0.898 204 L HN 0.415 nan 8.230 nan 0.000 0.435 205 Q N -0.427 119.568 119.800 0.325 0.000 2.135 205 Q HA -0.283 4.057 4.340 0.000 0.000 0.204 205 Q C 2.244 178.321 176.000 0.129 0.000 0.981 205 Q CA 1.714 57.689 55.803 0.286 0.000 0.856 205 Q CB -0.058 28.785 28.738 0.176 0.000 0.902 205 Q HN 0.506 nan 8.270 nan 0.000 0.425 206 Q N 0.118 119.969 119.800 0.085 0.000 2.119 206 Q HA -0.131 4.209 4.340 0.000 0.000 0.201 206 Q C 1.669 177.687 176.000 0.030 0.000 0.972 206 Q CA 1.021 56.852 55.803 0.047 0.000 0.847 206 Q CB 0.084 28.842 28.738 0.034 0.000 0.903 206 Q HN 0.204 nan 8.270 nan 0.000 0.433 207 K N 0.152 120.562 120.400 0.017 0.000 2.365 207 K HA -0.112 4.208 4.320 0.000 0.000 0.199 207 K C 1.916 178.510 176.600 -0.011 0.000 1.045 207 K CA 0.706 56.986 56.287 -0.012 0.000 0.962 207 K CB 0.166 32.641 32.500 -0.042 0.000 0.759 207 K HN 0.201 nan 8.250 nan 0.000 0.469 208 Q N -0.023 119.789 119.800 0.019 0.000 2.089 208 Q HA -0.053 4.287 4.340 0.000 0.000 0.195 208 Q C 2.047 178.065 176.000 0.030 0.000 0.963 208 Q CA 0.742 56.561 55.803 0.026 0.000 0.834 208 Q CB 0.246 29.033 28.738 0.081 0.000 0.906 208 Q HN 0.041 nan 8.270 nan 0.000 0.452 209 V N 1.203 121.142 119.914 0.041 0.000 2.282 209 V HA -0.334 3.786 4.120 0.000 0.000 0.249 209 V C 2.384 178.500 176.094 0.037 0.000 1.057 209 V CA 2.256 64.577 62.300 0.036 0.000 1.032 209 V CB -0.773 31.071 31.823 0.035 0.000 0.645 209 V HN 0.520 nan 8.190 nan 0.000 0.447 210 S N -0.641 115.080 115.700 0.035 0.000 2.368 210 S HA -0.120 4.350 4.470 0.000 0.000 0.224 210 S C 1.992 176.631 174.600 0.065 0.000 1.029 210 S CA 1.348 59.577 58.200 0.049 0.000 0.988 210 S CB -0.531 62.689 63.200 0.033 0.000 0.838 210 S HN 0.472 nan 8.310 nan 0.000 0.462 211 L N 1.281 122.518 121.223 0.024 0.000 1.961 211 L HA -0.099 4.241 4.340 0.000 0.000 0.210 211 L C 2.982 179.879 176.870 0.045 0.000 1.072 211 L CA 1.997 56.842 54.840 0.008 0.000 0.749 211 L CB -0.712 41.314 42.059 -0.055 0.000 0.889 211 L HN 0.361 nan 8.230 nan 0.000 0.432 212 E N -0.858 119.350 120.200 0.013 0.000 2.233 212 E HA -0.236 4.114 4.350 0.000 0.000 0.199 212 E C 1.928 178.548 176.600 0.034 0.000 1.004 212 E CA 1.835 58.237 56.400 0.003 0.000 0.819 212 E CB -0.025 29.673 29.700 -0.004 0.000 0.738 212 E HN 0.462 nan 8.360 nan 0.000 0.478 213 T N 0.076 114.668 114.554 0.064 0.000 2.701 213 T HA -0.169 4.181 4.350 0.000 0.000 0.263 213 T C 1.194 175.957 174.700 0.105 0.000 1.040 213 T CA 1.002 63.143 62.100 0.069 0.000 1.147 213 T CB -0.358 68.552 68.868 0.071 0.000 0.865 213 T HN 0.425 nan 8.240 nan 0.000 0.426 214 W N 1.901 123.184 121.300 -0.028 0.000 2.317 214 W HA -0.170 4.490 4.660 -0.000 0.000 0.318 214 W C 1.779 178.290 176.519 -0.014 0.000 1.227 214 W CA 1.188 58.520 57.345 -0.022 0.000 1.269 214 W CB -0.900 28.536 29.460 -0.040 0.000 1.155 214 W HN 0.259 nan 8.180 nan 0.000 0.484 215 L N 0.548 121.904 121.223 0.222 0.000 2.042 215 L HA -0.292 4.048 4.340 0.000 0.000 0.210 215 L C 2.763 179.707 176.870 0.125 0.000 1.076 215 L CA 2.045 56.950 54.840 0.107 0.000 0.749 215 L CB -1.102 40.910 42.059 -0.079 0.000 0.893 215 L HN 0.035 nan 8.230 nan 0.000 0.432 216 Q N 0.152 119.977 119.800 0.042 0.000 2.079 216 Q HA -0.215 4.125 4.340 0.000 0.000 0.200 216 Q C 2.255 178.238 176.000 -0.029 0.000 0.974 216 Q CA 1.598 57.409 55.803 0.013 0.000 0.840 216 Q CB -0.110 28.624 28.738 -0.007 0.000 0.898 216 Q HN 0.175 nan 8.270 nan 0.000 0.430 217 R N 0.039 120.492 120.500 -0.079 0.000 2.092 217 R HA -0.032 4.308 4.340 0.000 0.000 0.231 217 R C 1.960 178.117 176.300 -0.240 0.000 1.119 217 R CA 1.694 57.697 56.100 -0.163 0.000 0.970 217 R CB -0.139 30.038 30.300 -0.206 0.000 0.864 217 R HN 0.370 nan 8.270 nan 0.000 0.440 218 E N -0.951 119.091 120.200 -0.264 0.000 2.230 218 E HA -0.020 4.330 4.350 0.000 0.000 0.192 218 E C 1.670 178.156 176.600 -0.189 0.000 0.987 218 E CA 0.578 56.812 56.400 -0.276 0.000 0.841 218 E CB 0.067 29.626 29.700 -0.235 0.000 0.783 218 E HN 0.439 nan 8.360 nan 0.000 0.481 219 A N 1.510 124.286 122.820 -0.075 0.000 1.892 219 A HA -0.300 4.020 4.320 0.000 0.000 0.218 219 A C 2.129 179.582 177.584 -0.218 0.000 1.188 219 A CA 2.128 54.044 52.037 -0.202 0.000 0.631 219 A CB -0.674 18.299 19.000 -0.045 0.000 0.822 219 A HN 0.329 nan 8.150 nan 0.000 0.447 220 Q N -0.952 118.748 119.800 -0.167 0.000 2.230 220 Q HA -0.040 4.300 4.340 0.000 0.000 0.202 220 Q C 1.579 177.450 176.000 -0.215 0.000 0.963 220 Q CA 2.228 57.937 55.803 -0.157 0.000 0.866 220 Q CB -1.380 27.289 28.738 -0.116 0.000 0.931 220 Q HN 0.397 nan 8.270 nan 0.000 0.452 221 T N 0.795 115.169 114.554 -0.300 0.000 2.708 221 T HA -0.066 4.284 4.350 0.000 0.000 0.266 221 T C 1.426 175.784 174.700 -0.570 0.000 1.037 221 T CA 1.247 63.054 62.100 -0.487 0.000 1.146 221 T CB -0.314 68.234 68.868 -0.533 0.000 0.865 221 T HN 0.237 nan 8.240 nan 0.000 0.435 222 L N 1.150 122.123 121.223 -0.416 0.000 2.083 222 L HA -0.027 4.313 4.340 0.000 0.000 0.209 222 L C 2.487 179.242 176.870 -0.193 0.000 1.083 222 L CA 1.800 56.449 54.840 -0.317 0.000 0.752 222 L CB -0.807 41.007 42.059 -0.408 0.000 0.899 222 L HN 0.214 nan 8.230 nan 0.000 0.433 223 Q N -1.030 118.662 119.800 -0.180 0.000 2.083 223 Q HA -0.231 4.109 4.340 0.000 0.000 0.198 223 Q C 2.287 178.255 176.000 -0.053 0.000 0.969 223 Q CA 1.896 57.638 55.803 -0.101 0.000 0.838 223 Q CB -0.212 28.470 28.738 -0.093 0.000 0.900 223 Q HN 0.648 nan 8.270 nan 0.000 0.436 224 Q N -0.964 118.794 119.800 -0.069 0.000 1.990 224 Q HA -0.204 4.136 4.340 0.000 0.000 0.200 224 Q C 1.895 177.966 176.000 0.119 0.000 0.980 224 Q CA 1.606 57.412 55.803 0.005 0.000 0.832 224 Q CB -0.413 28.319 28.738 -0.010 0.000 0.897 224 Q HN 0.648 nan 8.270 nan 0.000 0.427 225 Y N -0.046 120.225 120.300 -0.047 0.000 2.151 225 Y HA -0.319 4.231 4.550 -0.000 0.000 0.284 225 Y C 2.747 178.625 175.900 -0.038 0.000 1.166 225 Y CA 0.907 58.983 58.100 -0.040 0.000 1.163 225 Y CB -0.065 38.375 38.460 -0.033 0.000 0.974 225 Y HN 0.194 nan 8.280 nan 0.000 0.511 226 R N 0.255 120.835 120.500 0.133 0.000 2.094 226 R HA -0.180 4.160 4.340 0.000 0.000 0.239 226 R C 2.141 178.467 176.300 0.042 0.000 1.137 226 R CA 1.820 57.958 56.100 0.063 0.000 0.943 226 R CB -0.913 29.401 30.300 0.023 0.000 0.850 226 R HN 0.124 nan 8.270 nan 0.000 0.433 227 V N 1.417 121.350 119.914 0.032 0.000 2.332 227 V HA -0.263 3.857 4.120 0.000 0.000 0.248 227 V C 2.104 178.206 176.094 0.013 0.000 1.055 227 V CA 2.113 64.425 62.300 0.020 0.000 1.038 227 V CB -0.566 31.265 31.823 0.013 0.000 0.651 227 V HN 0.414 nan 8.190 nan 0.000 0.450 228 E N -0.028 120.185 120.200 0.021 0.000 2.085 228 E HA -0.219 4.131 4.350 0.000 0.000 0.194 228 E C 2.214 178.781 176.600 -0.055 0.000 0.994 228 E CA 1.338 57.732 56.400 -0.010 0.000 0.801 228 E CB -0.308 29.387 29.700 -0.008 0.000 0.743 228 E HN 0.457 nan 8.360 nan 0.000 0.453 229 L N 0.576 121.763 121.223 -0.060 0.000 2.179 229 L HA 0.034 4.374 4.340 0.000 0.000 0.208 229 L C 2.212 178.996 176.870 -0.142 0.000 1.096 229 L CA 1.281 56.037 54.840 -0.141 0.000 0.779 229 L CB -0.658 41.343 42.059 -0.096 0.000 0.922 229 L HN -0.025 nan 8.230 nan 0.000 0.443 230 A N 0.904 123.717 122.820 -0.012 0.000 1.898 230 A HA -0.207 4.113 4.320 0.000 0.000 0.216 230 A C 1.964 179.571 177.584 0.037 0.000 1.181 230 A CA 1.424 53.498 52.037 0.063 0.000 0.620 230 A CB -0.481 18.555 19.000 0.059 0.000 0.819 230 A HN 0.710 nan 8.150 nan 0.000 0.442 231 E N -0.672 119.527 120.200 -0.001 0.000 2.502 231 E HA -0.044 4.306 4.350 0.000 0.000 0.194 231 E C 1.560 178.143 176.600 -0.027 0.000 1.062 231 E CA 0.936 57.334 56.400 -0.003 0.000 0.867 231 E CB -0.061 29.636 29.700 -0.006 0.000 0.888 231 E HN 0.503 nan 8.360 nan 0.000 0.510 232 K N 0.401 120.752 120.400 -0.082 0.000 2.137 232 K HA -0.003 4.317 4.320 0.000 0.000 0.202 232 K C 1.635 178.171 176.600 -0.107 0.000 1.052 232 K CA 1.015 57.225 56.287 -0.128 0.000 0.961 232 K CB 0.018 32.390 32.500 -0.214 0.000 0.741 232 K HN 0.267 nan 8.250 nan 0.000 0.452 233 H N -0.681 118.384 119.070 -0.008 0.000 2.299 233 H HA -0.086 4.470 4.556 -0.000 0.000 0.302 233 H C 2.003 177.327 175.328 -0.006 0.000 1.078 233 H CA 1.410 57.454 56.048 -0.007 0.000 1.323 233 H CB 0.111 29.868 29.762 -0.008 0.000 1.381 233 H HN 0.134 nan 8.280 nan 0.000 0.498 234 Q N 0.688 120.559 119.800 0.118 0.000 2.207 234 Q HA -0.298 4.042 4.340 0.000 0.000 0.215 234 Q C 2.058 178.081 176.000 0.040 0.000 1.006 234 Q CA 2.253 58.091 55.803 0.058 0.000 0.903 234 Q CB 0.025 28.783 28.738 0.033 0.000 0.947 234 Q HN 0.126 nan 8.270 nan 0.000 0.414 235 K N -1.132 119.285 120.400 0.029 0.000 2.021 235 K HA -0.061 4.259 4.320 0.000 0.000 0.205 235 K C 2.127 178.740 176.600 0.021 0.000 1.047 235 K CA 1.730 58.024 56.287 0.012 0.000 0.943 235 K CB -0.849 31.647 32.500 -0.007 0.000 0.725 235 K HN 0.316 nan 8.250 nan 0.000 0.439 236 T N 0.142 114.720 114.554 0.040 0.000 2.720 236 T HA -0.136 4.214 4.350 0.000 0.000 0.268 236 T C 1.854 176.581 174.700 0.046 0.000 1.037 236 T CA 1.606 63.736 62.100 0.050 0.000 1.144 236 T CB -0.286 68.632 68.868 0.083 0.000 0.864 236 T HN 0.190 nan 8.240 nan 0.000 0.444 237 L N 0.415 121.672 121.223 0.056 0.000 1.989 237 L HA -0.117 4.223 4.340 0.000 0.000 0.211 237 L C 3.115 179.995 176.870 0.016 0.000 1.071 237 L CA 1.778 56.640 54.840 0.036 0.000 0.749 237 L CB -0.810 41.270 42.059 0.035 0.000 0.890 237 L HN 0.310 nan 8.230 nan 0.000 0.431 238 Q N 0.248 120.055 119.800 0.012 0.000 2.062 238 Q HA -0.273 4.067 4.340 0.000 0.000 0.209 238 Q C 2.067 178.057 176.000 -0.017 0.000 0.996 238 Q CA 2.089 57.890 55.803 -0.003 0.000 0.859 238 Q CB -0.667 28.069 28.738 -0.003 0.000 0.920 238 Q HN 0.354 nan 8.270 nan 0.000 0.415 239 L N -0.462 120.750 121.223 -0.019 0.000 2.046 239 L HA -0.123 4.217 4.340 0.000 0.000 0.208 239 L C 2.079 178.917 176.870 -0.054 0.000 1.077 239 L CA 1.629 56.445 54.840 -0.040 0.000 0.747 239 L CB -0.904 41.134 42.059 -0.035 0.000 0.896 239 L HN 0.419 nan 8.230 nan 0.000 0.432 240 L N -0.303 120.905 121.223 -0.025 0.000 2.083 240 L HA -0.188 4.152 4.340 0.000 0.000 0.209 240 L C 2.690 179.543 176.870 -0.027 0.000 1.083 240 L CA 1.802 56.631 54.840 -0.019 0.000 0.752 240 L CB -0.775 41.299 42.059 0.026 0.000 0.899 240 L HN 0.313 nan 8.230 nan 0.000 0.433 241 R N -0.502 119.986 120.500 -0.019 0.000 2.120 241 R HA -0.179 4.161 4.340 0.000 0.000 0.234 241 R C 2.217 178.490 176.300 -0.044 0.000 1.123 241 R CA 1.314 57.402 56.100 -0.020 0.000 0.975 241 R CB -0.213 30.081 30.300 -0.010 0.000 0.866 241 R HN 0.227 nan 8.270 nan 0.000 0.446 242 K N 0.197 120.560 120.400 -0.063 0.000 1.984 242 K HA -0.150 4.170 4.320 0.000 0.000 0.209 242 K C 1.992 178.512 176.600 -0.133 0.000 1.046 242 K CA 1.895 58.129 56.287 -0.088 0.000 0.934 242 K CB -0.496 31.950 32.500 -0.091 0.000 0.717 242 K HN 0.098 nan 8.250 nan 0.000 0.438 243 Q N 0.733 120.424 119.800 -0.182 0.000 2.029 243 Q HA -0.287 4.053 4.340 0.000 0.000 0.209 243 Q C 2.163 178.036 176.000 -0.211 0.000 0.999 243 Q CA 2.598 58.228 55.803 -0.288 0.000 0.857 243 Q CB -0.565 27.939 28.738 -0.391 0.000 0.926 243 Q HN 0.450 nan 8.270 nan 0.000 0.415 244 Q N -0.765 118.967 119.800 -0.114 0.000 2.047 244 Q HA -0.228 4.112 4.340 0.000 0.000 0.211 244 Q C 1.962 177.931 176.000 -0.052 0.000 1.005 244 Q CA 3.026 58.801 55.803 -0.046 0.000 0.866 244 Q CB -0.896 27.834 28.738 -0.012 0.000 0.938 244 Q HN 0.511 nan 8.270 nan 0.000 0.414 245 T N 0.847 115.366 114.554 -0.058 0.000 2.607 245 T HA -0.167 4.183 4.350 0.000 0.000 0.267 245 T C 1.685 176.344 174.700 -0.068 0.000 1.049 245 T CA 1.558 63.627 62.100 -0.050 0.000 1.162 245 T CB -0.317 68.522 68.868 -0.048 0.000 0.863 245 T HN 0.210 nan 8.240 nan 0.000 0.424 246 I N 1.201 121.704 120.570 -0.111 0.000 2.118 246 I HA -0.138 4.032 4.170 0.000 0.000 0.241 246 I C 2.394 178.431 176.117 -0.133 0.000 1.070 246 I CA 1.038 62.256 61.300 -0.137 0.000 1.327 246 I CB -1.300 36.578 38.000 -0.203 0.000 1.034 246 I HN 0.233 nan 8.210 nan 0.000 0.405 247 I N -0.031 120.444 120.570 -0.158 0.000 2.076 247 I HA -0.293 3.877 4.170 0.000 0.000 0.237 247 I C 2.577 178.693 176.117 -0.003 0.000 1.059 247 I CA 1.588 62.826 61.300 -0.103 0.000 1.317 247 I CB -1.137 36.826 38.000 -0.062 0.000 1.037 247 I HN 0.170 nan 8.210 nan 0.000 0.398 248 L N 0.742 121.966 121.223 0.003 0.000 1.988 248 L HA -0.189 4.151 4.340 0.000 0.000 0.207 248 L C 2.228 179.116 176.870 0.030 0.000 1.071 248 L CA 1.858 56.715 54.840 0.029 0.000 0.744 248 L CB -1.039 41.035 42.059 0.025 0.000 0.893 248 L HN 0.266 nan 8.230 nan 0.000 0.433 249 D N -1.117 119.289 120.400 0.009 0.000 2.234 249 D HA -0.104 4.536 4.640 0.000 0.000 0.205 249 D C 1.349 177.660 176.300 0.018 0.000 0.962 249 D CA 0.822 54.830 54.000 0.014 0.000 0.855 249 D CB 0.155 40.956 40.800 0.001 0.000 0.951 249 D HN 0.342 nan 8.370 nan 0.000 0.500 250 D N 0.473 120.876 120.400 0.005 0.000 2.584 250 D HA -0.044 4.596 4.640 0.000 0.000 0.254 250 D C 2.032 178.364 176.300 0.054 0.000 1.085 250 D CA 0.418 54.427 54.000 0.014 0.000 0.971 250 D CB -0.040 40.748 40.800 -0.021 0.000 1.103 250 D HN -0.117 nan 8.370 nan 0.000 0.453 251 E N 0.915 121.143 120.200 0.047 0.000 2.065 251 E HA -0.179 4.171 4.350 0.000 0.000 0.201 251 E C 2.234 178.950 176.600 0.193 0.000 1.016 251 E CA 0.660 57.137 56.400 0.128 0.000 0.818 251 E CB -0.591 29.190 29.700 0.136 0.000 0.749 251 E HN 0.196 nan 8.360 nan 0.000 0.453 252 L N 0.432 121.748 121.223 0.154 0.000 2.023 252 L HA -0.103 4.237 4.340 0.000 0.000 0.205 252 L C 2.193 179.194 176.870 0.219 0.000 1.073 252 L CA 1.138 56.083 54.840 0.176 0.000 0.745 252 L CB -0.425 41.696 42.059 0.102 0.000 0.900 252 L HN 0.018 nan 8.230 nan 0.000 0.435 253 I N 0.188 120.844 120.570 0.143 0.000 2.181 253 I HA -0.383 3.787 4.170 0.000 0.000 0.247 253 I C 2.611 178.805 176.117 0.128 0.000 1.081 253 I CA 1.762 63.133 61.300 0.117 0.000 1.340 253 I CB -1.361 36.681 38.000 0.070 0.000 1.036 253 I HN 0.605 nan 8.210 nan 0.000 0.417 254 Q N -0.737 119.149 119.800 0.143 0.000 2.016 254 Q HA -0.262 4.078 4.340 0.000 0.000 0.200 254 Q C 2.380 178.479 176.000 0.166 0.000 0.978 254 Q CA 1.937 57.819 55.803 0.133 0.000 0.833 254 Q CB -0.337 28.485 28.738 0.140 0.000 0.895 254 Q HN 0.573 nan 8.270 nan 0.000 0.427 255 W N 1.658 122.990 121.300 0.052 0.000 2.350 255 W HA -0.194 4.466 4.660 -0.000 0.000 0.289 255 W C 1.815 178.344 176.519 0.017 0.000 1.215 255 W CA 1.482 58.851 57.345 0.040 0.000 1.236 255 W CB 0.112 29.602 29.460 0.050 0.000 1.130 255 W HN 0.034 nan 8.180 nan 0.000 0.541 256 K N 0.081 120.654 120.400 0.288 0.000 1.985 256 K HA -0.258 4.062 4.320 0.000 0.000 0.210 256 K C 2.146 178.688 176.600 -0.097 0.000 1.047 256 K CA 2.013 58.354 56.287 0.090 0.000 0.932 256 K CB -0.540 32.070 32.500 0.183 0.000 0.716 256 K HN 0.129 nan 8.250 nan 0.000 0.439 257 R N 1.357 121.835 120.500 -0.038 0.000 2.091 257 R HA -0.187 4.153 4.340 0.000 0.000 0.238 257 R C 2.256 178.478 176.300 -0.130 0.000 1.136 257 R CA 1.646 57.705 56.100 -0.067 0.000 0.959 257 R CB -0.218 30.066 30.300 -0.026 0.000 0.856 257 R HN -0.032 nan 8.270 nan 0.000 0.437 258 R N 0.644 121.051 120.500 -0.155 0.000 2.133 258 R HA -0.248 4.092 4.340 0.000 0.000 0.245 258 R C 2.396 178.519 176.300 -0.295 0.000 1.137 258 R CA 2.463 58.438 56.100 -0.209 0.000 0.947 258 R CB -0.486 29.667 30.300 -0.245 0.000 0.865 258 R HN 0.521 nan 8.270 nan 0.000 0.437 259 Q N -0.163 119.357 119.800 -0.466 0.000 2.030 259 Q HA -0.287 4.053 4.340 0.000 0.000 0.204 259 Q C 2.192 178.043 176.000 -0.247 0.000 0.986 259 Q CA 2.122 57.657 55.803 -0.447 0.000 0.843 259 Q CB -0.154 28.205 28.738 -0.632 0.000 0.904 259 Q HN 0.527 nan 8.270 nan 0.000 0.420 260 Q N -0.139 119.547 119.800 -0.190 0.000 2.112 260 Q HA -0.184 4.156 4.340 0.000 0.000 0.206 260 Q C 2.121 178.050 176.000 -0.118 0.000 0.987 260 Q CA 1.423 57.152 55.803 -0.122 0.000 0.858 260 Q CB -0.058 28.629 28.738 -0.085 0.000 0.905 260 Q HN 0.477 nan 8.270 nan 0.000 0.420 261 L N -0.298 120.850 121.223 -0.125 0.000 2.217 261 L HA -0.068 4.272 4.340 0.000 0.000 0.211 261 L C 2.458 179.267 176.870 -0.101 0.000 1.107 261 L CA 0.654 55.427 54.840 -0.113 0.000 0.783 261 L CB -0.620 41.379 42.059 -0.100 0.000 0.919 261 L HN 0.279 nan 8.230 nan 0.000 0.442 262 A N 0.679 123.427 122.820 -0.120 0.000 2.032 262 A HA -0.193 4.127 4.320 0.000 0.000 0.221 262 A C 2.371 179.908 177.584 -0.079 0.000 1.165 262 A CA 1.728 53.702 52.037 -0.105 0.000 0.645 262 A CB -1.108 17.806 19.000 -0.142 0.000 0.807 262 A HN 0.461 nan 8.150 nan 0.000 0.453 263 G N 0.320 109.069 108.800 -0.084 0.000 2.513 263 G HA2 -0.298 3.662 3.960 0.000 0.000 0.219 263 G HA3 -0.298 3.662 3.960 0.000 0.000 0.219 263 G C 1.007 175.884 174.900 -0.039 0.000 1.160 263 G CA 1.056 46.120 45.100 -0.061 0.000 0.767 263 G HN 0.583 nan 8.290 nan 0.000 0.571 264 N N 1.128 119.800 118.700 -0.048 0.000 2.375 264 N HA 0.228 4.968 4.740 0.000 0.000 0.220 264 N C 1.317 176.830 175.510 0.004 0.000 1.170 264 N CA 0.663 53.704 53.050 -0.015 0.000 0.833 264 N CB -0.074 38.381 38.487 -0.053 0.000 1.069 264 N HN 0.461 nan 8.380 nan 0.000 0.479 265 G N -0.370 108.423 108.800 -0.012 0.000 2.221 265 G HA2 -0.223 3.737 3.960 0.000 0.000 0.265 265 G HA3 -0.223 3.737 3.960 0.000 0.000 0.265 265 G C 0.581 175.469 174.900 -0.019 0.000 1.041 265 G CA 0.119 45.211 45.100 -0.012 0.000 0.807 265 G HN 0.596 nan 8.290 nan 0.000 0.502 266 G N -0.061 108.716 108.800 -0.038 0.000 2.651 266 G HA2 0.655 4.615 3.960 0.000 0.000 0.260 266 G HA3 0.655 4.615 3.960 0.000 0.000 0.260 266 G C -1.368 173.503 174.900 -0.048 0.000 1.216 266 G CA -0.432 44.642 45.100 -0.043 0.000 0.913 266 G HN 0.330 nan 8.290 nan 0.000 0.535 267 P HA 0.218 nan 4.420 nan 0.000 0.271 267 P C -2.626 174.631 177.300 -0.072 0.000 1.218 267 P CA -1.137 61.937 63.100 -0.043 0.000 0.780 267 P CB 0.301 31.984 31.700 -0.029 0.000 0.901 268 P HA -0.003 nan 4.420 nan 0.000 0.262 268 P C 0.843 178.071 177.300 -0.120 0.000 1.182 268 P CA 0.413 63.461 63.100 -0.088 0.000 0.761 268 P CB 0.259 31.932 31.700 -0.046 0.000 0.795 269 E N 2.381 122.438 120.200 -0.239 0.000 2.095 269 E HA -0.108 4.242 4.350 0.000 0.000 0.212 269 E C 1.216 177.752 176.600 -0.107 0.000 1.044 269 E CA 2.240 58.380 56.400 -0.434 0.000 0.857 269 E CB -0.712 28.465 29.700 -0.872 0.000 0.764 269 E HN 0.800 nan 8.360 nan 0.000 0.462 270 G N -0.984 107.855 108.800 0.064 0.000 2.479 270 G HA2 -0.098 3.862 3.960 0.000 0.000 0.686 270 G HA3 -0.098 3.862 3.960 0.000 0.000 0.686 270 G C -0.566 174.524 174.900 0.317 0.000 1.295 270 G CA -0.392 44.812 45.100 0.174 0.000 0.922 270 G HN 0.314 nan 8.290 nan 0.000 0.582 271 S N -0.826 114.974 115.700 0.166 0.000 2.531 271 S HA 0.325 4.795 4.470 0.000 0.000 0.279 271 S C 1.983 176.592 174.600 0.015 0.000 1.305 271 S CA 0.012 58.270 58.200 0.096 0.000 1.058 271 S CB 0.442 63.642 63.200 0.001 0.000 0.899 271 S HN 0.786 nan 8.310 nan 0.000 0.493 272 L N 3.700 124.866 121.223 -0.095 0.000 2.261 272 L HA -0.114 4.226 4.340 0.000 0.000 0.216 272 L C 1.806 178.485 176.870 -0.319 0.000 1.114 272 L CA 0.826 55.421 54.840 -0.409 0.000 0.777 272 L CB -0.412 41.377 42.059 -0.451 0.000 0.910 272 L HN 0.651 nan 8.230 nan 0.000 0.440 273 D N -0.475 119.795 120.400 -0.215 0.000 2.149 273 D HA -0.235 4.405 4.640 0.000 0.000 0.194 273 D C 2.168 178.286 176.300 -0.304 0.000 1.001 273 D CA 1.359 55.228 54.000 -0.218 0.000 0.849 273 D CB -0.261 40.440 40.800 -0.165 0.000 0.939 273 D HN 0.178 nan 8.370 nan 0.000 0.449 274 V N -0.009 119.699 119.914 -0.344 0.000 2.407 274 V HA -0.201 3.919 4.120 0.000 0.000 0.248 274 V C 2.203 177.780 176.094 -0.862 0.000 1.055 274 V CA 1.293 63.253 62.300 -0.566 0.000 1.049 274 V CB -0.126 31.444 31.823 -0.421 0.000 0.662 274 V HN 0.102 nan 8.190 nan 0.000 0.455 275 L N -0.531 120.384 121.223 -0.513 0.000 2.179 275 L HA -0.063 4.277 4.340 0.000 0.000 0.208 275 L C 2.454 179.235 176.870 -0.150 0.000 1.096 275 L CA 1.785 56.450 54.840 -0.292 0.000 0.779 275 L CB -0.537 41.419 42.059 -0.171 0.000 0.922 275 L HN 0.373 nan 8.230 nan 0.000 0.443 276 Q N -0.499 119.169 119.800 -0.220 0.000 2.016 276 Q HA -0.217 4.123 4.340 0.000 0.000 0.200 276 Q C 2.388 178.333 176.000 -0.091 0.000 0.978 276 Q CA 2.186 57.909 55.803 -0.133 0.000 0.833 276 Q CB -0.018 28.628 28.738 -0.154 0.000 0.895 276 Q HN 0.623 nan 8.270 nan 0.000 0.427 277 S N -0.012 115.584 115.700 -0.174 0.000 2.393 277 S HA -0.284 4.186 4.470 0.000 0.000 0.235 277 S C 1.576 176.176 174.600 0.001 0.000 1.061 277 S CA 1.653 59.763 58.200 -0.151 0.000 1.129 277 S CB -1.683 61.349 63.200 -0.281 0.000 1.011 277 S HN 0.632 nan 8.310 nan 0.000 0.436 278 W N 0.987 122.255 121.300 -0.053 0.000 2.290 278 W HA -0.271 4.389 4.660 -0.000 0.000 0.328 278 W C 2.990 179.539 176.519 0.051 0.000 1.272 278 W CA 0.654 58.040 57.345 0.068 0.000 1.262 278 W CB -1.015 28.542 29.460 0.161 0.000 1.151 278 W HN 0.415 nan 8.180 nan 0.000 0.473 279 C N 0.133 119.591 119.300 0.264 0.000 2.450 279 C HA -0.152 4.308 4.460 0.000 0.000 0.279 279 C C 2.535 177.579 174.990 0.090 0.000 1.335 279 C CA 1.535 60.651 59.018 0.164 0.000 1.749 279 C CB -1.444 26.353 27.740 0.094 0.000 1.963 279 C HN 0.465 nan 8.230 nan 0.000 0.501 280 E N 1.424 121.642 120.200 0.030 0.000 2.112 280 E HA -0.206 4.144 4.350 0.000 0.000 0.190 280 E C 1.868 178.457 176.600 -0.020 0.000 0.979 280 E CA 0.985 57.383 56.400 -0.003 0.000 0.814 280 E CB -0.331 29.348 29.700 -0.035 0.000 0.762 280 E HN 0.455 nan 8.360 nan 0.000 0.460 281 K N 1.179 121.522 120.400 -0.094 0.000 2.063 281 K HA -0.096 4.224 4.320 0.000 0.000 0.208 281 K C 2.174 178.746 176.600 -0.047 0.000 1.048 281 K CA 1.146 57.292 56.287 -0.234 0.000 0.928 281 K CB -0.248 31.826 32.500 -0.710 0.000 0.713 281 K HN 0.153 nan 8.250 nan 0.000 0.442 282 L N -0.283 121.023 121.223 0.138 0.000 1.976 282 L HA -0.212 4.128 4.340 0.000 0.000 0.209 282 L C 2.405 179.382 176.870 0.179 0.000 1.071 282 L CA 1.511 56.520 54.840 0.283 0.000 0.746 282 L CB -0.617 41.613 42.059 0.284 0.000 0.890 282 L HN 0.343 nan 8.230 nan 0.000 0.432 283 A N -0.520 122.379 122.820 0.132 0.000 1.948 283 A HA -0.319 4.001 4.320 0.000 0.000 0.220 283 A C 2.199 179.877 177.584 0.158 0.000 1.177 283 A CA 2.209 54.322 52.037 0.128 0.000 0.636 283 A CB -0.674 18.365 19.000 0.065 0.000 0.815 283 A HN 0.582 nan 8.150 nan 0.000 0.449 284 E N -0.541 119.726 120.200 0.112 0.000 2.051 284 E HA -0.174 4.176 4.350 0.000 0.000 0.192 284 E C 1.885 178.585 176.600 0.166 0.000 0.991 284 E CA 1.391 57.864 56.400 0.123 0.000 0.799 284 E CB -0.189 29.545 29.700 0.058 0.000 0.748 284 E HN 0.551 nan 8.360 nan 0.000 0.449 285 I N 1.373 122.033 120.570 0.148 0.000 2.617 285 I HA -0.140 4.030 4.170 0.000 0.000 0.256 285 I C 1.995 178.201 176.117 0.148 0.000 1.167 285 I CA 0.624 62.012 61.300 0.148 0.000 1.469 285 I CB -0.432 37.664 38.000 0.159 0.000 1.098 285 I HN 0.295 nan 8.210 nan 0.000 0.436 286 I N 0.577 121.250 120.570 0.172 0.000 2.277 286 I HA -0.258 3.912 4.170 0.000 0.000 0.243 286 I C 2.398 178.621 176.117 0.177 0.000 1.094 286 I CA 1.366 62.759 61.300 0.155 0.000 1.393 286 I CB -0.885 37.212 38.000 0.160 0.000 1.078 286 I HN 0.437 nan 8.210 nan 0.000 0.417 287 W N 1.950 123.280 121.300 0.049 0.000 2.374 287 W HA -0.253 4.407 4.660 -0.000 0.000 0.288 287 W C 2.286 178.824 176.519 0.031 0.000 1.218 287 W CA 1.299 58.671 57.345 0.045 0.000 1.245 287 W CB -0.166 29.327 29.460 0.055 0.000 1.126 287 W HN 0.341 nan 8.180 nan 0.000 0.545 288 Q N 0.455 120.337 119.800 0.136 0.000 1.927 288 Q HA -0.297 4.043 4.340 0.000 0.000 0.210 288 Q C 1.900 177.853 176.000 -0.079 0.000 1.001 288 Q CA 2.711 58.530 55.803 0.027 0.000 0.862 288 Q CB -0.960 27.825 28.738 0.079 0.000 0.934 288 Q HN 0.297 nan 8.270 nan 0.000 0.420 289 N N -0.267 118.410 118.700 -0.038 0.000 2.242 289 N HA -0.264 4.476 4.740 0.000 0.000 0.193 289 N C 1.624 176.986 175.510 -0.246 0.000 1.000 289 N CA 0.893 53.873 53.050 -0.115 0.000 0.885 289 N CB -0.032 38.425 38.487 -0.048 0.000 0.988 289 N HN 0.121 nan 8.380 nan 0.000 0.444 290 R N 1.415 121.756 120.500 -0.264 0.000 2.056 290 R HA -0.128 4.212 4.340 0.000 0.000 0.227 290 R C 2.016 178.074 176.300 -0.403 0.000 1.149 290 R CA 1.711 57.581 56.100 -0.383 0.000 0.937 290 R CB -0.360 29.589 30.300 -0.586 0.000 0.835 290 R HN 0.480 nan 8.270 nan 0.000 0.430 291 Q N 0.088 119.606 119.800 -0.469 0.000 2.297 291 Q HA -0.194 4.146 4.340 0.000 0.000 0.208 291 Q C 1.807 177.701 176.000 -0.177 0.000 0.981 291 Q CA 1.249 56.866 55.803 -0.311 0.000 0.876 291 Q CB -0.228 28.361 28.738 -0.249 0.000 0.921 291 Q HN 0.504 nan 8.270 nan 0.000 0.446 292 Q N 0.757 120.458 119.800 -0.165 0.000 2.020 292 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 292 Q C 2.335 178.276 176.000 -0.097 0.000 0.974 292 Q CA 1.406 57.158 55.803 -0.086 0.000 0.829 292 Q CB -0.140 28.580 28.738 -0.030 0.000 0.894 292 Q HN 0.563 nan 8.270 nan 0.000 0.433 293 I N -0.650 119.778 120.570 -0.235 0.000 2.830 293 I HA -0.137 4.033 4.170 0.000 0.000 0.263 293 I C 1.818 177.880 176.117 -0.091 0.000 1.230 293 I CA 1.415 62.612 61.300 -0.172 0.000 1.480 293 I CB -0.554 37.290 38.000 -0.259 0.000 1.095 293 I HN 0.068 nan 8.210 nan 0.000 0.455 294 R N 0.954 121.385 120.500 -0.116 0.000 2.148 294 R HA 0.028 4.368 4.340 0.000 0.000 0.223 294 R C 2.459 178.751 176.300 -0.013 0.000 1.088 294 R CA 0.819 56.873 56.100 -0.076 0.000 0.985 294 R CB -0.071 30.154 30.300 -0.126 0.000 0.880 294 R HN 0.336 nan 8.270 nan 0.000 0.451 295 R N -0.751 119.738 120.500 -0.018 0.000 2.093 295 R HA 0.037 4.377 4.340 0.000 0.000 0.224 295 R C 2.128 178.471 176.300 0.072 0.000 1.101 295 R CA 1.076 57.188 56.100 0.021 0.000 0.979 295 R CB -0.103 30.195 30.300 -0.004 0.000 0.877 295 R HN 0.195 nan 8.270 nan 0.000 0.441 296 A N 1.550 124.401 122.820 0.052 0.000 1.877 296 A HA -0.191 4.129 4.320 0.000 0.000 0.216 296 A C 1.790 179.408 177.584 0.056 0.000 1.186 296 A CA 1.377 53.453 52.037 0.065 0.000 0.620 296 A CB -0.300 18.745 19.000 0.076 0.000 0.822 296 A HN 0.207 nan 8.150 nan 0.000 0.443 297 E N -0.241 119.983 120.200 0.040 0.000 2.045 297 E HA -0.294 4.056 4.350 0.000 0.000 0.212 297 E C 1.886 178.515 176.600 0.048 0.000 1.039 297 E CA 1.625 58.043 56.400 0.030 0.000 0.860 297 E CB -1.107 28.605 29.700 0.021 0.000 0.776 297 E HN 0.790 nan 8.360 nan 0.000 0.467 298 H N 0.910 119.975 119.070 -0.009 0.000 2.400 298 H HA -0.147 4.409 4.556 0.000 0.000 0.295 298 H C 2.229 177.560 175.328 0.005 0.000 1.118 298 H CA 1.485 57.531 56.048 -0.003 0.000 1.256 298 H CB -0.097 29.663 29.762 -0.003 0.000 1.365 298 H HN 0.085 nan 8.280 nan 0.000 0.502 299 L N -0.607 120.693 121.223 0.129 0.000 2.049 299 L HA -0.182 4.158 4.340 0.000 0.000 0.203 299 L C 3.044 179.925 176.870 0.019 0.000 1.074 299 L CA 1.292 56.183 54.840 0.084 0.000 0.749 299 L CB -0.577 41.535 42.059 0.089 0.000 0.907 299 L HN 0.380 nan 8.230 nan 0.000 0.439 300 C N -0.232 119.075 119.300 0.012 0.000 2.432 300 C HA -0.155 4.305 4.460 0.000 0.000 0.280 300 C C 2.511 177.487 174.990 -0.024 0.000 1.353 300 C CA 0.592 59.607 59.018 -0.005 0.000 1.766 300 C CB -1.282 26.458 27.740 0.000 0.000 1.924 300 C HN 0.620 nan 8.230 nan 0.000 0.509 301 Q N 0.302 120.074 119.800 -0.047 0.000 2.444 301 Q HA 0.030 4.370 4.340 0.000 0.000 0.206 301 Q C 1.550 177.485 176.000 -0.109 0.000 0.948 301 Q CA 0.873 56.632 55.803 -0.074 0.000 0.946 301 Q CB -0.213 28.472 28.738 -0.087 0.000 1.027 301 Q HN 0.691 nan 8.270 nan 0.000 0.513 302 Q N -0.190 119.548 119.800 -0.103 0.000 2.280 302 Q HA 0.268 4.608 4.340 0.000 0.000 0.244 302 Q C -0.526 175.451 176.000 -0.039 0.000 0.847 302 Q CA -0.009 55.736 55.803 -0.097 0.000 0.945 302 Q CB 1.057 29.716 28.738 -0.131 0.000 1.115 302 Q HN 0.283 nan 8.270 nan 0.000 0.513 303 L N 2.452 123.667 121.223 -0.013 0.000 2.490 303 L HA 0.395 4.735 4.340 0.000 0.000 0.256 303 L C -2.628 174.250 176.870 0.012 0.000 1.089 303 L CA -1.986 52.866 54.840 0.019 0.000 0.916 303 L CB 1.271 43.354 42.059 0.040 0.000 1.188 303 L HN -0.182 nan 8.230 nan 0.000 0.476 304 P HA 0.132 nan 4.420 nan 0.000 0.267 304 P C -0.659 176.649 177.300 0.014 0.000 1.201 304 P CA 0.188 63.295 63.100 0.013 0.000 0.775 304 P CB 0.674 32.386 31.700 0.021 0.000 0.854 305 I N -1.459 119.110 120.570 -0.002 0.000 2.860 305 I HA 0.251 4.421 4.170 0.000 0.000 0.297 305 I C -2.678 173.430 176.117 -0.014 0.000 1.625 305 I CA -2.488 58.802 61.300 -0.017 0.000 0.773 305 I CB -0.072 37.902 38.000 -0.043 0.000 1.973 305 I HN -0.010 nan 8.210 nan 0.000 0.588 306 P HA 0.177 nan 4.420 nan 0.000 0.241 306 P C 0.590 177.884 177.300 -0.011 0.000 1.093 306 P CA 1.078 64.175 63.100 -0.006 0.000 0.843 306 P CB -0.037 31.662 31.700 -0.002 0.000 0.760 307 G N 4.016 112.809 108.800 -0.010 0.000 2.554 307 G HA2 0.428 4.388 3.960 0.000 0.000 0.306 307 G HA3 0.428 4.388 3.960 0.000 0.000 0.306 307 G C -2.546 172.349 174.900 -0.008 0.000 1.320 307 G CA -0.752 44.341 45.100 -0.012 0.000 0.800 307 G HN 0.125 nan 8.290 nan 0.000 0.481 308 P HA 0.089 nan 4.420 nan 0.000 0.242 308 P C 1.401 178.701 177.300 0.000 0.000 1.197 308 P CA 0.250 63.348 63.100 -0.003 0.000 0.765 308 P CB 0.466 32.164 31.700 -0.003 0.000 0.936 309 V N 1.078 120.992 119.914 -0.001 0.000 2.488 309 V HA -0.174 3.946 4.120 0.000 0.000 0.246 309 V C 2.497 178.595 176.094 0.005 0.000 1.046 309 V CA 1.608 63.911 62.300 0.004 0.000 1.053 309 V CB -0.751 31.073 31.823 0.002 0.000 0.679 309 V HN 0.198 nan 8.190 nan 0.000 0.458 310 E N -0.016 120.184 120.200 0.001 0.000 2.085 310 E HA -0.296 4.054 4.350 0.000 0.000 0.194 310 E C 2.025 178.626 176.600 0.001 0.000 0.994 310 E CA 1.490 57.890 56.400 -0.000 0.000 0.801 310 E CB -0.133 29.565 29.700 -0.003 0.000 0.743 310 E HN 0.538 nan 8.360 nan 0.000 0.453 311 E N 1.084 121.285 120.200 0.002 0.000 1.998 311 E HA -0.155 4.195 4.350 0.000 0.000 0.196 311 E C 2.118 178.721 176.600 0.006 0.000 1.003 311 E CA 1.440 57.841 56.400 0.003 0.000 0.829 311 E CB -0.172 29.529 29.700 0.002 0.000 0.777 311 E HN 0.169 nan 8.360 nan 0.000 0.460 312 M N -0.064 119.541 119.600 0.009 0.000 2.103 312 M HA -0.274 4.206 4.480 0.000 0.000 0.255 312 M C 2.343 178.655 176.300 0.020 0.000 1.074 312 M CA 1.525 56.835 55.300 0.016 0.000 1.090 312 M CB -0.589 32.023 32.600 0.020 0.000 1.325 312 M HN 0.154 nan 8.290 nan 0.000 0.403 313 L N -0.270 120.964 121.223 0.018 0.000 1.989 313 L HA -0.211 4.129 4.340 0.000 0.000 0.211 313 L C 2.849 179.720 176.870 0.001 0.000 1.071 313 L CA 1.476 56.325 54.840 0.014 0.000 0.749 313 L CB -0.743 41.323 42.059 0.012 0.000 0.890 313 L HN 0.363 nan 8.230 nan 0.000 0.431 314 A N -1.083 121.737 122.820 -0.000 0.000 1.969 314 A HA -0.216 4.104 4.320 0.000 0.000 0.218 314 A C 2.267 179.850 177.584 -0.002 0.000 1.169 314 A CA 1.504 53.538 52.037 -0.004 0.000 0.635 314 A CB -0.412 18.586 19.000 -0.004 0.000 0.810 314 A HN 0.445 nan 8.150 nan 0.000 0.445 315 E N -0.072 120.129 120.200 0.002 0.000 2.046 315 E HA -0.106 4.244 4.350 0.000 0.000 0.190 315 E C 1.993 178.596 176.600 0.005 0.000 0.982 315 E CA 1.341 57.744 56.400 0.005 0.000 0.800 315 E CB -0.129 29.575 29.700 0.007 0.000 0.756 315 E HN 0.284 nan 8.360 nan 0.000 0.449 316 V N 1.705 121.623 119.914 0.007 0.000 2.407 316 V HA -0.246 3.874 4.120 0.000 0.000 0.248 316 V C 2.220 178.303 176.094 -0.018 0.000 1.055 316 V CA 2.095 64.398 62.300 0.005 0.000 1.049 316 V CB -0.635 31.203 31.823 0.026 0.000 0.662 316 V HN 0.354 nan 8.190 nan 0.000 0.455 317 N N -0.849 117.837 118.700 -0.024 0.000 2.331 317 N HA -0.073 4.667 4.740 0.000 0.000 0.180 317 N C 1.820 177.320 175.510 -0.016 0.000 1.019 317 N CA 0.876 53.905 53.050 -0.035 0.000 0.881 317 N CB -0.082 38.383 38.487 -0.037 0.000 0.972 317 N HN 0.479 nan 8.380 nan 0.000 0.435 318 A N 0.160 122.976 122.820 -0.006 0.000 1.898 318 A HA -0.130 4.190 4.320 0.000 0.000 0.216 318 A C 2.271 179.862 177.584 0.011 0.000 1.181 318 A CA 1.982 54.021 52.037 0.004 0.000 0.620 318 A CB -1.063 17.939 19.000 0.004 0.000 0.819 318 A HN 0.537 nan 8.150 nan 0.000 0.442 319 T N -2.302 112.257 114.554 0.009 0.000 2.942 319 T HA 0.049 4.399 4.350 0.000 0.000 0.265 319 T C 1.839 176.551 174.700 0.021 0.000 1.062 319 T CA 1.101 63.210 62.100 0.015 0.000 1.139 319 T CB -0.402 68.473 68.868 0.013 0.000 0.883 319 T HN 0.299 nan 8.240 nan 0.000 0.468 320 I N 2.524 123.101 120.570 0.010 0.000 2.614 320 I HA -0.159 4.011 4.170 0.000 0.000 0.258 320 I C 2.413 178.561 176.117 0.051 0.000 1.189 320 I CA 1.558 62.867 61.300 0.015 0.000 1.462 320 I CB -0.219 37.764 38.000 -0.028 0.000 1.092 320 I HN 0.499 nan 8.210 nan 0.000 0.442 321 T N -2.859 111.727 114.554 0.053 0.000 2.896 321 T HA -0.089 4.261 4.350 0.000 0.000 0.263 321 T C 1.600 176.368 174.700 0.113 0.000 1.050 321 T CA 0.755 62.913 62.100 0.097 0.000 1.140 321 T CB -0.325 68.586 68.868 0.071 0.000 0.877 321 T HN 0.259 nan 8.240 nan 0.000 0.457 322 D N 1.665 122.109 120.400 0.074 0.000 2.144 322 D HA -0.050 4.590 4.640 0.000 0.000 0.199 322 D C 2.101 178.438 176.300 0.061 0.000 0.984 322 D CA 1.267 55.306 54.000 0.064 0.000 0.834 322 D CB -0.193 40.631 40.800 0.041 0.000 0.955 322 D HN 0.574 nan 8.370 nan 0.000 0.465 323 I N -1.006 119.600 120.570 0.059 0.000 2.546 323 I HA -0.121 4.049 4.170 0.000 0.000 0.255 323 I C 2.076 178.233 176.117 0.067 0.000 1.163 323 I CA 0.999 62.331 61.300 0.054 0.000 1.457 323 I CB -0.159 37.869 38.000 0.046 0.000 1.092 323 I HN -0.129 nan 8.210 nan 0.000 0.434 324 I N 0.764 121.397 120.570 0.104 0.000 2.233 324 I HA -0.205 3.965 4.170 0.000 0.000 0.243 324 I C 2.518 178.617 176.117 -0.030 0.000 1.093 324 I CA 1.444 62.809 61.300 0.108 0.000 1.380 324 I CB -0.463 37.691 38.000 0.257 0.000 1.067 324 I HN 0.269 nan 8.210 nan 0.000 0.413 325 S N 1.351 117.071 115.700 0.034 0.000 2.370 325 S HA -0.209 4.261 4.470 0.000 0.000 0.226 325 S C 2.259 176.800 174.600 -0.098 0.000 1.033 325 S CA 1.190 59.346 58.200 -0.072 0.000 1.011 325 S CB -0.611 62.677 63.200 0.146 0.000 0.852 325 S HN 0.526 nan 8.310 nan 0.000 0.457 326 A N 2.366 125.174 122.820 -0.020 0.000 1.852 326 A HA -0.161 4.159 4.320 0.000 0.000 0.217 326 A C 2.144 179.710 177.584 -0.030 0.000 1.215 326 A CA 1.804 53.834 52.037 -0.011 0.000 0.641 326 A CB -1.214 17.793 19.000 0.011 0.000 0.838 326 A HN 0.434 nan 8.150 nan 0.000 0.450 327 L N -0.557 120.651 121.223 -0.025 0.000 1.956 327 L HA -0.229 4.111 4.340 0.000 0.000 0.216 327 L C 2.633 179.471 176.870 -0.052 0.000 1.073 327 L CA 2.199 57.032 54.840 -0.012 0.000 0.762 327 L CB -0.497 41.576 42.059 0.023 0.000 0.889 327 L HN 0.335 nan 8.230 nan 0.000 0.433 328 V N -0.149 119.663 119.914 -0.169 0.000 2.219 328 V HA -0.372 3.748 4.120 0.000 0.000 0.248 328 V C 2.563 178.592 176.094 -0.110 0.000 1.053 328 V CA 2.604 64.774 62.300 -0.217 0.000 1.009 328 V CB -1.248 30.176 31.823 -0.666 0.000 0.636 328 V HN 0.620 nan 8.190 nan 0.000 0.445 329 T N 0.777 115.229 114.554 -0.169 0.000 2.652 329 T HA -0.204 4.146 4.350 0.000 0.000 0.267 329 T C 1.806 176.547 174.700 0.068 0.000 1.039 329 T CA 1.935 64.013 62.100 -0.036 0.000 1.153 329 T CB -0.671 68.176 68.868 -0.035 0.000 0.863 329 T HN 0.635 nan 8.240 nan 0.000 0.428 330 S N 1.660 117.383 115.700 0.038 0.000 2.603 330 S HA -0.021 4.449 4.470 0.000 0.000 0.229 330 S C 1.791 176.434 174.600 0.071 0.000 0.972 330 S CA 0.879 59.116 58.200 0.061 0.000 0.935 330 S CB -0.797 62.428 63.200 0.042 0.000 0.769 330 S HN 0.788 nan 8.310 nan 0.000 0.536 331 T N -1.932 112.672 114.554 0.083 0.000 3.092 331 T HA 0.328 4.678 4.350 0.000 0.000 0.258 331 T C -0.065 174.709 174.700 0.124 0.000 1.031 331 T CA -0.586 61.556 62.100 0.070 0.000 0.925 331 T CB -0.543 68.356 68.868 0.052 0.000 1.036 331 T HN 0.273 nan 8.240 nan 0.000 0.544 332 F N 4.481 124.443 119.950 0.021 0.000 2.462 332 F HA 0.551 5.079 4.527 0.000 0.000 0.354 332 F C -0.168 175.645 175.800 0.022 0.000 1.192 332 F CA -2.512 55.514 58.000 0.042 0.000 1.173 332 F CB -0.063 38.992 39.000 0.092 0.000 1.402 332 F HN 0.282 nan 8.300 nan 0.000 0.595 333 I N 4.174 124.551 120.570 -0.322 0.000 2.785 333 I HA 0.510 4.680 4.170 0.000 0.000 0.302 333 I C -0.905 175.000 176.117 -0.354 0.000 1.069 333 I CA -1.138 60.009 61.300 -0.255 0.000 1.045 333 I CB 2.317 40.263 38.000 -0.090 0.000 1.236 333 I HN 0.201 nan 8.210 nan 0.000 0.429 334 I N 4.079 124.485 120.570 -0.274 0.000 2.421 334 I HA 0.080 4.250 4.170 0.000 0.000 0.291 334 I C 1.233 177.301 176.117 -0.081 0.000 1.089 334 I CA 0.225 61.339 61.300 -0.310 0.000 1.354 334 I CB 0.932 38.727 38.000 -0.342 0.000 1.413 334 I HN 0.858 nan 8.210 nan 0.000 0.513 335 E N 6.661 126.800 120.200 -0.102 0.000 2.001 335 E HA -0.104 4.246 4.350 0.000 0.000 0.193 335 E C 0.934 177.557 176.600 0.039 0.000 0.994 335 E CA 0.886 57.318 56.400 0.055 0.000 0.815 335 E CB 0.298 29.971 29.700 -0.046 0.000 0.770 335 E HN 0.448 nan 8.360 nan 0.000 0.453 336 K N 1.333 121.701 120.400 -0.054 0.000 2.253 336 K HA 0.070 4.390 4.320 0.000 0.000 0.277 336 K C -0.863 175.698 176.600 -0.065 0.000 1.053 336 K CA -0.352 55.912 56.287 -0.037 0.000 0.892 336 K CB 1.313 33.806 32.500 -0.011 0.000 1.102 336 K HN 0.013 nan 8.250 nan 0.000 0.469 337 Q N 4.966 124.739 119.800 -0.045 0.000 2.327 337 Q HA 0.228 4.568 4.340 0.000 0.000 0.254 337 Q C -2.243 173.774 176.000 0.027 0.000 0.952 337 Q CA -1.572 54.210 55.803 -0.036 0.000 0.884 337 Q CB 0.905 29.619 28.738 -0.040 0.000 1.224 337 Q HN 0.385 nan 8.270 nan 0.000 0.422 338 P HA 0.076 nan 4.420 nan 0.000 0.268 338 P C -2.486 174.843 177.300 0.047 0.000 1.205 338 P CA -1.059 62.134 63.100 0.155 0.000 0.771 338 P CB -0.346 31.478 31.700 0.206 0.000 0.858 339 P HA -0.074 nan 4.420 nan 0.000 0.255 339 P C 0.985 178.233 177.300 -0.087 0.000 1.151 339 P CA 0.675 63.755 63.100 -0.033 0.000 0.767 339 P CB 0.133 31.800 31.700 -0.056 0.000 0.736 340 Q N 2.829 122.594 119.800 -0.058 0.000 2.224 340 Q HA -0.024 4.316 4.340 0.000 0.000 0.203 340 Q C 0.559 176.511 176.000 -0.080 0.000 0.970 340 Q CA 0.882 56.646 55.803 -0.064 0.000 0.865 340 Q CB 0.197 28.908 28.738 -0.045 0.000 0.922 340 Q HN 0.329 nan 8.270 nan 0.000 0.445 341 V N 1.356 121.221 119.914 -0.081 0.000 2.340 341 V HA 0.395 4.515 4.120 0.000 0.000 0.277 341 V C -1.737 174.282 176.094 -0.126 0.000 1.017 341 V CA -0.940 61.306 62.300 -0.090 0.000 0.820 341 V CB 0.653 32.445 31.823 -0.052 0.000 1.028 341 V HN 0.163 nan 8.190 nan 0.000 0.436 342 L N 5.153 126.267 121.223 -0.181 0.000 2.342 342 L HA 0.750 5.090 4.340 0.000 0.000 0.271 342 L C -0.139 176.617 176.870 -0.190 0.000 1.008 342 L CA -0.945 53.765 54.840 -0.217 0.000 0.818 342 L CB 1.492 43.315 42.059 -0.394 0.000 1.296 342 L HN 0.592 nan 8.230 nan 0.000 0.427 343 K N -0.507 119.809 120.400 -0.140 0.000 2.138 343 K HA 0.424 4.744 4.320 0.000 0.000 0.263 343 K C 0.001 176.555 176.600 -0.077 0.000 0.965 343 K CA -0.551 55.673 56.287 -0.106 0.000 0.868 343 K CB 1.393 33.850 32.500 -0.071 0.000 1.083 343 K HN 0.671 nan 8.250 nan 0.000 0.443 344 T N 2.097 116.610 114.554 -0.068 0.000 2.872 344 T HA -0.152 4.198 4.350 0.000 0.000 0.292 344 T C -0.194 174.507 174.700 0.001 0.000 1.036 344 T CA 0.923 63.000 62.100 -0.039 0.000 1.136 344 T CB -0.364 68.487 68.868 -0.028 0.000 1.052 344 T HN 0.669 nan 8.240 nan 0.000 0.512 345 Q N 1.958 121.775 119.800 0.029 0.000 2.448 345 Q HA -0.134 4.206 4.340 0.000 0.000 0.356 345 Q C -0.458 175.581 176.000 0.066 0.000 1.430 345 Q CA 1.136 56.972 55.803 0.054 0.000 1.011 345 Q CB -1.728 27.031 28.738 0.035 0.000 1.203 345 Q HN 0.763 nan 8.270 nan 0.000 0.351 346 T N 0.302 114.926 114.554 0.116 0.000 2.928 346 T HA 0.317 4.667 4.350 0.000 0.000 0.296 346 T C -0.355 174.495 174.700 0.249 0.000 1.000 346 T CA -1.019 61.158 62.100 0.130 0.000 0.989 346 T CB 1.634 70.551 68.868 0.082 0.000 1.005 346 T HN 0.254 nan 8.240 nan 0.000 0.442 347 K N 3.758 124.256 120.400 0.163 0.000 2.419 347 K HA 0.297 4.617 4.320 0.000 0.000 0.282 347 K C -0.740 175.995 176.600 0.225 0.000 1.056 347 K CA 0.048 56.415 56.287 0.134 0.000 1.035 347 K CB 0.009 32.543 32.500 0.057 0.000 0.921 347 K HN 0.623 nan 8.250 nan 0.000 0.472 348 F N 1.286 121.266 119.950 0.049 0.000 2.650 348 F HA 0.792 5.318 4.527 -0.000 0.000 0.320 348 F C -1.159 174.699 175.800 0.096 0.000 1.091 348 F CA -1.186 56.849 58.000 0.057 0.000 0.962 348 F CB 1.217 40.244 39.000 0.044 0.000 1.363 348 F HN 0.358 nan 8.300 nan 0.000 0.482 349 A N 0.909 123.835 122.820 0.176 0.000 2.479 349 A HA 1.008 5.328 4.320 0.000 0.000 0.296 349 A C -1.444 176.261 177.584 0.202 0.000 1.121 349 A CA -0.442 51.663 52.037 0.113 0.000 0.743 349 A CB 1.344 20.414 19.000 0.117 0.000 1.323 349 A HN 1.904 nan 8.150 nan 0.000 0.415 350 A N -0.180 122.749 122.820 0.181 0.000 2.587 350 A HA 0.869 5.189 4.320 0.000 0.000 0.293 350 A C -0.698 176.898 177.584 0.021 0.000 1.087 350 A CA -0.458 51.615 52.037 0.061 0.000 0.692 350 A CB 1.459 20.461 19.000 0.003 0.000 1.291 350 A HN 1.046 nan 8.150 nan 0.000 0.407 351 T N 0.981 115.448 114.554 -0.145 0.000 2.890 351 T HA 0.544 4.894 4.350 0.000 0.000 0.295 351 T C -1.028 173.474 174.700 -0.330 0.000 0.993 351 T CA -0.369 61.590 62.100 -0.236 0.000 0.979 351 T CB 1.101 69.768 68.868 -0.335 0.000 0.967 351 T HN 1.492 nan 8.240 nan 0.000 0.441 352 V N 4.832 124.552 119.914 -0.324 0.000 2.628 352 V HA 0.930 5.050 4.120 0.000 0.000 0.306 352 V C -0.620 175.306 176.094 -0.280 0.000 1.045 352 V CA -0.848 61.190 62.300 -0.437 0.000 0.905 352 V CB 1.600 32.988 31.823 -0.726 0.000 0.997 352 V HN 0.988 nan 8.190 nan 0.000 0.436 353 R N 4.722 125.042 120.500 -0.299 0.000 2.888 353 R HA 0.851 5.191 4.340 0.000 0.000 0.264 353 R C -1.924 174.308 176.300 -0.114 0.000 1.045 353 R CA -0.953 55.057 56.100 -0.150 0.000 0.962 353 R CB 1.918 32.144 30.300 -0.122 0.000 1.210 353 R HN 0.720 nan 8.270 nan 0.000 0.479 354 L N 2.403 123.645 121.223 0.030 0.000 2.372 354 L HA 0.376 4.716 4.340 0.000 0.000 0.274 354 L C -0.459 176.432 176.870 0.036 0.000 0.988 354 L CA -0.504 54.411 54.840 0.124 0.000 0.833 354 L CB 1.903 44.115 42.059 0.254 0.000 1.236 354 L HN 0.898 nan 8.230 nan 0.000 0.410 355 L N 4.240 125.467 121.223 0.008 0.000 2.156 355 L HA -0.059 4.281 4.340 0.000 0.000 0.208 355 L C 2.016 178.881 176.870 -0.009 0.000 1.095 355 L CA 1.266 56.088 54.840 -0.030 0.000 0.770 355 L CB -0.447 41.580 42.059 -0.053 0.000 0.914 355 L HN 0.759 nan 8.230 nan 0.000 0.439 356 V N -3.199 116.725 119.914 0.016 0.000 2.871 356 V HA 0.072 4.192 4.120 0.000 0.000 0.256 356 V C 2.408 178.491 176.094 -0.017 0.000 1.082 356 V CA 1.186 63.490 62.300 0.007 0.000 1.105 356 V CB -1.618 30.218 31.823 0.022 0.000 0.713 356 V HN 0.357 nan 8.190 nan 0.000 0.473 357 G N 1.326 110.118 108.800 -0.013 0.000 2.596 357 G HA2 -0.254 3.706 3.960 0.000 0.000 0.223 357 G HA3 -0.254 3.706 3.960 0.000 0.000 0.223 357 G C 1.447 176.322 174.900 -0.042 0.000 1.120 357 G CA 1.345 46.425 45.100 -0.034 0.000 0.752 357 G HN 0.771 nan 8.290 nan 0.000 0.596 358 G N 0.771 109.554 108.800 -0.029 0.000 2.639 358 G HA2 -0.173 3.787 3.960 0.000 0.000 0.216 358 G HA3 -0.173 3.787 3.960 0.000 0.000 0.216 358 G C 1.674 176.458 174.900 -0.192 0.000 1.267 358 G CA 1.550 46.615 45.100 -0.058 0.000 0.801 358 G HN 0.439 nan 8.290 nan 0.000 0.592 359 K N 0.342 120.678 120.400 -0.106 0.000 1.997 359 K HA 0.122 4.442 4.320 0.000 0.000 0.219 359 K C 1.093 177.616 176.600 -0.127 0.000 1.023 359 K CA 0.115 56.342 56.287 -0.100 0.000 1.003 359 K CB -1.292 31.175 32.500 -0.055 0.000 0.842 359 K HN 0.335 nan 8.250 nan 0.000 0.445 360 L N 2.239 123.355 121.223 -0.179 0.000 2.615 360 L HA 0.048 4.388 4.340 0.000 0.000 0.284 360 L C -0.374 176.381 176.870 -0.191 0.000 1.237 360 L CA -0.265 54.365 54.840 -0.350 0.000 0.905 360 L CB -0.644 41.135 42.059 -0.467 0.000 1.149 360 L HN 0.302 nan 8.230 nan 0.000 0.499 361 N N 3.011 121.597 118.700 -0.190 0.000 2.602 361 N HA 0.238 4.978 4.740 0.000 0.000 0.238 361 N C 0.261 175.712 175.510 -0.098 0.000 1.084 361 N CA -0.663 52.386 53.050 -0.001 0.000 0.952 361 N CB 1.313 39.749 38.487 -0.086 0.000 1.244 361 N HN 0.554 nan 8.380 nan 0.000 0.512 362 V N 0.947 120.874 119.914 0.022 0.000 3.212 362 V HA -0.046 4.074 4.120 0.000 0.000 0.244 362 V C 1.845 177.832 176.094 -0.180 0.000 1.151 362 V CA 0.906 63.098 62.300 -0.180 0.000 1.119 362 V CB -1.258 30.314 31.823 -0.419 0.000 0.838 362 V HN 0.756 nan 8.190 nan 0.000 0.470 363 H N -0.187 118.732 119.070 -0.253 0.000 2.472 363 H HA -0.222 4.334 4.556 -0.000 0.000 0.296 363 H C 2.109 177.297 175.328 -0.233 0.000 1.120 363 H CA 1.897 57.780 56.048 -0.275 0.000 1.250 363 H CB -0.527 28.864 29.762 -0.618 0.000 1.366 363 H HN 0.229 nan 8.280 nan 0.000 0.524 364 M N 1.344 120.534 119.600 -0.683 0.000 2.149 364 M HA -0.093 4.387 4.480 0.000 0.000 0.261 364 M C -0.010 176.139 176.300 -0.252 0.000 1.064 364 M CA 1.327 56.316 55.300 -0.517 0.000 1.102 364 M CB -0.876 31.432 32.600 -0.486 0.000 1.369 364 M HN 0.628 nan 8.290 nan 0.000 0.408 365 N N -0.387 118.201 118.700 -0.186 0.000 2.607 365 N HA 0.325 5.065 4.740 0.000 0.000 0.271 365 N C -2.868 172.594 175.510 -0.081 0.000 1.142 365 N CA -1.378 51.608 53.050 -0.106 0.000 0.810 365 N CB 0.574 39.019 38.487 -0.070 0.000 1.306 365 N HN -0.112 nan 8.380 nan 0.000 0.536 366 P HA 0.066 nan 4.420 nan 0.000 0.258 366 P C -2.288 175.003 177.300 -0.014 0.000 1.172 366 P CA -0.277 62.798 63.100 -0.042 0.000 0.762 366 P CB 0.122 31.815 31.700 -0.013 0.000 0.764 367 P HA 0.170 nan 4.420 nan 0.000 0.276 367 P C -0.476 176.880 177.300 0.094 0.000 1.252 367 P CA -0.382 62.757 63.100 0.066 0.000 0.802 367 P CB 0.839 32.612 31.700 0.123 0.000 1.035 368 Q N 0.556 120.423 119.800 0.111 0.000 2.267 368 Q HA 0.370 4.710 4.340 0.000 0.000 0.255 368 Q C -1.146 174.974 176.000 0.201 0.000 0.923 368 Q CA -0.646 55.231 55.803 0.122 0.000 0.925 368 Q CB 0.754 29.543 28.738 0.085 0.000 1.195 368 Q HN 0.177 nan 8.270 nan 0.000 0.417 369 V N 4.617 124.704 119.914 0.288 0.000 2.394 369 V HA 0.336 4.456 4.120 0.000 0.000 0.282 369 V C -0.325 176.064 176.094 0.492 0.000 1.031 369 V CA -0.568 62.009 62.300 0.461 0.000 0.881 369 V CB 1.370 33.615 31.823 0.704 0.000 0.982 369 V HN 0.713 nan 8.190 nan 0.000 0.451 370 K N 3.886 124.507 120.400 0.369 0.000 2.307 370 K HA 0.751 5.071 4.320 0.000 0.000 0.263 370 K C -0.236 176.436 176.600 0.120 0.000 0.973 370 K CA -0.382 56.059 56.287 0.257 0.000 0.846 370 K CB 1.421 34.007 32.500 0.144 0.000 1.100 370 K HN 0.827 nan 8.250 nan 0.000 0.438 371 A N 2.740 125.594 122.820 0.057 0.000 2.327 371 A HA 0.493 4.813 4.320 0.000 0.000 0.283 371 A C -0.453 177.010 177.584 -0.200 0.000 1.127 371 A CA -0.261 51.525 52.037 -0.419 0.000 0.810 371 A CB 1.075 19.782 19.000 -0.488 0.000 1.066 371 A HN 0.714 nan 8.150 nan 0.000 0.492 372 T N 1.969 116.375 114.554 -0.248 0.000 3.395 372 T HA 0.410 4.760 4.350 0.000 0.000 0.330 372 T C -0.938 173.724 174.700 -0.063 0.000 1.076 372 T CA -0.376 61.670 62.100 -0.089 0.000 1.070 372 T CB 0.254 69.105 68.868 -0.028 0.000 1.119 372 T HN 0.869 nan 8.240 nan 0.000 0.462 373 I N 5.553 126.114 120.570 -0.016 0.000 2.395 373 I HA 0.716 4.886 4.170 0.000 0.000 0.289 373 I C -1.021 175.147 176.117 0.086 0.000 1.023 373 I CA -0.580 60.736 61.300 0.025 0.000 1.350 373 I CB 0.428 38.422 38.000 -0.009 0.000 1.409 373 I HN 0.743 nan 8.210 nan 0.000 0.507 374 I N 6.202 126.865 120.570 0.154 0.000 2.769 374 I HA 0.317 4.487 4.170 0.000 0.000 0.298 374 I C -0.096 176.174 176.117 0.255 0.000 1.128 374 I CA -0.167 61.239 61.300 0.177 0.000 1.031 374 I CB 2.379 40.456 38.000 0.128 0.000 1.235 374 I HN 0.709 nan 8.210 nan 0.000 0.423 375 S N 3.823 119.643 115.700 0.200 0.000 2.624 375 S HA 0.204 4.674 4.470 0.000 0.000 0.263 375 S C 1.076 175.721 174.600 0.076 0.000 1.287 375 S CA 0.145 58.383 58.200 0.064 0.000 0.990 375 S CB 1.057 64.254 63.200 -0.005 0.000 0.950 375 S HN 0.799 nan 8.310 nan 0.000 0.561 376 E N 0.190 120.383 120.200 -0.011 0.000 2.038 376 E HA -0.260 4.090 4.350 0.000 0.000 0.195 376 E C 1.951 178.619 176.600 0.113 0.000 1.000 376 E CA 1.197 57.732 56.400 0.224 0.000 0.803 376 E CB -0.302 29.490 29.700 0.154 0.000 0.750 376 E HN 0.687 nan 8.360 nan 0.000 0.448 377 Q N 0.534 120.346 119.800 0.020 0.000 2.133 377 Q HA -0.254 4.086 4.340 0.000 0.000 0.208 377 Q C 2.057 178.070 176.000 0.021 0.000 0.991 377 Q CA 2.079 57.888 55.803 0.009 0.000 0.867 377 Q CB -0.185 28.548 28.738 -0.009 0.000 0.911 377 Q HN 0.506 nan 8.270 nan 0.000 0.417 378 Q N -1.199 118.624 119.800 0.039 0.000 2.187 378 Q HA 0.020 4.360 4.340 0.000 0.000 0.199 378 Q C 1.958 177.982 176.000 0.040 0.000 0.957 378 Q CA 0.972 56.801 55.803 0.044 0.000 0.857 378 Q CB -0.062 28.713 28.738 0.063 0.000 0.929 378 Q HN 0.406 nan 8.270 nan 0.000 0.453 379 A N 1.417 124.271 122.820 0.055 0.000 1.972 379 A HA -0.223 4.097 4.320 0.000 0.000 0.219 379 A C 1.863 179.417 177.584 -0.051 0.000 1.169 379 A CA 1.407 53.452 52.037 0.013 0.000 0.635 379 A CB -0.239 18.767 19.000 0.010 0.000 0.810 379 A HN 0.163 nan 8.150 nan 0.000 0.446 380 K N 0.179 120.549 120.400 -0.050 0.000 2.026 380 K HA -0.143 4.177 4.320 0.000 0.000 0.208 380 K C 2.501 179.084 176.600 -0.028 0.000 1.048 380 K CA 1.712 57.966 56.287 -0.055 0.000 0.929 380 K CB -0.211 32.266 32.500 -0.039 0.000 0.713 380 K HN 0.670 nan 8.250 nan 0.000 0.439 381 S N 1.410 117.105 115.700 -0.009 0.000 2.383 381 S HA -0.097 4.373 4.470 0.000 0.000 0.227 381 S C 1.954 176.556 174.600 0.003 0.000 1.026 381 S CA 0.624 58.824 58.200 -0.000 0.000 0.981 381 S CB -0.361 62.845 63.200 0.009 0.000 0.818 381 S HN 0.222 nan 8.310 nan 0.000 0.472 382 L N 1.099 122.326 121.223 0.007 0.000 2.083 382 L HA 0.037 4.377 4.340 0.000 0.000 0.209 382 L C 2.271 179.145 176.870 0.005 0.000 1.083 382 L CA 1.552 56.400 54.840 0.013 0.000 0.752 382 L CB -0.962 41.112 42.059 0.026 0.000 0.899 382 L HN 0.414 nan 8.230 nan 0.000 0.433 383 L N 0.588 121.805 121.223 -0.010 0.000 1.973 383 L HA -0.159 4.181 4.340 0.000 0.000 0.208 383 L C 1.381 178.246 176.870 -0.008 0.000 1.073 383 L CA 1.171 56.002 54.840 -0.015 0.000 0.746 383 L CB -0.639 41.397 42.059 -0.038 0.000 0.891 383 L HN 0.314 nan 8.230 nan 0.000 0.433 384 K N 2.149 122.542 120.400 -0.011 0.000 2.081 384 K HA 0.047 4.367 4.320 0.000 0.000 0.230 384 K C -0.468 176.132 176.600 -0.001 0.000 1.199 384 K CA -0.048 56.236 56.287 -0.006 0.000 1.130 384 K CB -1.222 31.273 32.500 -0.009 0.000 1.386 384 K HN 0.425 nan 8.250 nan 0.000 0.280 385 N N 3.723 122.425 118.700 0.003 0.000 2.195 385 N HA -0.170 4.570 4.740 0.000 0.000 0.280 385 N C -0.417 175.097 175.510 0.006 0.000 1.236 385 N CA 0.193 53.247 53.050 0.006 0.000 1.151 385 N CB -0.040 38.453 38.487 0.009 0.000 1.466 385 N HN 0.647 nan 8.380 nan 0.000 0.485 386 E N 2.201 122.404 120.200 0.006 0.000 3.108 386 E HA 0.173 4.523 4.350 0.000 0.000 0.228 386 E C -1.117 175.488 176.600 0.009 0.000 1.176 386 E CA -0.562 55.842 56.400 0.006 0.000 0.881 386 E CB -0.016 29.687 29.700 0.005 0.000 1.354 386 E HN 0.341 nan 8.360 nan 0.000 0.400 387 N N 0.577 119.284 118.700 0.012 0.000 2.495 387 N HA 0.320 5.060 4.740 0.000 0.000 0.294 387 N C -0.295 175.223 175.510 0.015 0.000 1.276 387 N CA -0.213 52.846 53.050 0.015 0.000 0.973 387 N CB 1.128 39.626 38.487 0.018 0.000 1.143 387 N HN 0.342 nan 8.380 nan 0.000 0.589 388 T N -0.802 113.763 114.554 0.017 0.000 3.401 388 T HA 0.217 4.567 4.350 0.000 0.000 0.341 388 T C 0.244 174.955 174.700 0.019 0.000 1.674 388 T CA -0.696 61.414 62.100 0.016 0.000 1.600 388 T CB 0.231 69.109 68.868 0.016 0.000 0.974 388 T HN 0.243 nan 8.240 nan 0.000 0.672 389 R N 2.997 123.508 120.500 0.018 0.000 4.375 389 R HA -0.075 4.265 4.340 0.000 0.000 0.207 389 R C 0.480 176.793 176.300 0.023 0.000 0.768 389 R CA 0.538 56.651 56.100 0.021 0.000 0.936 389 R CB -1.303 29.008 30.300 0.018 0.000 0.967 389 R HN 0.879 nan 8.270 nan 0.000 0.358 390 N N 0.309 119.024 118.700 0.026 0.000 2.467 390 N HA -0.129 4.611 4.740 0.000 0.000 0.316 390 N C -0.998 174.529 175.510 0.029 0.000 0.649 390 N CA -0.017 53.048 53.050 0.026 0.000 0.731 390 N CB 0.095 38.595 38.487 0.022 0.000 2.323 390 N HN 0.339 nan 8.380 nan 0.000 1.339 391 E N 1.629 121.847 120.200 0.031 0.000 2.408 391 E HA 0.316 4.666 4.350 0.000 0.000 0.259 391 E C 0.151 176.778 176.600 0.045 0.000 1.110 391 E CA -0.168 56.254 56.400 0.036 0.000 0.929 391 E CB 0.269 29.990 29.700 0.035 0.000 0.971 391 E HN 0.385 nan 8.360 nan 0.000 0.438 392 C N -1.211 118.122 119.300 0.054 0.000 2.890 392 C HA 0.352 4.812 4.460 0.000 0.000 0.264 392 C C -0.135 174.909 174.990 0.091 0.000 0.934 392 C CA -1.120 57.939 59.018 0.069 0.000 1.016 392 C CB -1.040 26.732 27.740 0.053 0.000 1.704 392 C HN 0.535 nan 8.230 nan 0.000 0.671 393 S N 1.602 117.368 115.700 0.110 0.000 2.969 393 S HA 0.358 4.828 4.470 0.000 0.000 0.305 393 S C 1.407 176.150 174.600 0.239 0.000 0.893 393 S CA 1.584 59.876 58.200 0.154 0.000 1.994 393 S CB -0.660 62.628 63.200 0.148 0.000 1.372 393 S HN 1.431 nan 8.310 nan 0.000 0.669 394 G N 0.669 109.544 108.800 0.124 0.000 4.073 394 G HA2 0.120 4.080 3.960 0.000 0.000 0.183 394 G HA3 0.120 4.080 3.960 0.000 0.000 0.183 394 G C -0.382 174.504 174.900 -0.023 0.000 0.873 394 G CA -0.098 45.012 45.100 0.017 0.000 0.937 394 G HN 0.444 nan 8.290 nan 0.000 0.344 395 E N -0.286 119.923 120.200 0.015 0.000 9.220 395 E HA -0.202 4.148 4.350 0.000 0.000 0.468 395 E C 0.592 177.195 176.600 0.005 0.000 1.430 395 E CA 0.831 57.237 56.400 0.010 0.000 2.492 395 E CB -1.023 28.681 29.700 0.006 0.000 1.039 395 E HN 1.201 nan 8.360 nan 0.000 0.325 396 I N -1.064 119.513 120.570 0.011 0.000 3.205 396 I HA 0.230 4.400 4.170 0.000 0.000 0.287 396 I C 0.700 176.833 176.117 0.027 0.000 1.266 396 I CA -0.233 61.078 61.300 0.018 0.000 1.378 396 I CB -0.202 37.809 38.000 0.019 0.000 1.347 396 I HN 0.421 nan 8.210 nan 0.000 0.603 397 L N 1.240 122.487 121.223 0.040 0.000 2.543 397 L HA 0.506 4.846 4.340 0.000 0.000 0.265 397 L C -0.850 176.048 176.870 0.048 0.000 0.945 397 L CA -0.728 54.153 54.840 0.068 0.000 0.869 397 L CB 1.540 43.671 42.059 0.121 0.000 1.294 397 L HN 0.425 nan 8.230 nan 0.000 0.405 398 N N 3.433 122.153 118.700 0.033 0.000 3.059 398 N HA 0.170 4.910 4.740 0.000 0.000 0.321 398 N C -0.886 174.621 175.510 -0.005 0.000 1.224 398 N CA 0.349 53.405 53.050 0.010 0.000 1.197 398 N CB -0.835 37.655 38.487 0.004 0.000 1.453 398 N HN 0.825 nan 8.380 nan 0.000 0.544 399 N N -0.289 118.423 118.700 0.021 0.000 3.217 399 N HA 0.153 4.893 4.740 0.000 0.000 0.236 399 N C -2.007 173.561 175.510 0.097 0.000 1.136 399 N CA -0.485 52.578 53.050 0.023 0.000 0.997 399 N CB 1.031 39.534 38.487 0.027 0.000 1.658 399 N HN 0.088 nan 8.380 nan 0.000 0.527 400 C N 2.496 121.791 119.300 -0.008 0.000 3.130 400 C HA 0.306 4.766 4.460 0.000 0.000 0.386 400 C C 0.230 175.148 174.990 -0.121 0.000 1.064 400 C CA -1.433 57.613 59.018 0.046 0.000 1.298 400 C CB -1.705 26.095 27.740 0.101 0.000 1.675 400 C HN 0.804 nan 8.230 nan 0.000 0.527 401 C N 0.889 119.959 119.300 -0.383 0.000 2.668 401 C HA 0.969 5.429 4.460 0.000 0.000 0.355 401 C C 0.069 174.970 174.990 -0.149 0.000 1.277 401 C CA -0.528 58.285 59.018 -0.341 0.000 1.787 401 C CB 0.469 27.866 27.740 -0.571 0.000 2.233 401 C HN 0.686 nan 8.230 nan 0.000 0.495 402 V N 2.778 122.637 119.914 -0.092 0.000 2.546 402 V HA 0.290 4.410 4.120 0.000 0.000 0.284 402 V C 0.711 176.812 176.094 0.013 0.000 1.050 402 V CA -0.216 62.075 62.300 -0.015 0.000 0.981 402 V CB 0.955 32.767 31.823 -0.019 0.000 0.990 402 V HN 0.920 nan 8.190 nan 0.000 0.474 403 M N 4.303 123.938 119.600 0.059 0.000 2.207 403 M HA 0.337 4.817 4.480 0.000 0.000 0.311 403 M C 0.160 176.482 176.300 0.038 0.000 1.127 403 M CA 0.384 55.732 55.300 0.079 0.000 1.181 403 M CB 0.428 33.084 32.600 0.093 0.000 1.409 403 M HN 0.888 nan 8.290 nan 0.000 0.461 404 E N 1.651 121.870 120.200 0.032 0.000 2.313 404 E HA 0.201 4.551 4.350 0.000 0.000 0.280 404 E C -1.961 174.594 176.600 -0.076 0.000 0.898 404 E CA -0.742 55.641 56.400 -0.029 0.000 0.803 404 E CB 1.007 30.649 29.700 -0.096 0.000 1.286 404 E HN 0.643 nan 8.360 nan 0.000 0.401 405 Y N 2.876 123.093 120.300 -0.140 0.000 2.436 405 Y HA 0.176 4.727 4.550 0.000 0.000 0.336 405 Y C -0.654 175.135 175.900 -0.185 0.000 1.049 405 Y CA 0.026 58.055 58.100 -0.119 0.000 1.294 405 Y CB 0.596 39.041 38.460 -0.026 0.000 1.179 405 Y HN 0.578 nan 8.280 nan 0.000 0.520 406 H N 4.966 123.776 119.070 -0.434 0.000 2.908 406 H HA 0.190 4.746 4.556 0.000 0.000 0.269 406 H C -0.462 174.445 175.328 -0.702 0.000 1.303 406 H CA -0.896 54.917 56.048 -0.391 0.000 1.341 406 H CB 0.176 29.794 29.762 -0.241 0.000 1.519 406 H HN 0.625 nan 8.280 nan 0.000 0.505 407 Q N 1.644 121.178 119.800 -0.444 0.000 2.326 407 Q HA 0.183 4.523 4.340 0.000 0.000 0.314 407 Q C 0.713 176.639 176.000 -0.123 0.000 1.091 407 Q CA 0.503 56.203 55.803 -0.172 0.000 0.974 407 Q CB 0.268 29.122 28.738 0.194 0.000 1.220 407 Q HN 0.781 nan 8.270 nan 0.000 0.398 408 A N 1.442 124.213 122.820 -0.082 0.000 2.800 408 A HA -0.208 4.112 4.320 0.000 0.000 0.292 408 A C 0.599 178.117 177.584 -0.110 0.000 1.474 408 A CA 1.185 53.181 52.037 -0.068 0.000 0.744 408 A CB -2.281 16.698 19.000 -0.035 0.000 1.044 408 A HN 0.850 nan 8.150 nan 0.000 0.489 409 T N -3.191 111.266 114.554 -0.162 0.000 3.285 409 T HA 0.412 4.762 4.350 0.000 0.000 0.263 409 T C 2.227 176.820 174.700 -0.177 0.000 0.836 409 T CA 1.160 63.168 62.100 -0.154 0.000 0.849 409 T CB -0.072 68.702 68.868 -0.155 0.000 1.252 409 T HN 2.283 nan 8.240 nan 0.000 0.617 410 G N 2.743 111.372 108.800 -0.286 0.000 2.168 410 G HA2 -0.285 3.675 3.960 0.000 0.000 0.263 410 G HA3 -0.285 3.675 3.960 0.000 0.000 0.263 410 G C 0.282 175.049 174.900 -0.222 0.000 0.977 410 G CA 0.646 45.594 45.100 -0.252 0.000 0.659 410 G HN 1.110 nan 8.290 nan 0.000 0.533 411 T N -1.009 113.406 114.554 -0.232 0.000 2.727 411 T HA 0.558 4.908 4.350 0.000 0.000 0.295 411 T C 0.584 175.245 174.700 -0.064 0.000 0.915 411 T CA -0.564 61.478 62.100 -0.097 0.000 1.066 411 T CB 1.627 70.478 68.868 -0.028 0.000 0.891 411 T HN 0.510 nan 8.240 nan 0.000 0.516 412 L N 4.044 125.274 121.223 0.013 0.000 2.395 412 L HA 0.241 4.581 4.340 0.000 0.000 0.268 412 L C 0.480 177.380 176.870 0.051 0.000 1.223 412 L CA -0.311 54.572 54.840 0.072 0.000 1.093 412 L CB -0.209 41.912 42.059 0.104 0.000 1.349 412 L HN 0.772 nan 8.230 nan 0.000 0.427 413 S N 2.220 117.958 115.700 0.064 0.000 2.641 413 S HA 0.714 5.184 4.470 0.000 0.000 0.261 413 S C 0.031 174.692 174.600 0.102 0.000 1.257 413 S CA -0.334 57.907 58.200 0.069 0.000 0.983 413 S CB 1.530 64.891 63.200 0.269 0.000 0.990 413 S HN 0.664 nan 8.310 nan 0.000 0.572 414 A N 1.704 124.569 122.820 0.075 0.000 2.604 414 A HA 0.518 4.838 4.320 0.000 0.000 0.285 414 A C -1.639 176.078 177.584 0.221 0.000 1.095 414 A CA -0.699 51.462 52.037 0.207 0.000 0.842 414 A CB 0.130 19.305 19.000 0.292 0.000 1.385 414 A HN 0.791 nan 8.150 nan 0.000 0.404 415 H N 0.981 120.136 119.070 0.141 0.000 2.517 415 H HA 0.517 5.073 4.556 0.000 0.000 0.317 415 H C -0.993 174.437 175.328 0.170 0.000 1.080 415 H CA -0.659 55.497 56.048 0.180 0.000 1.301 415 H CB 0.493 30.313 29.762 0.096 0.000 1.425 415 H HN 0.477 nan 8.280 nan 0.000 0.471 416 F N 3.174 123.202 119.950 0.131 0.000 2.441 416 F HA 0.220 4.747 4.527 -0.000 0.000 0.337 416 F C 1.225 177.040 175.800 0.025 0.000 1.182 416 F CA -0.680 57.370 58.000 0.083 0.000 1.279 416 F CB 0.176 39.251 39.000 0.125 0.000 1.614 416 F HN 0.531 nan 8.300 nan 0.000 0.574 417 R N 0.282 120.863 120.500 0.135 0.000 2.319 417 R HA 0.115 4.455 4.340 0.000 0.000 0.204 417 R C -0.554 175.752 176.300 0.011 0.000 0.954 417 R CA 0.282 56.431 56.100 0.082 0.000 1.066 417 R CB -0.431 29.915 30.300 0.077 0.000 0.991 417 R HN 0.440 nan 8.270 nan 0.000 0.486 418 N N 0.777 119.456 118.700 -0.035 0.000 2.785 418 N HA 0.132 4.872 4.740 0.000 0.000 0.224 418 N C -0.843 174.564 175.510 -0.172 0.000 1.448 418 N CA -0.307 52.687 53.050 -0.092 0.000 0.748 418 N CB 0.367 38.827 38.487 -0.046 0.000 1.385 418 N HN -0.021 nan 8.380 nan 0.000 0.538 419 M N 0.389 119.740 119.600 -0.414 0.000 2.219 419 M HA 0.441 4.921 4.480 0.000 0.000 0.280 419 M C 0.179 176.250 176.300 -0.381 0.000 1.189 419 M CA -0.290 54.694 55.300 -0.526 0.000 1.010 419 M CB 1.131 33.152 32.600 -0.965 0.000 1.422 419 M HN 0.343 nan 8.290 nan 0.000 0.504 420 S N 0.501 116.172 115.700 -0.048 0.000 2.543 420 S HA 0.497 4.967 4.470 0.000 0.000 0.273 420 S C -1.498 173.256 174.600 0.257 0.000 1.152 420 S CA -0.807 57.516 58.200 0.204 0.000 0.910 420 S CB 1.119 64.367 63.200 0.081 0.000 1.105 420 S HN 0.507 nan 8.310 nan 0.000 0.465 421 L N 3.430 124.796 121.223 0.238 0.000 2.399 421 L HA 0.690 5.030 4.340 0.000 0.000 0.265 421 L C -0.400 176.486 176.870 0.026 0.000 1.089 421 L CA -0.087 54.806 54.840 0.088 0.000 0.802 421 L CB 1.418 43.463 42.059 -0.024 0.000 1.180 421 L HN 0.793 nan 8.230 nan 0.000 0.454 422 K N 2.462 122.856 120.400 -0.010 0.000 2.557 422 K HA 0.550 4.870 4.320 0.000 0.000 0.257 422 K C -1.158 175.416 176.600 -0.044 0.000 0.933 422 K CA -0.881 55.395 56.287 -0.017 0.000 0.820 422 K CB 2.683 35.185 32.500 0.002 0.000 1.330 422 K HN 0.529 nan 8.250 nan 0.000 0.432 434 S N -2.371 113.361 115.700 0.053 0.000 2.587 434 S HA 0.292 4.762 4.470 0.000 0.000 0.269 434 S C 0.616 175.260 174.600 0.073 0.000 1.154 434 S CA -0.668 57.576 58.200 0.074 0.000 0.824 434 S CB 1.736 64.999 63.200 0.105 0.000 1.118 434 S HN -0.122 nan 8.310 nan 0.000 0.462 435 V N 0.961 120.936 119.914 0.101 0.000 2.515 435 V HA -0.084 4.036 4.120 0.000 0.000 0.250 435 V C 2.618 178.800 176.094 0.148 0.000 1.058 435 V CA 2.413 64.793 62.300 0.134 0.000 1.064 435 V CB -0.626 31.294 31.823 0.162 0.000 0.675 435 V HN 1.068 nan 8.190 nan 0.000 0.461 436 T N -0.988 113.659 114.554 0.155 0.000 3.113 436 T HA -0.058 4.292 4.350 0.000 0.000 0.263 436 T C 1.394 176.158 174.700 0.106 0.000 1.143 436 T CA 0.994 63.185 62.100 0.152 0.000 1.090 436 T CB -0.130 68.860 68.868 0.203 0.000 0.922 436 T HN 0.613 nan 8.240 nan 0.000 0.521 437 E N 0.175 120.414 120.200 0.065 0.000 2.526 437 E HA 0.135 4.485 4.350 0.000 0.000 0.208 437 E C -0.049 176.490 176.600 -0.102 0.000 0.997 437 E CA -0.120 56.264 56.400 -0.026 0.000 0.961 437 E CB 0.578 30.262 29.700 -0.026 0.000 1.030 437 E HN 0.501 nan 8.360 nan 0.000 0.483 438 E N 2.177 122.341 120.200 -0.060 0.000 2.159 438 E HA 0.051 4.401 4.350 0.000 0.000 0.272 438 E C -0.659 175.783 176.600 -0.264 0.000 1.138 438 E CA 0.296 56.593 56.400 -0.171 0.000 0.915 438 E CB 0.475 30.151 29.700 -0.040 0.000 1.028 438 E HN -0.055 nan 8.360 nan 0.000 0.423 439 K N 3.055 123.206 120.400 -0.416 0.000 2.201 439 K HA 0.345 4.665 4.320 0.000 0.000 0.278 439 K C -0.809 175.403 176.600 -0.647 0.000 1.027 439 K CA -0.207 55.810 56.287 -0.450 0.000 0.909 439 K CB 0.755 32.933 32.500 -0.538 0.000 1.062 439 K HN 0.254 nan 8.250 nan 0.000 0.465 440 F N -0.070 119.736 119.950 -0.239 0.000 2.579 440 F HA 0.410 4.937 4.527 -0.000 0.000 0.324 440 F C 0.504 176.206 175.800 -0.163 0.000 1.058 440 F CA -0.839 57.078 58.000 -0.138 0.000 0.944 440 F CB 2.318 41.264 39.000 -0.089 0.000 1.245 440 F HN 0.280 nan 8.300 nan 0.000 0.477 441 T N 1.098 115.764 114.554 0.188 0.000 2.893 441 T HA 0.609 4.959 4.350 0.000 0.000 0.293 441 T C -1.509 173.296 174.700 0.175 0.000 1.027 441 T CA -0.603 61.610 62.100 0.188 0.000 0.988 441 T CB 1.111 70.221 68.868 0.403 0.000 1.043 441 T HN 0.353 nan 8.240 nan 0.000 0.461 442 V N 6.092 126.100 119.914 0.155 0.000 2.408 442 V HA 0.386 4.506 4.120 0.000 0.000 0.267 442 V C 0.393 176.557 176.094 0.116 0.000 1.047 442 V CA -0.690 61.664 62.300 0.090 0.000 0.937 442 V CB 0.455 32.353 31.823 0.126 0.000 0.999 442 V HN 0.814 nan 8.190 nan 0.000 0.472 443 L N 6.093 127.318 121.223 0.002 0.000 2.305 443 L HA 0.592 4.932 4.340 0.000 0.000 0.281 443 L C -0.904 175.921 176.870 -0.075 0.000 1.085 443 L CA 0.408 55.295 54.840 0.079 0.000 0.813 443 L CB 0.640 42.744 42.059 0.075 0.000 1.157 443 L HN 0.447 nan 8.230 nan 0.000 0.436 444 F N 3.669 123.686 119.950 0.113 0.000 2.375 444 F HA 0.433 4.960 4.527 -0.000 0.000 0.361 444 F C -0.045 175.952 175.800 0.328 0.000 1.117 444 F CA -0.552 57.549 58.000 0.168 0.000 1.037 444 F CB 1.189 40.234 39.000 0.076 0.000 1.192 444 F HN 0.551 nan 8.300 nan 0.000 0.452 445 E N 1.058 121.461 120.200 0.339 0.000 2.227 445 E HA 0.785 5.135 4.350 0.000 0.000 0.268 445 E C -1.032 175.668 176.600 0.166 0.000 0.907 445 E CA -1.058 55.471 56.400 0.215 0.000 0.786 445 E CB 2.450 32.218 29.700 0.112 0.000 1.191 445 E HN 0.353 nan 8.360 nan 0.000 0.411 446 S N 1.451 117.141 115.700 -0.017 0.000 2.570 446 S HA 0.297 4.767 4.470 0.000 0.000 0.270 446 S C -1.645 172.917 174.600 -0.063 0.000 1.149 446 S CA -0.627 57.582 58.200 0.015 0.000 0.837 446 S CB 1.860 65.075 63.200 0.025 0.000 1.124 446 S HN 0.612 nan 8.310 nan 0.000 0.465 447 Q N 1.406 121.238 119.800 0.053 0.000 2.421 447 Q HA 0.807 5.147 4.340 0.000 0.000 0.280 447 Q C -1.738 174.341 176.000 0.131 0.000 1.085 447 Q CA -0.830 54.939 55.803 -0.056 0.000 0.807 447 Q CB 1.992 30.716 28.738 -0.024 0.000 1.405 447 Q HN 0.800 nan 8.270 nan 0.000 0.419 448 F N -2.080 117.884 119.950 0.023 0.000 3.008 448 F HA 0.397 4.924 4.527 0.001 0.000 0.335 448 F C -1.827 174.004 175.800 0.052 0.000 1.116 448 F CA -1.136 56.881 58.000 0.028 0.000 0.877 448 F CB 0.262 39.278 39.000 0.026 0.000 1.420 448 F HN 0.348 nan 8.300 nan 0.000 0.450 449 S N 0.692 116.606 115.700 0.355 0.000 2.503 449 S HA 0.859 5.329 4.470 0.000 0.000 0.301 449 S C -1.126 173.654 174.600 0.299 0.000 1.087 449 S CA -0.858 57.470 58.200 0.214 0.000 1.042 449 S CB 1.901 65.152 63.200 0.085 0.000 1.043 449 S HN 0.773 nan 8.310 nan 0.000 0.489 450 V N 2.106 122.171 119.914 0.252 0.000 2.483 450 V HA 0.854 4.974 4.120 0.000 0.000 0.295 450 V C 0.973 177.084 176.094 0.029 0.000 1.035 450 V CA 0.599 62.989 62.300 0.150 0.000 0.896 450 V CB 0.404 32.370 31.823 0.238 0.000 0.986 450 V HN 1.521 nan 8.190 nan 0.000 0.447 451 G N 4.048 112.751 108.800 -0.163 0.000 2.632 451 G HA2 -0.209 3.751 3.960 0.000 0.000 0.224 451 G HA3 -0.209 3.751 3.960 0.000 0.000 0.224 451 G C 0.807 175.745 174.900 0.063 0.000 1.341 451 G CA 0.041 45.114 45.100 -0.044 0.000 0.880 451 G HN 0.729 nan 8.290 nan 0.000 0.566 452 S N -0.475 115.311 115.700 0.143 0.000 2.374 452 S HA -0.137 4.333 4.470 0.000 0.000 0.227 452 S C 1.766 176.407 174.600 0.068 0.000 1.037 452 S CA 2.552 60.804 58.200 0.087 0.000 1.024 452 S CB -0.211 63.049 63.200 0.100 0.000 0.861 452 S HN 1.146 nan 8.310 nan 0.000 0.456 453 N N -1.452 117.305 118.700 0.096 0.000 2.323 453 N HA -0.078 4.662 4.740 0.000 0.000 0.318 453 N C 1.015 176.574 175.510 0.082 0.000 0.772 453 N CA 0.714 53.807 53.050 0.071 0.000 0.619 453 N CB -0.412 38.099 38.487 0.039 0.000 2.293 453 N HN 0.180 nan 8.380 nan 0.000 1.086 454 E N 0.983 121.239 120.200 0.092 0.000 2.360 454 E HA -0.296 4.054 4.350 0.000 0.000 0.251 454 E C -0.093 176.510 176.600 0.005 0.000 1.042 454 E CA 1.197 57.629 56.400 0.053 0.000 1.063 454 E CB -0.834 28.904 29.700 0.063 0.000 0.970 454 E HN 0.216 nan 8.360 nan 0.000 0.513 455 L N 1.295 122.538 121.223 0.034 0.000 2.410 455 L HA 0.194 4.534 4.340 0.000 0.000 0.273 455 L C -0.052 176.675 176.870 -0.238 0.000 1.152 455 L CA 0.200 54.958 54.840 -0.137 0.000 0.855 455 L CB 1.323 43.358 42.059 -0.040 0.000 1.129 455 L HN 0.292 nan 8.230 nan 0.000 0.463 456 V N 5.138 124.767 119.914 -0.476 0.000 2.638 456 V HA 0.632 4.752 4.120 0.000 0.000 0.306 456 V C -1.031 174.666 176.094 -0.661 0.000 1.052 456 V CA -0.433 61.636 62.300 -0.386 0.000 0.885 456 V CB 1.593 33.301 31.823 -0.191 0.000 0.999 456 V HN 0.505 nan 8.190 nan 0.000 0.424 457 F N 3.718 123.484 119.950 -0.307 0.000 2.598 457 F HA 0.683 5.211 4.527 0.000 0.000 0.327 457 F C 0.061 175.584 175.800 -0.463 0.000 1.057 457 F CA -0.667 57.105 58.000 -0.379 0.000 0.957 457 F CB 2.358 41.075 39.000 -0.472 0.000 1.278 457 F HN 0.538 nan 8.300 nan 0.000 0.484 458 Q N 1.932 121.674 119.800 -0.096 0.000 2.339 458 Q HA 0.592 4.932 4.340 0.000 0.000 0.268 458 Q C -1.036 174.863 176.000 -0.168 0.000 1.027 458 Q CA -0.991 54.711 55.803 -0.168 0.000 0.759 458 Q CB 2.118 30.805 28.738 -0.085 0.000 1.244 458 Q HN 0.547 nan 8.270 nan 0.000 0.464 459 V N -0.058 119.667 119.914 -0.316 0.000 2.607 459 V HA 0.577 4.697 4.120 0.000 0.000 0.289 459 V C -0.448 175.524 176.094 -0.202 0.000 1.053 459 V CA -0.470 61.634 62.300 -0.326 0.000 0.996 459 V CB 1.003 32.444 31.823 -0.637 0.000 0.995 459 V HN 0.679 nan 8.190 nan 0.000 0.476 460 K N 1.957 122.376 120.400 0.032 0.000 2.435 460 K HA 0.766 5.086 4.320 0.000 0.000 0.251 460 K C -0.815 175.995 176.600 0.350 0.000 0.954 460 K CA -0.513 55.889 56.287 0.191 0.000 0.820 460 K CB 2.335 34.906 32.500 0.119 0.000 1.292 460 K HN 0.954 nan 8.250 nan 0.000 0.436 461 T N 1.784 116.579 114.554 0.400 0.000 3.105 461 T HA 0.430 4.780 4.350 0.000 0.000 0.321 461 T C -1.658 173.201 174.700 0.264 0.000 1.135 461 T CA -0.651 61.626 62.100 0.295 0.000 1.053 461 T CB 0.564 69.558 68.868 0.210 0.000 1.133 461 T HN 0.352 nan 8.240 nan 0.000 0.463 462 L N 3.939 125.275 121.223 0.188 0.000 2.322 462 L HA 0.598 4.938 4.340 0.000 0.000 0.279 462 L C 0.959 177.950 176.870 0.201 0.000 1.036 462 L CA -0.851 54.112 54.840 0.205 0.000 0.807 462 L CB 1.863 44.013 42.059 0.152 0.000 1.226 462 L HN 0.812 nan 8.230 nan 0.000 0.433 463 S N 3.366 119.217 115.700 0.252 0.000 2.603 463 S HA 0.415 4.885 4.470 0.000 0.000 0.268 463 S C 0.089 174.800 174.600 0.185 0.000 1.317 463 S CA -0.833 57.484 58.200 0.196 0.000 1.012 463 S CB 0.644 63.990 63.200 0.243 0.000 0.926 463 S HN 0.440 nan 8.310 nan 0.000 0.539 464 L N 1.862 123.154 121.223 0.115 0.000 2.489 464 L HA 0.222 4.562 4.340 0.000 0.000 0.285 464 L C -1.932 174.976 176.870 0.063 0.000 1.259 464 L CA -1.488 53.416 54.840 0.107 0.000 0.828 464 L CB -0.413 41.665 42.059 0.031 0.000 1.094 464 L HN 0.533 nan 8.230 nan 0.000 0.524 465 P HA 0.192 nan 4.420 nan 0.000 0.274 465 P C -0.963 176.224 177.300 -0.188 0.000 1.237 465 P CA -0.216 62.686 63.100 -0.329 0.000 0.793 465 P CB 0.989 32.301 31.700 -0.646 0.000 0.977 466 V N 1.620 121.428 119.914 -0.176 0.000 2.876 466 V HA 0.331 4.452 4.120 0.000 0.000 0.312 466 V C -0.605 175.473 176.094 -0.026 0.000 1.085 466 V CA -0.730 61.518 62.300 -0.086 0.000 0.945 466 V CB 2.701 34.484 31.823 -0.066 0.000 1.017 466 V HN 0.149 nan 8.190 nan 0.000 0.428 467 V N 5.081 124.974 119.914 -0.035 0.000 2.326 467 V HA 0.396 4.516 4.120 0.000 0.000 0.281 467 V C -0.223 175.849 176.094 -0.036 0.000 1.015 467 V CA -0.632 61.678 62.300 0.016 0.000 0.823 467 V CB 1.608 33.423 31.823 -0.013 0.000 1.009 467 V HN 0.589 nan 8.190 nan 0.000 0.436 468 V N 6.764 126.671 119.914 -0.011 0.000 2.461 468 V HA 0.460 4.580 4.120 0.000 0.000 0.275 468 V C 0.010 176.042 176.094 -0.103 0.000 1.047 468 V CA -0.301 61.903 62.300 -0.159 0.000 0.955 468 V CB 1.101 32.683 31.823 -0.401 0.000 0.988 468 V HN 0.812 nan 8.190 nan 0.000 0.471 469 I N 3.086 123.557 120.570 -0.166 0.000 2.439 469 I HA 0.634 4.804 4.170 0.000 0.000 0.283 469 I C -0.552 175.526 176.117 -0.065 0.000 1.023 469 I CA -0.712 60.435 61.300 -0.255 0.000 1.100 469 I CB 1.820 39.418 38.000 -0.671 0.000 1.238 469 I HN 0.329 nan 8.210 nan 0.000 0.445 470 V N 6.788 126.803 119.914 0.169 0.000 2.318 470 V HA 0.557 4.677 4.120 0.000 0.000 0.271 470 V C -0.855 175.440 176.094 0.335 0.000 1.030 470 V CA 0.545 62.952 62.300 0.178 0.000 0.844 470 V CB 0.318 32.192 31.823 0.085 0.000 1.015 470 V HN 0.878 nan 8.190 nan 0.000 0.460 471 H N 2.822 121.891 119.070 -0.003 0.000 3.161 471 H HA 0.689 5.245 4.556 -0.000 0.000 0.285 471 H C 0.718 176.047 175.328 0.000 0.000 1.588 471 H CA 0.190 56.239 56.048 0.002 0.000 1.218 471 H CB 1.608 31.368 29.762 -0.004 0.000 1.841 471 H HN 0.496 nan 8.280 nan 0.000 0.623 472 G N -0.564 108.296 108.800 0.101 0.000 2.558 472 G HA2 0.284 4.244 3.960 0.000 0.000 0.218 472 G HA3 0.284 4.244 3.960 0.000 0.000 0.218 472 G C -0.547 174.425 174.900 0.119 0.000 1.567 472 G CA 0.333 45.480 45.100 0.077 0.000 0.950 472 G HN 0.392 nan 8.290 nan 0.000 0.517 473 S N -0.654 115.117 115.700 0.119 0.000 2.668 473 S HA 0.476 4.946 4.470 0.000 0.000 0.277 473 S C -1.074 173.601 174.600 0.125 0.000 1.170 473 S CA -0.429 57.824 58.200 0.087 0.000 0.994 473 S CB 1.895 65.071 63.200 -0.040 0.000 1.051 473 S HN 0.355 nan 8.310 nan 0.000 0.484 474 Q N 1.658 121.589 119.800 0.217 0.000 2.656 474 Q HA 0.264 4.604 4.340 0.000 0.000 0.389 474 Q C 0.408 176.383 176.000 -0.043 0.000 0.883 474 Q CA -0.210 55.673 55.803 0.133 0.000 1.056 474 Q CB 0.479 29.439 28.738 0.369 0.000 1.391 474 Q HN 0.625 nan 8.270 nan 0.000 0.399 475 D N -0.133 120.162 120.400 -0.176 0.000 2.190 475 D HA -0.215 4.425 4.640 0.000 0.000 0.200 475 D C 0.834 177.170 176.300 0.060 0.000 0.992 475 D CA 1.467 55.393 54.000 -0.123 0.000 0.854 475 D CB 0.369 41.063 40.800 -0.176 0.000 0.936 475 D HN 0.636 nan 8.370 nan 0.000 0.462 476 H N 0.108 119.276 119.070 0.164 0.000 2.293 476 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 476 H C 2.116 177.698 175.328 0.423 0.000 1.082 476 H CA 0.840 57.061 56.048 0.287 0.000 1.308 476 H CB 0.139 30.007 29.762 0.176 0.000 1.375 476 H HN 0.074 nan 8.280 nan 0.000 0.495 477 N N 0.528 119.471 118.700 0.405 0.000 2.142 477 N HA -0.091 4.649 4.740 0.000 0.000 0.186 477 N C 2.130 177.779 175.510 0.232 0.000 1.023 477 N CA 0.983 54.226 53.050 0.322 0.000 0.852 477 N CB -0.274 38.373 38.487 0.266 0.000 0.998 477 N HN 0.314 nan 8.380 nan 0.000 0.424 478 A N 0.598 123.518 122.820 0.168 0.000 1.851 478 A HA -0.164 4.156 4.320 0.000 0.000 0.216 478 A C 2.348 179.988 177.584 0.093 0.000 1.195 478 A CA 2.184 54.277 52.037 0.094 0.000 0.622 478 A CB -1.371 17.637 19.000 0.014 0.000 0.831 478 A HN 0.288 nan 8.150 nan 0.000 0.444 479 T N -0.578 114.062 114.554 0.143 0.000 2.918 479 T HA -0.020 4.330 4.350 0.000 0.000 0.271 479 T C 1.785 176.495 174.700 0.016 0.000 1.104 479 T CA 1.552 63.742 62.100 0.150 0.000 1.114 479 T CB -0.401 68.640 68.868 0.289 0.000 0.855 479 T HN 0.581 nan 8.240 nan 0.000 0.518 480 A N 0.342 123.087 122.820 -0.125 0.000 1.861 480 A HA 0.008 4.328 4.320 0.000 0.000 0.212 480 A C 2.541 180.192 177.584 0.112 0.000 1.199 480 A CA 1.949 53.714 52.037 -0.453 0.000 0.613 480 A CB -1.299 17.200 19.000 -0.836 0.000 0.846 480 A HN 0.532 nan 8.150 nan 0.000 0.446 481 T N -1.208 113.483 114.554 0.229 0.000 2.929 481 T HA -0.096 4.254 4.350 0.000 0.000 0.271 481 T C 1.670 176.361 174.700 -0.015 0.000 1.085 481 T CA 1.871 64.004 62.100 0.056 0.000 1.125 481 T CB -0.475 68.340 68.868 -0.088 0.000 0.874 481 T HN 0.045 nan 8.240 nan 0.000 0.494 482 V N 1.644 121.555 119.914 -0.004 0.000 2.283 482 V HA -0.015 4.105 4.120 0.000 0.000 0.243 482 V C 2.649 178.724 176.094 -0.031 0.000 1.039 482 V CA 1.356 63.637 62.300 -0.032 0.000 1.016 482 V CB -0.740 31.066 31.823 -0.027 0.000 0.650 482 V HN 0.430 nan 8.190 nan 0.000 0.449 483 L N -0.845 120.360 121.223 -0.029 0.000 1.991 483 L HA -0.273 4.067 4.340 0.000 0.000 0.221 483 L C 2.254 179.034 176.870 -0.149 0.000 1.079 483 L CA 2.715 57.509 54.840 -0.077 0.000 0.778 483 L CB -1.073 40.920 42.059 -0.109 0.000 0.893 483 L HN 0.517 nan 8.230 nan 0.000 0.437 484 W N 0.844 122.014 121.300 -0.217 0.000 2.374 484 W HA -0.228 4.432 4.660 -0.000 0.000 0.288 484 W C 2.628 179.001 176.519 -0.243 0.000 1.218 484 W CA 1.862 59.066 57.345 -0.234 0.000 1.245 484 W CB -0.206 29.332 29.460 0.130 0.000 1.126 484 W HN 0.358 nan 8.180 nan 0.000 0.545 485 D N -0.680 119.755 120.400 0.058 0.000 2.103 485 D HA -0.169 4.471 4.640 0.000 0.000 0.199 485 D C 1.474 177.719 176.300 -0.092 0.000 0.978 485 D CA 1.403 55.407 54.000 0.006 0.000 0.829 485 D CB -0.364 40.425 40.800 -0.019 0.000 0.981 485 D HN 0.310 nan 8.370 nan 0.000 0.464 486 N N 0.036 118.647 118.700 -0.148 0.000 2.142 486 N HA -0.110 4.630 4.740 0.000 0.000 0.186 486 N C 1.901 177.255 175.510 -0.260 0.000 1.023 486 N CA 0.947 53.900 53.050 -0.161 0.000 0.852 486 N CB 0.037 38.439 38.487 -0.141 0.000 0.998 486 N HN 0.112 nan 8.380 nan 0.000 0.424 487 A N 0.924 123.441 122.820 -0.506 0.000 1.841 487 A HA -0.058 4.262 4.320 0.000 0.000 0.214 487 A C 1.509 178.779 177.584 -0.523 0.000 1.195 487 A CA 1.172 52.761 52.037 -0.747 0.000 0.611 487 A CB -0.780 17.266 19.000 -1.590 0.000 0.835 487 A HN 0.309 nan 8.150 nan 0.000 0.443 488 F N 0.158 119.961 119.950 -0.245 0.000 2.727 488 F HA 0.428 4.955 4.527 -0.000 0.000 0.302 488 F C 1.366 177.080 175.800 -0.143 0.000 1.097 488 F CA -0.183 57.657 58.000 -0.267 0.000 1.330 488 F CB 0.030 38.725 39.000 -0.507 0.000 1.084 488 F HN 0.169 nan 8.300 nan 0.000 0.578 489 A N 1.370 124.205 122.820 0.025 0.000 2.561 489 A HA -0.014 4.306 4.320 0.000 0.000 0.251 489 A C 0.304 177.907 177.584 0.031 0.000 1.062 489 A CA -0.054 52.008 52.037 0.042 0.000 0.761 489 A CB -0.201 18.820 19.000 0.035 0.000 0.986 489 A HN 0.227 nan 8.150 nan 0.000 0.510 490 E N 2.527 122.746 120.200 0.033 0.000 2.398 490 E HA 0.320 4.670 4.350 0.000 0.000 0.263 490 E C -2.305 174.301 176.600 0.010 0.000 1.046 490 E CA -1.600 54.810 56.400 0.017 0.000 0.908 490 E CB 0.204 29.912 29.700 0.014 0.000 0.963 490 E HN 0.424 nan 8.360 nan 0.000 0.431 491 P HA 0.153 nan 4.420 nan 0.000 0.271 491 P C 0.021 177.322 177.300 0.001 0.000 1.220 491 P CA 0.506 63.609 63.100 0.006 0.000 0.768 491 P CB 0.769 32.474 31.700 0.007 0.000 0.848 492 G N 2.556 111.354 108.800 -0.003 0.000 2.225 492 G HA2 -0.309 3.651 3.960 0.000 0.000 0.267 492 G HA3 -0.309 3.651 3.960 0.000 0.000 0.267 492 G C -0.034 174.851 174.900 -0.026 0.000 1.024 492 G CA -0.165 44.927 45.100 -0.014 0.000 0.784 492 G HN 0.693 nan 8.290 nan 0.000 0.507 493 R N -0.704 119.781 120.500 -0.025 0.000 2.522 493 R HA 0.449 4.789 4.340 0.000 0.000 0.284 493 R C 0.737 176.988 176.300 -0.082 0.000 1.032 493 R CA -0.206 55.873 56.100 -0.034 0.000 1.049 493 R CB 0.692 30.986 30.300 -0.010 0.000 0.956 493 R HN 0.727 nan 8.270 nan 0.000 0.422 494 V N 6.054 125.921 119.914 -0.078 0.000 2.475 494 V HA -0.017 4.103 4.120 0.000 0.000 0.292 494 V C -1.336 174.635 176.094 -0.206 0.000 1.003 494 V CA -0.806 61.426 62.300 -0.113 0.000 1.120 494 V CB 0.319 32.099 31.823 -0.072 0.000 0.937 494 V HN 0.766 nan 8.190 nan 0.000 0.476 495 P HA -0.292 nan 4.420 nan 0.000 0.241 495 P C 0.415 177.193 177.300 -0.870 0.000 0.753 495 P CA 2.517 65.130 63.100 -0.811 0.000 1.066 495 P CB -0.187 30.984 31.700 -0.882 0.000 0.755 496 F N -2.486 117.451 119.950 -0.022 0.000 2.963 496 F HA 0.482 5.009 4.527 0.000 0.000 0.321 496 F C 0.712 176.498 175.800 -0.024 0.000 1.234 496 F CA -0.748 57.234 58.000 -0.029 0.000 1.296 496 F CB -0.111 38.858 39.000 -0.052 0.000 0.981 496 F HN -0.101 nan 8.300 nan 0.000 0.507 497 A N 1.712 124.573 122.820 0.069 0.000 2.444 497 A HA 0.511 4.831 4.320 0.000 0.000 0.287 497 A C 0.183 177.823 177.584 0.093 0.000 1.195 497 A CA -0.344 51.728 52.037 0.058 0.000 0.858 497 A CB -0.543 18.468 19.000 0.018 0.000 1.117 497 A HN 0.289 nan 8.150 nan 0.000 0.521 498 V N 1.437 121.424 119.914 0.121 0.000 2.850 498 V HA 0.665 4.785 4.120 0.000 0.000 0.315 498 V C -2.219 174.006 176.094 0.219 0.000 1.064 498 V CA -2.242 60.174 62.300 0.195 0.000 0.979 498 V CB 0.532 32.519 31.823 0.272 0.000 1.039 498 V HN 0.674 nan 8.190 nan 0.000 0.452 499 P HA 0.216 nan 4.420 nan 0.000 0.273 499 P C -0.139 177.441 177.300 0.467 0.000 1.258 499 P CA 0.134 63.374 63.100 0.234 0.000 0.802 499 P CB 0.585 32.292 31.700 0.011 0.000 1.040 500 D N -2.039 118.577 120.400 0.359 0.000 2.597 500 D HA 0.026 4.666 4.640 0.000 0.000 0.261 500 D C 0.036 176.643 176.300 0.511 0.000 1.023 500 D CA 0.517 54.732 54.000 0.359 0.000 0.927 500 D CB 0.342 41.244 40.800 0.170 0.000 1.168 500 D HN 0.314 nan 8.370 nan 0.000 0.491 501 K N -0.299 120.294 120.400 0.323 0.000 2.258 501 K HA 0.709 5.029 4.320 0.000 0.000 0.236 501 K C -1.127 175.488 176.600 0.025 0.000 1.008 501 K CA -0.998 55.439 56.287 0.250 0.000 0.869 501 K CB 2.836 35.429 32.500 0.156 0.000 1.171 501 K HN -0.120 nan 8.250 nan 0.000 0.447 502 V N 1.352 121.216 119.914 -0.083 0.000 2.969 502 V HA 0.163 4.283 4.120 0.000 0.000 0.304 502 V C -1.442 174.551 176.094 -0.167 0.000 1.192 502 V CA -1.046 61.029 62.300 -0.375 0.000 0.962 502 V CB 2.243 33.442 31.823 -1.040 0.000 1.045 502 V HN 0.578 nan 8.190 nan 0.000 0.428 503 L N 4.535 125.662 121.223 -0.160 0.000 2.410 503 L HA 0.175 4.515 4.340 0.000 0.000 0.273 503 L C 1.149 178.043 176.870 0.040 0.000 1.152 503 L CA 0.642 55.477 54.840 -0.008 0.000 0.855 503 L CB 0.323 42.370 42.059 -0.020 0.000 1.129 503 L HN 0.910 nan 8.230 nan 0.000 0.463 504 W N 6.362 127.677 121.300 0.025 0.000 2.280 504 W HA -0.257 4.403 4.660 -0.000 0.000 0.332 504 W C -0.813 175.706 176.519 -0.001 0.000 1.300 504 W CA 2.106 59.488 57.345 0.062 0.000 1.274 504 W CB -0.995 28.569 29.460 0.173 0.000 1.141 504 W HN 0.538 nan 8.180 nan 0.000 0.474 505 P HA -0.254 nan 4.420 nan 0.000 0.221 505 P C 1.520 178.689 177.300 -0.219 0.000 1.145 505 P CA 2.616 65.612 63.100 -0.173 0.000 0.795 505 P CB -0.523 31.172 31.700 -0.007 0.000 0.775 506 Q N -0.604 119.081 119.800 -0.192 0.000 2.137 506 Q HA -0.050 4.290 4.340 0.000 0.000 0.198 506 Q C 2.361 178.295 176.000 -0.110 0.000 0.960 506 Q CA 0.681 56.400 55.803 -0.141 0.000 0.847 506 Q CB -1.185 27.463 28.738 -0.150 0.000 0.915 506 Q HN 0.223 nan 8.270 nan 0.000 0.448 507 L N 0.730 121.786 121.223 -0.277 0.000 2.127 507 L HA -0.188 4.152 4.340 0.000 0.000 0.211 507 L C 2.283 178.898 176.870 -0.426 0.000 1.089 507 L CA 1.031 55.708 54.840 -0.272 0.000 0.757 507 L CB -0.304 41.484 42.059 -0.453 0.000 0.899 507 L HN 0.490 nan 8.230 nan 0.000 0.434 508 C N 0.538 119.460 119.300 -0.630 0.000 2.429 508 C HA -0.178 4.282 4.460 0.000 0.000 0.277 508 C C 2.532 177.387 174.990 -0.224 0.000 1.262 508 C CA 1.315 60.016 59.018 -0.529 0.000 1.733 508 C CB -0.913 26.512 27.740 -0.526 0.000 2.010 508 C HN 0.677 nan 8.230 nan 0.000 0.483 509 E N 1.274 121.382 120.200 -0.153 0.000 2.299 509 E HA 0.063 4.413 4.350 0.000 0.000 0.193 509 E C 1.962 178.536 176.600 -0.042 0.000 0.998 509 E CA 1.033 57.393 56.400 -0.065 0.000 0.851 509 E CB -0.239 29.435 29.700 -0.044 0.000 0.795 509 E HN 0.553 nan 8.360 nan 0.000 0.492 510 A N 2.235 125.011 122.820 -0.072 0.000 1.841 510 A HA -0.080 4.240 4.320 0.000 0.000 0.214 510 A C 2.283 179.885 177.584 0.029 0.000 1.195 510 A CA 1.125 53.112 52.037 -0.083 0.000 0.611 510 A CB -0.846 18.029 19.000 -0.209 0.000 0.835 510 A HN 0.233 nan 8.150 nan 0.000 0.443 511 L N -0.470 120.765 121.223 0.019 0.000 1.997 511 L HA -0.313 4.027 4.340 0.000 0.000 0.216 511 L C 2.555 179.620 176.870 0.324 0.000 1.074 511 L CA 2.160 57.080 54.840 0.134 0.000 0.763 511 L CB -0.811 41.137 42.059 -0.185 0.000 0.890 511 L HN 0.632 nan 8.230 nan 0.000 0.434 512 N N -0.345 118.457 118.700 0.170 0.000 2.036 512 N HA -0.283 4.457 4.740 0.000 0.000 0.195 512 N C 2.015 177.666 175.510 0.235 0.000 1.037 512 N CA 1.714 54.883 53.050 0.197 0.000 0.855 512 N CB -0.099 38.443 38.487 0.091 0.000 1.033 512 N HN 0.214 nan 8.380 nan 0.000 0.423 513 M N 0.441 120.129 119.600 0.147 0.000 2.082 513 M HA -0.239 4.241 4.480 0.000 0.000 0.258 513 M C 2.059 178.436 176.300 0.128 0.000 1.071 513 M CA 1.746 57.109 55.300 0.104 0.000 1.103 513 M CB -0.101 32.525 32.600 0.044 0.000 1.307 513 M HN -0.008 nan 8.290 nan 0.000 0.409 514 K N -0.075 120.433 120.400 0.180 0.000 2.097 514 K HA -0.167 4.153 4.320 0.000 0.000 0.206 514 K C 1.597 178.320 176.600 0.204 0.000 1.049 514 K CA 1.645 58.055 56.287 0.204 0.000 0.933 514 K CB -0.735 31.956 32.500 0.318 0.000 0.717 514 K HN 0.400 nan 8.250 nan 0.000 0.442 515 F N 1.735 121.774 119.950 0.147 0.000 2.026 515 F HA -0.244 4.283 4.527 -0.000 0.000 0.296 515 F C 1.674 177.426 175.800 -0.080 0.000 1.133 515 F CA 1.965 59.975 58.000 0.016 0.000 1.188 515 F CB -0.251 38.781 39.000 0.054 0.000 0.968 515 F HN -0.059 nan 8.300 nan 0.000 0.476 516 K N 0.527 120.948 120.400 0.033 0.000 2.020 516 K HA -0.243 4.077 4.320 0.000 0.000 0.212 516 K C 2.284 178.803 176.600 -0.134 0.000 1.050 516 K CA 1.568 57.812 56.287 -0.071 0.000 0.929 516 K CB -1.091 31.458 32.500 0.083 0.000 0.714 516 K HN 0.415 nan 8.250 nan 0.000 0.443 517 A N 1.592 124.375 122.820 -0.062 0.000 1.917 517 A HA -0.266 4.054 4.320 0.000 0.000 0.219 517 A C 2.163 179.682 177.584 -0.109 0.000 1.182 517 A CA 2.151 54.152 52.037 -0.060 0.000 0.633 517 A CB -0.448 18.542 19.000 -0.016 0.000 0.819 517 A HN 0.405 nan 8.150 nan 0.000 0.448 518 E N -0.369 119.733 120.200 -0.163 0.000 2.051 518 E HA -0.084 4.266 4.350 0.000 0.000 0.189 518 E C 1.755 178.187 176.600 -0.280 0.000 0.979 518 E CA 1.556 57.842 56.400 -0.190 0.000 0.803 518 E CB -0.153 29.431 29.700 -0.193 0.000 0.761 518 E HN 0.500 nan 8.360 nan 0.000 0.451 519 V N -1.617 118.019 119.914 -0.464 0.000 3.541 519 V HA 0.121 4.241 4.120 0.000 0.000 0.267 519 V C 0.490 176.415 176.094 -0.282 0.000 1.213 519 V CA 0.491 62.505 62.300 -0.477 0.000 1.149 519 V CB -0.648 30.658 31.823 -0.861 0.000 0.822 519 V HN 0.299 nan 8.190 nan 0.000 0.462 520 Q N 0.595 120.263 119.800 -0.220 0.000 2.453 520 Q HA -0.190 4.150 4.340 0.000 0.000 0.330 520 Q C 0.121 176.082 176.000 -0.065 0.000 1.417 520 Q CA 0.919 56.653 55.803 -0.115 0.000 0.902 520 Q CB -1.278 27.407 28.738 -0.088 0.000 1.154 520 Q HN 0.884 nan 8.270 nan 0.000 0.395 521 S N -0.168 115.498 115.700 -0.056 0.000 2.564 521 S HA 0.563 5.033 4.470 0.000 0.000 0.274 521 S C -0.127 174.519 174.600 0.078 0.000 1.124 521 S CA -0.489 57.742 58.200 0.052 0.000 0.869 521 S CB 0.966 64.262 63.200 0.161 0.000 1.105 521 S HN 0.443 nan 8.310 nan 0.000 0.472 522 N N 1.703 120.473 118.700 0.116 0.000 2.389 522 N HA 0.221 4.961 4.740 0.000 0.000 0.237 522 N C -0.469 175.172 175.510 0.219 0.000 1.148 522 N CA -0.333 52.799 53.050 0.137 0.000 0.854 522 N CB -0.230 38.316 38.487 0.098 0.000 1.115 522 N HN 0.182 nan 8.380 nan 0.000 0.492 523 R N 0.793 121.494 120.500 0.335 0.000 2.419 523 R HA 0.437 4.777 4.340 0.000 0.000 0.305 523 R C 0.800 177.471 176.300 0.619 0.000 1.242 523 R CA -0.313 56.127 56.100 0.568 0.000 1.105 523 R CB -0.045 30.767 30.300 0.854 0.000 1.116 523 R HN 0.384 nan 8.270 nan 0.000 0.523 524 G N 1.300 110.354 108.800 0.424 0.000 2.588 524 G HA2 0.238 4.198 3.960 0.000 0.000 0.281 524 G HA3 0.238 4.198 3.960 0.000 0.000 0.281 524 G C -0.709 174.362 174.900 0.285 0.000 1.236 524 G CA -0.708 44.593 45.100 0.336 0.000 0.969 524 G HN 0.333 nan 8.290 nan 0.000 0.504 525 L N 1.852 123.108 121.223 0.054 0.000 2.600 525 L HA 0.176 4.516 4.340 0.000 0.000 0.278 525 L C 1.711 178.616 176.870 0.059 0.000 1.139 525 L CA -0.201 54.592 54.840 -0.079 0.000 0.933 525 L CB -0.822 41.109 42.059 -0.213 0.000 1.266 525 L HN 0.707 nan 8.230 nan 0.000 0.471 526 T N 0.322 114.955 114.554 0.131 0.000 2.701 526 T HA 0.148 4.498 4.350 0.000 0.000 0.303 526 T C 1.519 176.288 174.700 0.115 0.000 1.030 526 T CA -0.585 61.598 62.100 0.138 0.000 1.010 526 T CB 0.974 69.940 68.868 0.163 0.000 1.007 526 T HN 0.403 nan 8.240 nan 0.000 0.532 527 K N 0.800 121.272 120.400 0.119 0.000 2.032 527 K HA -0.165 4.155 4.320 0.000 0.000 0.218 527 K C 2.356 179.044 176.600 0.147 0.000 1.054 527 K CA 2.213 58.575 56.287 0.125 0.000 0.941 527 K CB -0.647 31.925 32.500 0.120 0.000 0.720 527 K HN 0.780 nan 8.250 nan 0.000 0.449 528 E N 0.387 120.679 120.200 0.153 0.000 2.023 528 E HA -0.212 4.138 4.350 0.000 0.000 0.196 528 E C 1.973 178.695 176.600 0.203 0.000 1.003 528 E CA 1.594 58.101 56.400 0.178 0.000 0.809 528 E CB -0.389 29.412 29.700 0.169 0.000 0.755 528 E HN 0.399 nan 8.360 nan 0.000 0.449 529 N N 0.936 119.739 118.700 0.171 0.000 2.027 529 N HA -0.236 4.504 4.740 0.000 0.000 0.200 529 N C 2.043 177.625 175.510 0.121 0.000 1.042 529 N CA 1.241 54.347 53.050 0.094 0.000 0.871 529 N CB -0.360 38.047 38.487 -0.133 0.000 1.063 529 N HN 0.051 nan 8.380 nan 0.000 0.438 530 L N 0.698 121.984 121.223 0.104 0.000 2.085 530 L HA -0.276 4.064 4.340 0.000 0.000 0.218 530 L C 2.251 179.291 176.870 0.282 0.000 1.080 530 L CA 1.206 56.170 54.840 0.206 0.000 0.776 530 L CB -0.601 41.568 42.059 0.183 0.000 0.891 530 L HN 0.168 nan 8.230 nan 0.000 0.437 531 V N -0.578 119.461 119.914 0.208 0.000 2.283 531 V HA -0.304 3.816 4.120 0.000 0.000 0.243 531 V C 2.163 178.327 176.094 0.118 0.000 1.039 531 V CA 1.880 64.251 62.300 0.118 0.000 1.016 531 V CB -0.619 31.309 31.823 0.174 0.000 0.650 531 V HN 0.414 nan 8.190 nan 0.000 0.449 532 F N 0.856 120.883 119.950 0.128 0.000 2.082 532 F HA -0.317 4.210 4.527 0.000 0.000 0.298 532 F C 1.908 177.805 175.800 0.161 0.000 1.091 532 F CA 2.128 60.228 58.000 0.166 0.000 1.230 532 F CB -0.543 38.625 39.000 0.280 0.000 0.983 532 F HN 0.075 nan 8.300 nan 0.000 0.485 533 L N 0.510 121.795 121.223 0.103 0.000 1.943 533 L HA -0.206 4.134 4.340 0.000 0.000 0.215 533 L C 2.958 179.781 176.870 -0.078 0.000 1.074 533 L CA 1.625 56.570 54.840 0.175 0.000 0.759 533 L CB -1.620 40.787 42.059 0.579 0.000 0.888 533 L HN 0.251 nan 8.230 nan 0.000 0.433 534 A N -0.587 122.073 122.820 -0.267 0.000 1.954 534 A HA -0.370 3.950 4.320 0.000 0.000 0.222 534 A C 2.239 179.468 177.584 -0.591 0.000 1.199 534 A CA 2.491 53.892 52.037 -1.061 0.000 0.657 534 A CB -0.827 17.089 19.000 -1.807 0.000 0.823 534 A HN 0.582 nan 8.150 nan 0.000 0.463 535 Q N -0.993 118.606 119.800 -0.335 0.000 2.020 535 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 535 Q C 2.293 178.197 176.000 -0.160 0.000 0.982 535 Q CA 1.939 57.663 55.803 -0.133 0.000 0.838 535 Q CB -0.209 28.488 28.738 -0.069 0.000 0.899 535 Q HN 0.783 nan 8.270 nan 0.000 0.423 536 K N 0.493 120.723 120.400 -0.284 0.000 2.009 536 K HA -0.197 4.123 4.320 0.000 0.000 0.210 536 K C 2.081 178.636 176.600 -0.076 0.000 1.049 536 K CA 1.218 57.360 56.287 -0.242 0.000 0.929 536 K CB -0.268 31.945 32.500 -0.479 0.000 0.714 536 K HN 0.189 nan 8.250 nan 0.000 0.440 537 L N 0.592 121.740 121.223 -0.125 0.000 2.027 537 L HA -0.102 4.238 4.340 0.000 0.000 0.206 537 L C 1.844 178.456 176.870 -0.430 0.000 1.074 537 L CA 1.831 56.444 54.840 -0.377 0.000 0.745 537 L CB -0.843 40.553 42.059 -1.104 0.000 0.898 537 L HN 0.241 nan 8.230 nan 0.000 0.433 538 F N 0.195 119.960 119.950 -0.308 0.000 2.664 538 F HA 0.052 4.579 4.527 -0.000 0.000 0.296 538 F C 1.075 176.815 175.800 -0.099 0.000 1.125 538 F CA 0.431 58.317 58.000 -0.191 0.000 1.444 538 F CB -0.207 38.693 39.000 -0.167 0.000 1.114 538 F HN 0.272 nan 8.300 nan 0.000 0.576 539 N N 1.183 119.911 118.700 0.046 0.000 2.696 539 N HA -0.217 4.523 4.740 0.000 0.000 0.256 539 N C -1.109 174.430 175.510 0.049 0.000 1.031 539 N CA 0.237 53.302 53.050 0.025 0.000 0.730 539 N CB -1.018 37.471 38.487 0.003 0.000 0.894 539 N HN 0.174 nan 8.380 nan 0.000 0.544 540 I N -0.776 119.835 120.570 0.070 0.000 3.095 540 I HA 0.400 4.570 4.170 0.000 0.000 0.310 540 I C 1.052 177.201 176.117 0.054 0.000 1.196 540 I CA -0.576 60.752 61.300 0.047 0.000 0.985 540 I CB 1.731 39.745 38.000 0.024 0.000 1.250 540 I HN 0.102 nan 8.210 nan 0.000 0.446 541 S N 0.615 116.331 115.700 0.026 0.000 2.425 541 S HA 0.044 4.514 4.470 0.000 0.000 0.225 541 S C 0.656 175.291 174.600 0.058 0.000 1.024 541 S CA 0.187 58.409 58.200 0.036 0.000 0.951 541 S CB -0.312 62.897 63.200 0.015 0.000 0.796 541 S HN 0.673 nan 8.310 nan 0.000 0.498 542 S N 3.123 118.831 115.700 0.014 0.000 3.566 542 S HA -0.136 4.334 4.470 0.000 0.000 0.426 542 S C 1.045 175.727 174.600 0.137 0.000 1.154 542 S CA 0.414 58.608 58.200 -0.010 0.000 0.946 542 S CB -0.322 62.702 63.200 -0.293 0.000 0.666 542 S HN 0.798 nan 8.310 nan 0.000 0.494 543 N N 1.569 120.375 118.700 0.178 0.000 2.205 543 N HA 0.010 4.750 4.740 0.000 0.000 0.201 543 N C 0.063 175.753 175.510 0.301 0.000 1.128 543 N CA -0.407 52.768 53.050 0.209 0.000 0.867 543 N CB 0.359 38.926 38.487 0.133 0.000 0.996 543 N HN 0.765 nan 8.380 nan 0.000 0.503 544 H N -1.053 118.081 119.070 0.107 0.000 2.894 544 H HA 0.184 4.740 4.556 0.000 0.000 0.367 544 H C 0.337 175.760 175.328 0.157 0.000 1.144 544 H CA -1.105 55.015 56.048 0.120 0.000 1.180 544 H CB 1.171 30.979 29.762 0.076 0.000 1.758 544 H HN -0.040 nan 8.280 nan 0.000 0.541 545 L N 1.464 122.748 121.223 0.101 0.000 1.990 545 L HA -0.225 4.115 4.340 0.000 0.000 0.213 545 L C 2.573 179.480 176.870 0.062 0.000 1.072 545 L CA 2.169 57.107 54.840 0.163 0.000 0.755 545 L CB -0.259 41.908 42.059 0.179 0.000 0.889 545 L HN 0.832 nan 8.230 nan 0.000 0.432 546 E N -0.728 119.409 120.200 -0.105 0.000 2.333 546 E HA -0.291 4.059 4.350 0.000 0.000 0.200 546 E C 1.238 177.734 176.600 -0.174 0.000 1.010 546 E CA 1.469 57.810 56.400 -0.098 0.000 0.841 546 E CB -0.665 28.985 29.700 -0.083 0.000 0.757 546 E HN 0.583 nan 8.360 nan 0.000 0.508 547 D N 0.873 121.070 120.400 -0.338 0.000 2.116 547 D HA -0.186 4.454 4.640 0.000 0.000 0.193 547 D C 1.573 177.621 176.300 -0.419 0.000 0.998 547 D CA 1.345 55.088 54.000 -0.428 0.000 0.836 547 D CB -0.530 39.883 40.800 -0.645 0.000 0.951 547 D HN 0.447 nan 8.370 nan 0.000 0.449 548 Y N 0.923 121.089 120.300 -0.222 0.000 2.544 548 Y HA 0.006 4.556 4.550 -0.000 0.000 0.286 548 Y C 1.856 177.715 175.900 -0.067 0.000 1.141 548 Y CA 0.021 57.963 58.100 -0.264 0.000 1.299 548 Y CB -0.341 37.874 38.460 -0.408 0.000 1.030 548 Y HN -0.113 nan 8.280 nan 0.000 0.543 549 N N -0.187 118.575 118.700 0.104 0.000 2.187 549 N HA -0.202 4.538 4.740 0.000 0.000 0.194 549 N C 1.490 177.033 175.510 0.055 0.000 1.002 549 N CA 1.943 55.047 53.050 0.090 0.000 0.882 549 N CB -0.415 38.092 38.487 0.032 0.000 1.003 549 N HN 0.182 nan 8.380 nan 0.000 0.443 550 S N -0.553 115.146 115.700 -0.001 0.000 2.524 550 S HA 0.258 4.728 4.470 0.000 0.000 0.215 550 S C 0.801 175.396 174.600 -0.008 0.000 0.986 550 S CA -0.272 57.920 58.200 -0.014 0.000 0.911 550 S CB 0.463 63.637 63.200 -0.044 0.000 0.805 550 S HN 0.184 nan 8.310 nan 0.000 0.501 551 M N 1.948 121.537 119.600 -0.018 0.000 2.043 551 M HA 0.205 4.685 4.480 0.000 0.000 0.272 551 M C 0.332 176.732 176.300 0.166 0.000 1.279 551 M CA 0.345 55.636 55.300 -0.015 0.000 1.109 551 M CB 0.047 32.460 32.600 -0.312 0.000 1.377 551 M HN 0.219 nan 8.290 nan 0.000 0.469 552 S N -0.317 115.552 115.700 0.283 0.000 2.572 552 S HA 0.654 5.124 4.470 0.000 0.000 0.274 552 S C -1.102 173.690 174.600 0.321 0.000 1.150 552 S CA -1.019 57.335 58.200 0.256 0.000 0.944 552 S CB 1.376 64.659 63.200 0.138 0.000 1.071 552 S HN 0.423 nan 8.310 nan 0.000 0.479 553 V N 2.079 122.145 119.914 0.253 0.000 2.384 553 V HA 0.680 4.800 4.120 0.000 0.000 0.287 553 V C 0.681 176.919 176.094 0.240 0.000 1.020 553 V CA -0.674 61.735 62.300 0.181 0.000 0.850 553 V CB 1.130 33.053 31.823 0.167 0.000 0.987 553 V HN 1.023 nan 8.190 nan 0.000 0.436 554 S N 4.811 120.626 115.700 0.193 0.000 2.603 554 S HA 0.101 4.571 4.470 0.000 0.000 0.268 554 S C 1.040 175.780 174.600 0.233 0.000 1.317 554 S CA -0.334 58.004 58.200 0.230 0.000 1.012 554 S CB 0.669 63.952 63.200 0.138 0.000 0.926 554 S HN 0.937 nan 8.310 nan 0.000 0.539 555 W N 3.482 124.702 121.300 -0.133 0.000 2.304 555 W HA -0.240 4.420 4.660 0.000 0.000 0.315 555 W C 1.972 178.418 176.519 -0.122 0.000 1.233 555 W CA 2.225 59.264 57.345 -0.509 0.000 1.261 555 W CB -1.039 27.922 29.460 -0.831 0.000 1.150 555 W HN 0.924 nan 8.180 nan 0.000 0.494 556 S N 0.605 116.256 115.700 -0.082 0.000 2.447 556 S HA -0.229 4.241 4.470 0.000 0.000 0.233 556 S C 1.473 175.998 174.600 -0.125 0.000 1.006 556 S CA 1.469 59.583 58.200 -0.143 0.000 0.957 556 S CB -0.616 62.594 63.200 0.017 0.000 0.773 556 S HN 0.577 nan 8.310 nan 0.000 0.507 557 Q N -0.814 118.953 119.800 -0.055 0.000 2.360 557 Q HA 0.316 4.656 4.340 0.000 0.000 0.202 557 Q C 1.196 177.187 176.000 -0.015 0.000 0.915 557 Q CA 0.221 55.992 55.803 -0.053 0.000 0.943 557 Q CB -0.085 28.612 28.738 -0.069 0.000 1.064 557 Q HN 0.674 nan 8.270 nan 0.000 0.511 558 F N 0.330 120.158 119.950 -0.203 0.000 2.383 558 F HA 0.225 4.752 4.527 0.000 0.000 0.287 558 F C 0.990 176.708 175.800 -0.135 0.000 1.069 558 F CA 0.764 58.697 58.000 -0.111 0.000 1.402 558 F CB 0.598 39.561 39.000 -0.061 0.000 1.116 558 F HN -0.100 nan 8.300 nan 0.000 0.549 559 N N -1.198 117.181 118.700 -0.535 0.000 2.127 559 N HA 0.113 4.853 4.740 0.000 0.000 0.229 559 N C 1.093 176.341 175.510 -0.436 0.000 1.374 559 N CA -0.032 52.682 53.050 -0.560 0.000 0.763 559 N CB 0.236 38.224 38.487 -0.832 0.000 1.269 559 N HN 0.102 nan 8.380 nan 0.000 0.516 560 R N 0.423 120.709 120.500 -0.356 0.000 2.049 560 R HA 0.266 4.606 4.340 0.000 0.000 0.202 560 R C -0.495 175.766 176.300 -0.067 0.000 1.306 560 R CA 0.308 56.319 56.100 -0.148 0.000 1.107 560 R CB 0.054 30.298 30.300 -0.093 0.000 0.996 560 R HN -0.020 nan 8.270 nan 0.000 0.469 561 E N 2.160 122.324 120.200 -0.061 0.000 2.417 561 E HA 0.037 4.387 4.350 0.000 0.000 0.261 561 E C -0.930 175.658 176.600 -0.020 0.000 1.000 561 E CA 0.215 56.597 56.400 -0.031 0.000 0.919 561 E CB 0.460 30.142 29.700 -0.029 0.000 0.955 561 E HN 0.248 nan 8.360 nan 0.000 0.455 562 N N 3.030 121.723 118.700 -0.013 0.000 2.518 562 N HA 0.042 4.782 4.740 0.000 0.000 0.266 562 N C -0.178 175.307 175.510 -0.042 0.000 1.196 562 N CA -0.216 52.824 53.050 -0.018 0.000 0.947 562 N CB 0.660 39.136 38.487 -0.018 0.000 1.098 562 N HN 0.306 nan 8.380 nan 0.000 0.450 563 L N 3.657 124.844 121.223 -0.061 0.000 2.490 563 L HA 0.010 4.350 4.340 0.000 0.000 0.274 563 L C -1.049 175.785 176.870 -0.060 0.000 1.201 563 L CA -1.096 53.726 54.840 -0.029 0.000 0.869 563 L CB 0.154 42.225 42.059 0.020 0.000 1.123 563 L HN 0.330 nan 8.230 nan 0.000 0.484 564 P HA -0.276 nan 4.420 nan 0.000 0.225 564 P C 1.327 178.469 177.300 -0.262 0.000 1.154 564 P CA 2.005 65.030 63.100 -0.125 0.000 0.933 564 P CB 0.112 31.757 31.700 -0.092 0.000 0.790 565 G N -3.721 104.817 108.800 -0.438 0.000 2.484 565 G HA2 -0.062 3.898 3.960 0.000 0.000 0.218 565 G HA3 -0.062 3.898 3.960 0.000 0.000 0.218 565 G C 0.012 174.227 174.900 -1.141 0.000 1.130 565 G CA 0.223 44.700 45.100 -1.037 0.000 0.784 565 G HN 0.275 nan 8.290 nan 0.000 0.543 566 W N -1.758 119.393 121.300 -0.249 0.000 2.967 566 W HA 0.498 5.158 4.660 -0.000 0.000 0.342 566 W C 0.257 176.603 176.519 -0.287 0.000 1.162 566 W CA -1.083 56.059 57.345 -0.339 0.000 1.085 566 W CB 1.042 29.942 29.460 -0.933 0.000 1.460 566 W HN -0.331 nan 8.180 nan 0.000 0.584 567 N N 1.273 120.070 118.700 0.162 0.000 2.453 567 N HA 0.116 4.856 4.740 0.000 0.000 0.270 567 N C -1.445 174.187 175.510 0.203 0.000 1.195 567 N CA -0.030 53.097 53.050 0.128 0.000 0.902 567 N CB 0.294 38.868 38.487 0.146 0.000 1.186 567 N HN 0.396 nan 8.380 nan 0.000 0.510 568 Y N -2.077 118.339 120.300 0.194 0.000 2.605 568 Y HA 0.548 5.098 4.550 -0.000 0.000 0.343 568 Y C 0.590 176.560 175.900 0.117 0.000 1.036 568 Y CA -1.238 56.936 58.100 0.122 0.000 1.065 568 Y CB 0.243 38.754 38.460 0.086 0.000 1.288 568 Y HN -0.154 nan 8.280 nan 0.000 0.481 569 T N -1.808 112.903 114.554 0.261 0.000 2.814 569 T HA 0.196 4.546 4.350 0.000 0.000 0.284 569 T C 0.473 175.329 174.700 0.260 0.000 0.998 569 T CA -0.163 62.035 62.100 0.162 0.000 0.935 569 T CB 0.641 69.552 68.868 0.071 0.000 1.167 569 T HN 0.788 nan 8.240 nan 0.000 0.545 570 F N -0.315 119.670 119.950 0.057 0.000 2.113 570 F HA 0.050 4.577 4.527 -0.000 0.000 0.297 570 F C 2.253 178.135 175.800 0.137 0.000 1.103 570 F CA 1.285 59.349 58.000 0.106 0.000 1.248 570 F CB -0.286 38.735 39.000 0.035 0.000 0.999 570 F HN 0.729 nan 8.300 nan 0.000 0.475 571 W N 1.537 122.723 121.300 -0.191 0.000 2.338 571 W HA -0.275 4.385 4.660 0.000 0.000 0.304 571 W C 2.143 178.587 176.519 -0.126 0.000 1.212 571 W CA 1.963 59.116 57.345 -0.319 0.000 1.264 571 W CB -0.716 28.355 29.460 -0.648 0.000 1.142 571 W HN 0.193 nan 8.180 nan 0.000 0.512 572 Q N -0.442 119.288 119.800 -0.116 0.000 2.062 572 Q HA -0.290 4.050 4.340 0.000 0.000 0.209 572 Q C 1.896 177.673 176.000 -0.372 0.000 0.996 572 Q CA 3.214 58.895 55.803 -0.203 0.000 0.859 572 Q CB -1.094 27.670 28.738 0.043 0.000 0.920 572 Q HN 0.402 nan 8.270 nan 0.000 0.415 573 W N -0.177 120.880 121.300 -0.404 0.000 2.304 573 W HA -0.285 4.374 4.660 -0.000 0.000 0.328 573 W C 1.973 178.180 176.519 -0.519 0.000 1.242 573 W CA 1.993 59.035 57.345 -0.505 0.000 1.243 573 W CB -0.876 28.387 29.460 -0.329 0.000 1.170 573 W HN 0.210 nan 8.180 nan 0.000 0.460 574 F N 1.297 120.992 119.950 -0.425 0.000 2.192 574 F HA -0.298 4.229 4.527 0.000 0.000 0.301 574 F C 2.282 177.641 175.800 -0.735 0.000 1.079 574 F CA 2.389 60.118 58.000 -0.452 0.000 1.303 574 F CB -0.646 38.135 39.000 -0.365 0.000 1.024 574 F HN -0.078 nan 8.300 nan 0.000 0.494 575 D N 0.000 119.817 120.400 -0.972 0.000 2.077 575 D HA -0.160 4.480 4.640 0.000 0.000 0.193 575 D C 2.473 178.289 176.300 -0.807 0.000 0.989 575 D CA 1.769 55.129 54.000 -1.066 0.000 0.831 575 D CB -1.068 39.005 40.800 -1.211 0.000 0.979 575 D HN 0.301 nan 8.370 nan 0.000 0.449 576 G N 0.275 108.592 108.800 -0.806 0.000 2.499 576 G HA2 -0.204 3.756 3.960 0.000 0.000 0.221 576 G HA3 -0.204 3.756 3.960 0.000 0.000 0.221 576 G C 1.911 176.375 174.900 -0.725 0.000 1.109 576 G CA 1.148 45.825 45.100 -0.705 0.000 0.749 576 G HN 0.317 nan 8.290 nan 0.000 0.568 577 V N 1.048 120.385 119.914 -0.961 0.000 2.223 577 V HA -0.229 3.891 4.120 0.000 0.000 0.244 577 V C 2.873 178.542 176.094 -0.709 0.000 1.045 577 V CA 2.256 63.906 62.300 -1.083 0.000 1.000 577 V CB -0.547 30.433 31.823 -1.405 0.000 0.635 577 V HN 0.379 nan 8.190 nan 0.000 0.445 578 M N -0.652 118.568 119.600 -0.634 0.000 2.106 578 M HA -0.261 4.219 4.480 0.000 0.000 0.259 578 M C 2.202 178.299 176.300 -0.340 0.000 1.068 578 M CA 2.005 57.023 55.300 -0.470 0.000 1.100 578 M CB -0.492 31.866 32.600 -0.404 0.000 1.351 578 M HN 0.316 nan 8.290 nan 0.000 0.404 579 E N 0.149 120.155 120.200 -0.323 0.000 2.007 579 E HA -0.154 4.196 4.350 0.000 0.000 0.194 579 E C 1.938 178.477 176.600 -0.103 0.000 0.999 579 E CA 1.895 58.183 56.400 -0.186 0.000 0.811 579 E CB -0.404 29.190 29.700 -0.176 0.000 0.762 579 E HN 0.450 nan 8.360 nan 0.000 0.450 580 V N -0.359 119.511 119.914 -0.073 0.000 2.392 580 V HA -0.252 3.868 4.120 0.000 0.000 0.249 580 V C 2.349 178.593 176.094 0.249 0.000 1.059 580 V CA 1.637 64.037 62.300 0.167 0.000 1.051 580 V CB -0.887 31.077 31.823 0.236 0.000 0.658 580 V HN 0.190 nan 8.190 nan 0.000 0.455 581 L N 0.902 122.167 121.223 0.069 0.000 1.961 581 L HA -0.198 4.142 4.340 0.000 0.000 0.210 581 L C 2.829 179.696 176.870 -0.004 0.000 1.072 581 L CA 2.625 57.524 54.840 0.099 0.000 0.749 581 L CB -0.522 41.472 42.059 -0.108 0.000 0.889 581 L HN 0.507 nan 8.230 nan 0.000 0.432 582 K N -0.071 120.246 120.400 -0.138 0.000 2.442 582 K HA -0.180 4.140 4.320 0.000 0.000 0.198 582 K C 1.776 178.283 176.600 -0.156 0.000 1.042 582 K CA 1.240 57.431 56.287 -0.159 0.000 0.958 582 K CB -0.132 32.252 32.500 -0.193 0.000 0.766 582 K HN 0.093 nan 8.250 nan 0.000 0.474 583 K N -0.542 119.771 120.400 -0.145 0.000 2.098 583 K HA 0.002 4.322 4.320 0.000 0.000 0.203 583 K C 0.870 177.143 176.600 -0.546 0.000 1.051 583 K CA 1.263 57.368 56.287 -0.303 0.000 0.957 583 K CB 0.101 32.466 32.500 -0.226 0.000 0.738 583 K HN 0.443 nan 8.250 nan 0.000 0.447 584 H N -2.943 115.944 119.070 -0.304 0.000 3.436 584 H HA 0.229 4.785 4.556 0.000 0.000 0.244 584 H C 0.239 175.179 175.328 -0.646 0.000 1.009 584 H CA 0.022 55.720 56.048 -0.583 0.000 1.129 584 H CB 0.788 29.973 29.762 -0.961 0.000 1.473 584 H HN 0.149 nan 8.280 nan 0.000 0.510 585 H N 0.552 119.663 119.070 0.068 0.000 2.512 585 H HA 0.252 4.808 4.556 -0.000 0.000 0.276 585 H C 0.837 176.188 175.328 0.038 0.000 1.126 585 H CA -0.080 56.067 56.048 0.166 0.000 1.060 585 H CB 0.748 30.660 29.762 0.250 0.000 1.646 585 H HN 0.259 nan 8.280 nan 0.000 0.571 586 K N 0.983 121.366 120.400 -0.028 0.000 2.020 586 K HA -0.119 4.201 4.320 0.000 0.000 0.212 586 K C -0.738 175.839 176.600 -0.039 0.000 1.050 586 K CA 1.560 57.825 56.287 -0.037 0.000 0.929 586 K CB -0.903 31.537 32.500 -0.099 0.000 0.714 586 K HN 0.244 nan 8.250 nan 0.000 0.443 587 P HA -0.140 nan 4.420 nan 0.000 0.214 587 P C 0.775 177.967 177.300 -0.179 0.000 1.162 587 P CA 1.436 64.395 63.100 -0.235 0.000 0.879 587 P CB -0.146 31.278 31.700 -0.460 0.000 0.786 588 H N -3.362 115.625 119.070 -0.137 0.000 2.496 588 H HA -0.180 4.376 4.556 -0.000 0.000 0.296 588 H C 1.800 177.136 175.328 0.012 0.000 1.107 588 H CA 1.028 57.018 56.048 -0.096 0.000 1.263 588 H CB -0.714 29.033 29.762 -0.024 0.000 1.369 588 H HN 0.242 nan 8.280 nan 0.000 0.541 589 W N 2.188 123.540 121.300 0.087 0.000 2.418 589 W HA -0.140 4.520 4.660 0.000 0.000 0.319 589 W C 2.384 178.959 176.519 0.093 0.000 1.183 589 W CA 1.631 59.045 57.345 0.114 0.000 1.327 589 W CB -0.137 29.401 29.460 0.129 0.000 1.163 589 W HN 0.253 nan 8.180 nan 0.000 0.479 590 N N -0.169 118.724 118.700 0.322 0.000 2.309 590 N HA -0.184 4.556 4.740 0.000 0.000 0.182 590 N C 1.120 176.669 175.510 0.065 0.000 1.018 590 N CA 1.546 54.717 53.050 0.203 0.000 0.876 590 N CB -0.978 37.620 38.487 0.185 0.000 0.972 590 N HN 0.129 nan 8.380 nan 0.000 0.434 591 D N 0.738 121.164 120.400 0.043 0.000 2.149 591 D HA -0.126 4.514 4.640 0.000 0.000 0.194 591 D C 1.431 177.692 176.300 -0.066 0.000 1.001 591 D CA 2.633 56.631 54.000 -0.003 0.000 0.849 591 D CB -0.476 40.328 40.800 0.006 0.000 0.939 591 D HN 0.604 nan 8.370 nan 0.000 0.449 592 G N -1.729 106.997 108.800 -0.124 0.000 2.184 592 G HA2 -0.212 3.748 3.960 0.000 0.000 0.206 592 G HA3 -0.212 3.748 3.960 0.000 0.000 0.206 592 G C 1.186 175.955 174.900 -0.218 0.000 0.995 592 G CA 0.640 45.617 45.100 -0.206 0.000 0.651 592 G HN 0.586 nan 8.290 nan 0.000 0.511 593 A N -0.337 122.380 122.820 -0.171 0.000 2.019 593 A HA 0.457 4.777 4.320 0.000 0.000 0.219 593 A C 1.354 178.907 177.584 -0.052 0.000 1.164 593 A CA 1.727 53.695 52.037 -0.114 0.000 0.644 593 A CB -0.091 18.799 19.000 -0.183 0.000 0.805 593 A HN 1.630 nan 8.150 nan 0.000 0.449 594 I N -1.406 119.058 120.570 -0.177 0.000 2.390 594 I HA 0.432 4.602 4.170 0.000 0.000 0.283 594 I C 0.550 176.450 176.117 -0.360 0.000 1.016 594 I CA -0.702 60.473 61.300 -0.209 0.000 1.151 594 I CB 1.236 39.161 38.000 -0.124 0.000 1.293 594 I HN 0.041 nan 8.210 nan 0.000 0.458 595 L N 7.678 128.729 121.223 -0.286 0.000 2.017 595 L HA 0.225 4.565 4.340 0.000 0.000 0.208 595 L C 1.842 178.514 176.870 -0.331 0.000 1.073 595 L CA 2.479 57.163 54.840 -0.260 0.000 0.745 595 L CB -0.858 41.082 42.059 -0.198 0.000 0.894 595 L HN 0.985 nan 8.230 nan 0.000 0.432 596 G N -1.479 106.955 108.800 -0.611 0.000 3.444 596 G HA2 -0.369 3.591 3.960 0.000 0.000 0.222 596 G HA3 -0.369 3.591 3.960 0.000 0.000 0.222 596 G C 0.534 174.865 174.900 -0.948 0.000 1.358 596 G CA 0.389 44.702 45.100 -1.312 0.000 0.880 596 G HN 0.279 nan 8.290 nan 0.000 0.555 597 F N 1.790 121.578 119.950 -0.270 0.000 2.509 597 F HA 0.672 5.199 4.527 0.000 0.000 0.344 597 F C 0.312 175.594 175.800 -0.864 0.000 1.197 597 F CA -0.424 57.155 58.000 -0.703 0.000 1.294 597 F CB 1.163 40.075 39.000 -0.146 0.000 1.643 597 F HN 0.153 nan 8.300 nan 0.000 0.596 598 V N 1.799 121.268 119.914 -0.742 0.000 2.969 598 V HA 0.262 4.382 4.120 0.000 0.000 0.304 598 V C -0.685 175.439 176.094 0.050 0.000 1.192 598 V CA -1.266 60.925 62.300 -0.181 0.000 0.962 598 V CB 2.531 34.260 31.823 -0.156 0.000 1.045 598 V HN 0.584 nan 8.190 nan 0.000 0.428 599 N N 2.491 121.343 118.700 0.254 0.000 2.489 599 N HA 0.334 5.074 4.740 0.000 0.000 0.284 599 N C 0.612 176.211 175.510 0.148 0.000 1.158 599 N CA -0.749 52.462 53.050 0.268 0.000 0.965 599 N CB 2.027 40.681 38.487 0.278 0.000 1.195 599 N HN 0.489 nan 8.380 nan 0.000 0.506 600 K N 0.801 121.284 120.400 0.138 0.000 2.107 600 K HA -0.333 3.987 4.320 0.000 0.000 0.211 600 K C 2.040 178.695 176.600 0.091 0.000 1.049 600 K CA 2.023 58.369 56.287 0.098 0.000 0.927 600 K CB -0.359 32.194 32.500 0.090 0.000 0.714 600 K HN 0.670 nan 8.250 nan 0.000 0.452 601 Q N 0.581 120.430 119.800 0.082 0.000 2.020 601 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 601 Q C 2.091 178.155 176.000 0.106 0.000 0.982 601 Q CA 2.138 57.982 55.803 0.068 0.000 0.838 601 Q CB -0.321 28.438 28.738 0.036 0.000 0.899 601 Q HN 0.562 nan 8.270 nan 0.000 0.423 602 Q N -0.542 119.312 119.800 0.091 0.000 2.135 602 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 602 Q C 2.029 178.036 176.000 0.013 0.000 0.981 602 Q CA 1.593 57.433 55.803 0.061 0.000 0.856 602 Q CB -0.375 28.401 28.738 0.062 0.000 0.902 602 Q HN 0.528 nan 8.270 nan 0.000 0.425 603 A N 0.810 123.638 122.820 0.014 0.000 1.883 603 A HA -0.287 4.033 4.320 0.000 0.000 0.217 603 A C 1.990 179.583 177.584 0.016 0.000 1.186 603 A CA 1.863 53.887 52.037 -0.020 0.000 0.624 603 A CB -0.989 18.018 19.000 0.013 0.000 0.822 603 A HN 0.527 nan 8.150 nan 0.000 0.444 604 H N 0.368 119.425 119.070 -0.023 0.000 2.319 604 H HA -0.147 4.409 4.556 0.000 0.000 0.299 604 H C 1.374 176.697 175.328 -0.008 0.000 1.092 604 H CA 2.032 58.067 56.048 -0.021 0.000 1.302 604 H CB -0.196 29.551 29.762 -0.026 0.000 1.373 604 H HN 0.460 nan 8.280 nan 0.000 0.497 605 D N 1.061 121.545 120.400 0.140 0.000 2.097 605 D HA -0.112 4.528 4.640 0.000 0.000 0.197 605 D C 2.575 178.887 176.300 0.020 0.000 0.984 605 D CA 0.758 54.812 54.000 0.089 0.000 0.826 605 D CB -0.349 40.519 40.800 0.113 0.000 0.973 605 D HN 0.400 nan 8.370 nan 0.000 0.460 606 L N 0.130 121.350 121.223 -0.005 0.000 2.265 606 L HA -0.076 4.264 4.340 0.000 0.000 0.215 606 L C 2.285 179.237 176.870 0.136 0.000 1.117 606 L CA 0.629 55.473 54.840 0.008 0.000 0.782 606 L CB -0.231 41.652 42.059 -0.293 0.000 0.914 606 L HN 0.026 nan 8.230 nan 0.000 0.441 607 L N -0.698 120.553 121.223 0.046 0.000 2.500 607 L HA 0.043 4.383 4.340 0.000 0.000 0.219 607 L C 2.475 179.358 176.870 0.021 0.000 1.057 607 L CA 0.104 54.999 54.840 0.092 0.000 0.854 607 L CB 0.018 42.114 42.059 0.062 0.000 1.078 607 L HN 0.142 nan 8.230 nan 0.000 0.480 608 I N -0.075 120.439 120.570 -0.094 0.000 2.113 608 I HA -0.347 3.823 4.170 0.000 0.000 0.242 608 I C 1.671 177.762 176.117 -0.044 0.000 1.064 608 I CA 2.390 63.607 61.300 -0.138 0.000 1.320 608 I CB -0.898 36.956 38.000 -0.243 0.000 1.028 608 I HN 0.472 nan 8.210 nan 0.000 0.406 609 N N 1.128 119.823 118.700 -0.008 0.000 2.370 609 N HA 0.036 4.776 4.740 0.000 0.000 0.198 609 N C 0.143 175.669 175.510 0.026 0.000 1.156 609 N CA -0.072 52.983 53.050 0.010 0.000 0.839 609 N CB 0.148 38.645 38.487 0.017 0.000 0.989 609 N HN 0.349 nan 8.380 nan 0.000 0.468 610 K N 1.636 122.064 120.400 0.046 0.000 2.098 610 K HA 0.414 4.734 4.320 0.000 0.000 0.244 610 K C -2.225 174.407 176.600 0.053 0.000 1.014 610 K CA -2.014 54.313 56.287 0.067 0.000 0.917 610 K CB 0.206 32.782 32.500 0.126 0.000 1.072 610 K HN -0.028 nan 8.250 nan 0.000 0.477 611 P HA 0.011 nan 4.420 nan 0.000 0.271 611 P C -0.628 176.651 177.300 -0.035 0.000 1.233 611 P CA -0.113 63.027 63.100 0.068 0.000 0.789 611 P CB 0.318 32.162 31.700 0.239 0.000 0.951 612 D N 0.710 120.978 120.400 -0.219 0.000 2.349 612 D HA 0.301 4.941 4.640 0.000 0.000 0.266 612 D C 1.426 177.486 176.300 -0.399 0.000 1.293 612 D CA 1.495 55.135 54.000 -0.599 0.000 0.926 612 D CB -0.361 39.713 40.800 -1.210 0.000 1.090 612 D HN 0.630 nan 8.370 nan 0.000 0.502 613 G N 2.223 111.000 108.800 -0.038 0.000 2.255 613 G HA2 -0.233 3.727 3.960 0.000 0.000 0.196 613 G HA3 -0.233 3.727 3.960 0.000 0.000 0.196 613 G C 0.625 175.719 174.900 0.324 0.000 0.998 613 G CA -0.135 45.129 45.100 0.273 0.000 0.656 613 G HN 0.524 nan 8.290 nan 0.000 0.490 614 T N 2.068 116.744 114.554 0.204 0.000 2.891 614 T HA 0.427 4.777 4.350 0.000 0.000 0.296 614 T C 0.026 174.998 174.700 0.453 0.000 1.025 614 T CA 1.364 63.633 62.100 0.281 0.000 1.149 614 T CB 0.018 69.035 68.868 0.248 0.000 1.007 614 T HN 1.192 nan 8.240 nan 0.000 0.528 615 F N 1.723 121.862 119.950 0.315 0.000 2.754 615 F HA 0.822 5.349 4.527 -0.000 0.000 0.320 615 F C -1.658 174.298 175.800 0.261 0.000 1.156 615 F CA -1.819 56.371 58.000 0.317 0.000 0.950 615 F CB 1.010 40.213 39.000 0.338 0.000 1.388 615 F HN 0.455 nan 8.300 nan 0.000 0.485 616 L N -0.179 121.285 121.223 0.402 0.000 2.502 616 L HA 0.787 5.127 4.340 0.000 0.000 0.253 616 L C -1.947 175.068 176.870 0.241 0.000 1.070 616 L CA -1.344 53.613 54.840 0.195 0.000 0.871 616 L CB 1.802 43.838 42.059 -0.038 0.000 1.487 616 L HN 0.772 nan 8.230 nan 0.000 0.408 617 L N 1.210 122.474 121.223 0.069 0.000 2.322 617 L HA 0.751 5.091 4.340 0.000 0.000 0.281 617 L C -0.311 176.403 176.870 -0.260 0.000 1.014 617 L CA -0.520 54.298 54.840 -0.037 0.000 0.815 617 L CB 1.767 43.803 42.059 -0.038 0.000 1.247 617 L HN 0.704 nan 8.230 nan 0.000 0.421 618 R N 2.514 122.856 120.500 -0.263 0.000 2.575 618 R HA 0.458 4.798 4.340 0.000 0.000 0.293 618 R C -1.286 174.847 176.300 -0.279 0.000 0.983 618 R CA -0.636 55.269 56.100 -0.325 0.000 0.887 618 R CB 1.577 31.809 30.300 -0.114 0.000 1.184 618 R HN 0.388 nan 8.270 nan 0.000 0.445 619 F N 2.362 122.265 119.950 -0.078 0.000 2.494 619 F HA 0.072 4.599 4.527 0.000 0.000 0.369 619 F C 0.751 176.689 175.800 0.229 0.000 1.098 619 F CA 0.009 58.002 58.000 -0.011 0.000 1.154 619 F CB 1.005 39.937 39.000 -0.112 0.000 1.103 619 F HN 0.350 nan 8.300 nan 0.000 0.549 620 S N 4.027 119.885 115.700 0.263 0.000 2.465 620 S HA -0.048 4.422 4.470 0.000 0.000 0.307 620 S C 1.022 175.772 174.600 0.250 0.000 1.187 620 S CA -0.604 57.707 58.200 0.185 0.000 1.141 620 S CB 0.003 63.224 63.200 0.036 0.000 1.108 620 S HN 0.605 nan 8.310 nan 0.000 0.525 621 D N 3.040 123.625 120.400 0.308 0.000 2.219 621 D HA -0.113 4.527 4.640 0.000 0.000 0.205 621 D C 1.485 177.484 176.300 -0.502 0.000 0.970 621 D CA 0.602 54.607 54.000 0.008 0.000 0.851 621 D CB -0.352 40.370 40.800 -0.131 0.000 0.943 621 D HN 0.498 nan 8.370 nan 0.000 0.488 622 S N 0.541 116.168 115.700 -0.121 0.000 2.426 622 S HA -0.267 4.203 4.470 0.000 0.000 0.253 622 S C 0.970 175.498 174.600 -0.120 0.000 1.104 622 S CA 2.123 60.316 58.200 -0.013 0.000 1.158 622 S CB -0.370 62.869 63.200 0.064 0.000 1.043 622 S HN 0.619 nan 8.310 nan 0.000 0.443 623 E N -1.304 118.797 120.200 -0.164 0.000 2.380 623 E HA 0.338 4.688 4.350 0.000 0.000 0.281 623 E C 0.506 176.969 176.600 -0.228 0.000 0.999 623 E CA -0.580 55.740 56.400 -0.133 0.000 0.800 623 E CB 0.201 29.865 29.700 -0.060 0.000 1.228 623 E HN -0.077 nan 8.360 nan 0.000 0.436 624 I N 1.511 121.955 120.570 -0.210 0.000 2.381 624 I HA 0.007 4.177 4.170 0.000 0.000 0.255 624 I C 1.168 177.030 176.117 -0.424 0.000 1.140 624 I CA 1.900 63.015 61.300 -0.309 0.000 1.404 624 I CB -1.344 36.567 38.000 -0.148 0.000 1.075 624 I HN 0.631 nan 8.210 nan 0.000 0.433 625 G N 0.529 109.121 108.800 -0.346 0.000 5.114 625 G HA2 0.504 4.464 3.960 0.000 0.000 0.209 625 G HA3 0.504 4.464 3.960 0.000 0.000 0.209 625 G C -0.060 174.689 174.900 -0.251 0.000 1.021 625 G CA 0.156 45.011 45.100 -0.408 0.000 0.608 625 G HN 0.540 nan 8.290 nan 0.000 0.360 626 G N -0.236 108.444 108.800 -0.201 0.000 2.816 626 G HA2 0.725 4.685 3.960 0.000 0.000 0.288 626 G HA3 0.725 4.685 3.960 0.000 0.000 0.288 626 G C -1.133 173.801 174.900 0.057 0.000 1.334 626 G CA -1.007 44.070 45.100 -0.039 0.000 0.978 626 G HN 0.349 nan 8.290 nan 0.000 0.493 627 I N 1.216 121.858 120.570 0.120 0.000 2.439 627 I HA 0.287 4.457 4.170 0.000 0.000 0.285 627 I C 0.235 176.361 176.117 0.015 0.000 1.021 627 I CA -0.686 60.671 61.300 0.097 0.000 1.091 627 I CB 2.216 40.280 38.000 0.108 0.000 1.242 627 I HN 0.541 nan 8.210 nan 0.000 0.439 628 T N 4.040 118.579 114.554 -0.025 0.000 2.889 628 T HA 0.627 4.977 4.350 0.000 0.000 0.291 628 T C -0.164 174.544 174.700 0.014 0.000 0.995 628 T CA -0.529 61.535 62.100 -0.059 0.000 1.092 628 T CB 1.146 70.004 68.868 -0.016 0.000 0.954 628 T HN 0.299 nan 8.240 nan 0.000 0.506 629 I N 2.393 122.991 120.570 0.046 0.000 2.312 629 I HA 0.483 4.653 4.170 0.000 0.000 0.291 629 I C 0.567 176.874 176.117 0.317 0.000 1.031 629 I CA -0.663 60.740 61.300 0.172 0.000 1.293 629 I CB 0.802 38.875 38.000 0.121 0.000 1.403 629 I HN 0.855 nan 8.210 nan 0.000 0.484 630 A N 7.400 130.412 122.820 0.320 0.000 2.288 630 A HA 0.683 5.003 4.320 0.000 0.000 0.320 630 A C -0.894 177.003 177.584 0.521 0.000 1.217 630 A CA -0.466 51.762 52.037 0.317 0.000 0.840 630 A CB 0.413 19.502 19.000 0.149 0.000 1.179 630 A HN 0.868 nan 8.150 nan 0.000 0.504 631 W N 2.352 123.830 121.300 0.297 0.000 3.307 631 W HA 0.817 5.477 4.660 -0.000 0.000 0.325 631 W C -0.684 176.044 176.519 0.349 0.000 1.255 631 W CA -0.960 56.608 57.345 0.371 0.000 1.006 631 W CB 1.208 30.903 29.460 0.392 0.000 1.608 631 W HN 0.545 nan 8.180 nan 0.000 0.620 632 K N 1.885 122.544 120.400 0.431 0.000 2.601 632 K HA 0.382 4.702 4.320 0.000 0.000 0.249 632 K C -2.486 174.351 176.600 0.395 0.000 0.966 632 K CA -0.473 55.971 56.287 0.262 0.000 0.827 632 K CB 1.434 34.017 32.500 0.139 0.000 1.178 632 K HN 0.622 nan 8.250 nan 0.000 0.437 633 F N 2.119 122.322 119.950 0.422 0.000 2.538 633 F HA 0.241 4.768 4.527 -0.000 0.000 0.325 633 F C 1.290 177.284 175.800 0.323 0.000 1.066 633 F CA -0.401 57.789 58.000 0.316 0.000 0.946 633 F CB 1.836 40.941 39.000 0.175 0.000 1.199 633 F HN 0.616 nan 8.300 nan 0.000 0.473 634 D N 0.508 121.107 120.400 0.331 0.000 2.219 634 D HA -0.121 4.519 4.640 0.000 0.000 0.205 634 D C 1.005 177.442 176.300 0.228 0.000 0.970 634 D CA 1.088 55.203 54.000 0.190 0.000 0.851 634 D CB 0.179 41.026 40.800 0.078 0.000 0.943 634 D HN 0.199 nan 8.370 nan 0.000 0.488 635 S N 0.726 116.626 115.700 0.333 0.000 3.812 635 S HA 0.171 4.641 4.470 0.000 0.000 0.195 635 S C -1.720 173.042 174.600 0.270 0.000 1.460 635 S CA -1.361 56.990 58.200 0.253 0.000 1.052 635 S CB 0.325 63.661 63.200 0.228 0.000 1.385 635 S HN 0.056 nan 8.310 nan 0.000 0.490 636 P HA 0.480 nan 4.420 nan 0.000 0.193 636 P C -0.342 176.623 177.300 -0.559 0.000 1.168 636 P CA 0.400 63.360 63.100 -0.233 0.000 0.844 636 P CB 0.458 32.062 31.700 -0.160 0.000 0.699 637 D N -4.124 116.051 120.400 -0.375 0.000 3.122 637 D HA 0.023 4.663 4.640 0.000 0.000 0.304 637 D C 0.506 176.720 176.300 -0.144 0.000 1.162 637 D CA -0.572 53.266 54.000 -0.269 0.000 0.715 637 D CB 0.258 40.841 40.800 -0.361 0.000 1.299 637 D HN -0.248 nan 8.370 nan 0.000 0.465 638 R N 0.235 120.680 120.500 -0.090 0.000 2.193 638 R HA 0.074 4.414 4.340 0.000 0.000 0.213 638 R C 0.628 176.887 176.300 -0.069 0.000 1.055 638 R CA 0.597 56.678 56.100 -0.031 0.000 0.995 638 R CB -0.696 29.559 30.300 -0.075 0.000 0.893 638 R HN 0.192 nan 8.270 nan 0.000 0.459 639 N N 1.435 120.050 118.700 -0.142 0.000 3.229 639 N HA 0.090 4.830 4.740 0.000 0.000 0.275 639 N C -0.733 174.572 175.510 -0.342 0.000 1.225 639 N CA 0.006 52.947 53.050 -0.182 0.000 1.119 639 N CB -0.063 38.319 38.487 -0.175 0.000 1.392 639 N HN 0.108 nan 8.380 nan 0.000 0.520 640 L N 0.943 121.998 121.223 -0.280 0.000 2.436 640 L HA 0.286 4.626 4.340 0.000 0.000 0.265 640 L C -0.012 176.551 176.870 -0.512 0.000 1.168 640 L CA -0.795 53.768 54.840 -0.462 0.000 0.815 640 L CB 0.616 42.527 42.059 -0.246 0.000 1.109 640 L HN 0.461 nan 8.230 nan 0.000 0.462 641 W N 4.296 125.278 121.300 -0.529 0.000 2.797 641 W HA -0.016 4.644 4.660 -0.000 0.000 0.371 641 W C 0.121 176.004 176.519 -1.059 0.000 1.334 641 W CA -0.202 56.477 57.345 -1.109 0.000 1.333 641 W CB -0.649 27.601 29.460 -2.017 0.000 1.445 641 W HN 0.499 nan 8.180 nan 0.000 0.579 642 N N 3.675 122.154 118.700 -0.367 0.000 2.336 642 N HA 0.579 5.319 4.740 0.000 0.000 0.290 642 N C -1.264 174.328 175.510 0.136 0.000 1.058 642 N CA -1.117 51.925 53.050 -0.014 0.000 0.865 642 N CB 1.224 39.726 38.487 0.024 0.000 1.581 642 N HN 0.327 nan 8.380 nan 0.000 0.480 643 L N -1.197 120.221 121.223 0.324 0.000 2.352 643 L HA 0.688 5.028 4.340 0.000 0.000 0.269 643 L C -0.145 176.702 176.870 -0.038 0.000 1.034 643 L CA -1.157 53.794 54.840 0.185 0.000 0.806 643 L CB 1.076 43.293 42.059 0.262 0.000 1.244 643 L HN 0.393 nan 8.230 nan 0.000 0.447 644 K N 1.377 121.722 120.400 -0.092 0.000 2.319 644 K HA 0.267 4.587 4.320 0.000 0.000 0.265 644 K C -2.252 174.137 176.600 -0.353 0.000 1.000 644 K CA -0.988 55.214 56.287 -0.142 0.000 0.943 644 K CB 0.041 32.499 32.500 -0.071 0.000 0.950 644 K HN 0.495 nan 8.250 nan 0.000 0.485 645 P HA -0.023 nan 4.420 nan 0.000 0.269 645 P C -0.952 176.103 177.300 -0.409 0.000 1.215 645 P CA 0.315 63.231 63.100 -0.307 0.000 0.780 645 P CB 0.356 31.976 31.700 -0.133 0.000 0.898 646 F N 0.096 119.937 119.950 -0.181 0.000 2.458 646 F HA 0.387 4.914 4.527 -0.000 0.000 0.336 646 F C 1.385 176.893 175.800 -0.486 0.000 1.114 646 F CA -0.609 57.122 58.000 -0.448 0.000 0.987 646 F CB 1.631 40.153 39.000 -0.796 0.000 1.130 646 F HN 0.230 nan 8.300 nan 0.000 0.458 647 T N -1.468 112.945 114.554 -0.235 0.000 2.893 647 T HA 0.134 4.484 4.350 0.000 0.000 0.279 647 T C 1.246 175.830 174.700 -0.193 0.000 0.991 647 T CA -0.219 61.792 62.100 -0.149 0.000 0.950 647 T CB 1.511 70.328 68.868 -0.085 0.000 1.223 647 T HN 0.589 nan 8.240 nan 0.000 0.585 648 T N -0.421 114.140 114.554 0.012 0.000 2.721 648 T HA -0.159 4.191 4.350 0.000 0.000 0.268 648 T C 2.064 176.762 174.700 -0.003 0.000 1.038 648 T CA 1.968 64.128 62.100 0.100 0.000 1.145 648 T CB -0.534 68.468 68.868 0.222 0.000 0.858 648 T HN 0.597 nan 8.240 nan 0.000 0.459 649 R N 0.330 120.804 120.500 -0.043 0.000 2.113 649 R HA -0.125 4.215 4.340 0.000 0.000 0.231 649 R C 2.219 178.449 176.300 -0.117 0.000 1.129 649 R CA 2.507 58.578 56.100 -0.048 0.000 0.915 649 R CB -0.539 29.732 30.300 -0.048 0.000 0.837 649 R HN 0.491 nan 8.270 nan 0.000 0.430 650 D N -0.369 119.894 120.400 -0.229 0.000 2.149 650 D HA -0.217 4.423 4.640 0.000 0.000 0.194 650 D C 1.639 177.736 176.300 -0.338 0.000 1.001 650 D CA 1.636 55.428 54.000 -0.348 0.000 0.849 650 D CB -0.293 40.199 40.800 -0.512 0.000 0.939 650 D HN 0.275 nan 8.370 nan 0.000 0.449 651 F N 0.526 120.330 119.950 -0.244 0.000 2.407 651 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 651 F C 2.448 178.111 175.800 -0.228 0.000 1.097 651 F CA 0.123 57.913 58.000 -0.349 0.000 1.422 651 F CB 0.109 38.698 39.000 -0.685 0.000 1.067 651 F HN -0.107 nan 8.300 nan 0.000 0.539 652 S N 0.967 116.704 115.700 0.062 0.000 2.326 652 S HA -0.189 4.281 4.470 0.000 0.000 0.211 652 S C 2.006 176.637 174.600 0.051 0.000 1.031 652 S CA 1.001 59.279 58.200 0.129 0.000 0.985 652 S CB -0.666 62.617 63.200 0.139 0.000 0.961 652 S HN 0.373 nan 8.310 nan 0.000 0.436 653 I N 0.983 121.557 120.570 0.005 0.000 2.227 653 I HA -0.203 3.967 4.170 0.000 0.000 0.250 653 I C 0.841 176.940 176.117 -0.029 0.000 1.087 653 I CA 1.544 62.832 61.300 -0.020 0.000 1.352 653 I CB 0.111 38.087 38.000 -0.040 0.000 1.043 653 I HN 0.112 nan 8.210 nan 0.000 0.425 654 R N -0.290 120.186 120.500 -0.040 0.000 2.579 654 R HA 0.296 4.636 4.340 0.000 0.000 0.260 654 R C -0.706 175.607 176.300 0.021 0.000 1.103 654 R CA -0.036 56.046 56.100 -0.029 0.000 0.942 654 R CB 1.246 31.497 30.300 -0.082 0.000 1.251 654 R HN 0.247 nan 8.270 nan 0.000 0.450 655 S N 3.163 118.895 115.700 0.053 0.000 2.580 655 S HA 0.095 4.565 4.470 0.000 0.000 0.274 655 S C 1.219 175.864 174.600 0.076 0.000 1.329 655 S CA -0.696 57.557 58.200 0.088 0.000 1.036 655 S CB 1.348 64.598 63.200 0.084 0.000 0.919 655 S HN 0.657 nan 8.310 nan 0.000 0.515 656 L N 2.969 124.199 121.223 0.013 0.000 1.989 656 L HA -0.023 4.317 4.340 0.000 0.000 0.211 656 L C 2.620 179.429 176.870 -0.102 0.000 1.071 656 L CA 2.576 57.396 54.840 -0.034 0.000 0.749 656 L CB -1.405 40.458 42.059 -0.327 0.000 0.890 656 L HN 0.950 nan 8.230 nan 0.000 0.431 657 A N -0.530 122.261 122.820 -0.049 0.000 1.873 657 A HA -0.297 4.023 4.320 0.000 0.000 0.218 657 A C 2.064 179.738 177.584 0.151 0.000 1.193 657 A CA 2.220 54.286 52.037 0.049 0.000 0.629 657 A CB -1.130 18.107 19.000 0.396 0.000 0.826 657 A HN 0.627 nan 8.150 nan 0.000 0.447 658 D N -0.719 119.778 120.400 0.162 0.000 2.092 658 D HA -0.157 4.483 4.640 0.000 0.000 0.193 658 D C 2.195 178.459 176.300 -0.060 0.000 0.994 658 D CA 1.428 55.478 54.000 0.082 0.000 0.828 658 D CB -0.387 40.441 40.800 0.048 0.000 0.963 658 D HN 0.453 nan 8.370 nan 0.000 0.450 659 R N 0.126 120.571 120.500 -0.091 0.000 2.103 659 R HA -0.103 4.237 4.340 0.000 0.000 0.242 659 R C 2.599 178.778 176.300 -0.202 0.000 1.142 659 R CA 0.805 56.806 56.100 -0.165 0.000 0.960 659 R CB -0.353 29.812 30.300 -0.224 0.000 0.858 659 R HN 0.238 nan 8.270 nan 0.000 0.439 660 L N -0.995 120.087 121.223 -0.235 0.000 2.093 660 L HA -0.029 4.311 4.340 0.000 0.000 0.208 660 L C 2.482 179.159 176.870 -0.322 0.000 1.085 660 L CA 1.211 55.828 54.840 -0.372 0.000 0.755 660 L CB -0.562 41.153 42.059 -0.573 0.000 0.904 660 L HN 0.328 nan 8.230 nan 0.000 0.435 661 G N -0.752 107.937 108.800 -0.186 0.000 2.509 661 G HA2 -0.175 3.785 3.960 0.000 0.000 0.218 661 G HA3 -0.175 3.785 3.960 0.000 0.000 0.218 661 G C 1.062 175.756 174.900 -0.344 0.000 1.124 661 G CA 0.469 45.403 45.100 -0.277 0.000 0.776 661 G HN 0.308 nan 8.290 nan 0.000 0.547 662 D N 0.065 120.284 120.400 -0.301 0.000 2.305 662 D HA 0.063 4.703 4.640 0.000 0.000 0.206 662 D C 1.013 177.116 176.300 -0.327 0.000 0.974 662 D CA 0.166 54.002 54.000 -0.272 0.000 0.871 662 D CB 0.355 41.028 40.800 -0.211 0.000 0.947 662 D HN 0.250 nan 8.370 nan 0.000 0.516 663 L N 1.928 122.872 121.223 -0.464 0.000 2.265 663 L HA 0.270 4.610 4.340 0.000 0.000 0.288 663 L C 1.315 177.698 176.870 -0.813 0.000 1.058 663 L CA -0.473 53.900 54.840 -0.778 0.000 0.809 663 L CB 1.081 42.462 42.059 -1.130 0.000 1.179 663 L HN -0.221 nan 8.230 nan 0.000 0.429 664 N N 2.196 120.491 118.700 -0.675 0.000 2.290 664 N HA -0.144 4.596 4.740 0.000 0.000 0.179 664 N C 1.654 176.952 175.510 -0.354 0.000 1.016 664 N CA 1.109 53.927 53.050 -0.387 0.000 0.871 664 N CB 0.026 38.389 38.487 -0.206 0.000 0.987 664 N HN 0.711 nan 8.380 nan 0.000 0.431 665 Y N 1.017 121.117 120.300 -0.333 0.000 2.274 665 Y HA 0.068 4.618 4.550 -0.000 0.000 0.290 665 Y C 1.028 176.809 175.900 -0.198 0.000 1.145 665 Y CA 0.071 57.996 58.100 -0.291 0.000 1.203 665 Y CB -1.003 37.156 38.460 -0.501 0.000 0.984 665 Y HN -0.153 nan 8.280 nan 0.000 0.533 666 L N 1.625 122.462 121.223 -0.644 0.000 2.600 666 L HA 0.020 4.360 4.340 0.000 0.000 0.278 666 L C 0.626 177.467 176.870 -0.048 0.000 1.139 666 L CA 0.011 54.596 54.840 -0.425 0.000 0.933 666 L CB 0.259 41.713 42.059 -1.010 0.000 1.266 666 L HN 0.319 nan 8.230 nan 0.000 0.471 667 I N 3.124 123.783 120.570 0.149 0.000 2.899 667 I HA 0.081 4.251 4.170 0.000 0.000 0.257 667 I C -0.232 175.859 176.117 -0.043 0.000 1.115 667 I CA 0.423 61.678 61.300 -0.075 0.000 1.451 667 I CB 0.531 38.328 38.000 -0.338 0.000 1.251 667 I HN 0.386 nan 8.210 nan 0.000 0.456 668 Y N -1.069 119.373 120.300 0.236 0.000 2.534 668 Y HA 0.562 5.112 4.550 -0.000 0.000 0.345 668 Y C -0.386 175.316 175.900 -0.330 0.000 1.031 668 Y CA -2.283 55.844 58.100 0.045 0.000 1.022 668 Y CB 0.263 38.728 38.460 0.008 0.000 1.292 668 Y HN -0.173 nan 8.280 nan 0.000 0.459 669 V N 2.749 122.541 119.914 -0.203 0.000 2.555 669 V HA 0.193 4.313 4.120 0.000 0.000 0.286 669 V C 1.213 177.173 176.094 -0.222 0.000 1.044 669 V CA -0.424 61.559 62.300 -0.528 0.000 1.026 669 V CB 0.343 32.091 31.823 -0.124 0.000 0.981 669 V HN 0.935 nan 8.190 nan 0.000 0.480 670 F N 6.190 125.933 119.950 -0.345 0.000 2.659 670 F HA -0.260 4.267 4.527 0.000 0.000 0.288 670 F C -0.634 175.108 175.800 -0.095 0.000 1.265 670 F CA 3.502 61.404 58.000 -0.163 0.000 1.439 670 F CB -2.238 36.695 39.000 -0.112 0.000 0.807 670 F HN 0.585 nan 8.300 nan 0.000 0.572 671 P HA -0.183 nan 4.420 nan 0.000 0.219 671 P C 0.712 177.631 177.300 -0.635 0.000 1.158 671 P CA 3.152 65.659 63.100 -0.990 0.000 0.895 671 P CB -0.107 31.337 31.700 -0.427 0.000 0.792 672 D N -5.543 114.619 120.400 -0.397 0.000 1.520 672 D HA -0.056 4.584 4.640 0.000 0.000 0.776 672 D C 0.173 176.236 176.300 -0.395 0.000 0.570 672 D CA -0.154 53.629 54.000 -0.361 0.000 1.290 672 D CB -0.753 39.847 40.800 -0.334 0.000 1.181 672 D HN 0.174 nan 8.370 nan 0.000 0.425 673 R N 2.791 123.138 120.500 -0.256 0.000 2.537 673 R HA 0.311 4.651 4.340 0.000 0.000 0.281 673 R C -2.323 173.963 176.300 -0.024 0.000 0.988 673 R CA -0.710 55.289 56.100 -0.170 0.000 1.077 673 R CB -0.610 29.623 30.300 -0.112 0.000 0.932 673 R HN 0.032 nan 8.270 nan 0.000 0.409 674 P HA -0.032 nan 4.420 nan 0.000 0.272 674 P C -0.046 177.427 177.300 0.288 0.000 1.230 674 P CA -0.330 62.972 63.100 0.335 0.000 0.788 674 P CB 0.931 32.794 31.700 0.271 0.000 0.949 675 K N 1.496 122.111 120.400 0.359 0.000 1.965 675 K HA -0.212 4.108 4.320 0.000 0.000 0.218 675 K C 1.246 178.081 176.600 0.391 0.000 1.048 675 K CA 2.492 59.037 56.287 0.429 0.000 0.960 675 K CB -0.830 31.913 32.500 0.404 0.000 0.732 675 K HN 0.330 nan 8.250 nan 0.000 0.444 676 D N 0.582 121.181 120.400 0.331 0.000 2.347 676 D HA -0.280 4.360 4.640 0.000 0.000 0.189 676 D C 1.744 178.126 176.300 0.136 0.000 1.020 676 D CA 1.977 56.150 54.000 0.287 0.000 0.875 676 D CB -0.446 40.491 40.800 0.228 0.000 0.928 676 D HN 0.475 nan 8.370 nan 0.000 0.454 677 E N -0.105 120.160 120.200 0.108 0.000 2.068 677 E HA -0.223 4.127 4.350 0.000 0.000 0.207 677 E C 1.648 178.221 176.600 -0.045 0.000 1.032 677 E CA 1.581 57.994 56.400 0.022 0.000 0.839 677 E CB 0.019 29.733 29.700 0.023 0.000 0.758 677 E HN 0.161 nan 8.360 nan 0.000 0.457 678 V N -0.242 119.645 119.914 -0.046 0.000 3.623 678 V HA -0.003 4.117 4.120 0.000 0.000 0.271 678 V C 0.568 176.300 176.094 -0.604 0.000 1.248 678 V CA 0.807 62.935 62.300 -0.287 0.000 1.156 678 V CB -0.144 31.481 31.823 -0.330 0.000 0.870 678 V HN 0.286 nan 8.190 nan 0.000 0.453 679 F N -1.196 118.738 119.950 -0.027 0.000 2.876 679 F HA 0.415 4.942 4.527 -0.000 0.000 0.344 679 F C 2.100 177.478 175.800 -0.704 0.000 1.029 679 F CA 0.519 58.442 58.000 -0.129 0.000 1.154 679 F CB -0.229 38.706 39.000 -0.108 0.000 1.040 679 F HN -0.016 nan 8.300 nan 0.000 0.576 680 A N 0.572 123.039 122.820 -0.588 0.000 2.076 680 A HA -0.223 4.097 4.320 0.000 0.000 0.220 680 A C 2.223 179.578 177.584 -0.383 0.000 1.160 680 A CA 1.751 53.427 52.037 -0.601 0.000 0.653 680 A CB -0.608 18.348 19.000 -0.075 0.000 0.801 680 A HN 0.321 nan 8.150 nan 0.000 0.455 681 K N -1.406 118.698 120.400 -0.493 0.000 2.074 681 K HA -0.205 4.115 4.320 0.000 0.000 0.209 681 K C 0.990 177.265 176.600 -0.542 0.000 1.048 681 K CA 2.029 57.929 56.287 -0.645 0.000 0.926 681 K CB -0.245 31.552 32.500 -1.172 0.000 0.713 681 K HN 0.650 nan 8.250 nan 0.000 0.444 682 Y N -1.404 118.838 120.300 -0.097 0.000 2.458 682 Y HA 0.167 4.717 4.550 0.000 0.000 0.256 682 Y C -0.025 175.932 175.900 0.095 0.000 1.159 682 Y CA -0.658 57.454 58.100 0.021 0.000 1.261 682 Y CB -0.255 38.293 38.460 0.146 0.000 1.119 682 Y HN -0.059 nan 8.280 nan 0.000 0.524 683 Y N 0.562 120.977 120.300 0.193 0.000 2.578 683 Y HA 0.082 4.632 4.550 0.000 0.000 0.339 683 Y C 1.216 177.163 175.900 0.078 0.000 1.231 683 Y CA -0.102 58.069 58.100 0.118 0.000 1.461 683 Y CB 0.594 39.097 38.460 0.072 0.000 1.323 683 Y HN -0.171 nan 8.280 nan 0.000 0.590 684 T N 4.984 119.674 114.554 0.227 0.000 2.806 684 T HA 0.308 4.658 4.350 0.000 0.000 0.290 684 T C -1.772 172.978 174.700 0.084 0.000 0.966 684 T CA -1.610 60.565 62.100 0.125 0.000 1.060 684 T CB 0.369 69.288 68.868 0.086 0.000 0.927 684 T HN 0.499 nan 8.240 nan 0.000 0.485 685 P HA 0.652 nan 4.420 nan 0.000 0.328 685 P C -0.656 176.656 177.300 0.019 0.000 1.305 685 P CA -0.484 62.639 63.100 0.037 0.000 0.745 685 P CB 0.572 32.294 31.700 0.036 0.000 1.462 686 V N -2.344 117.575 119.914 0.010 0.000 4.537 686 V HA 0.232 4.352 4.120 0.000 0.000 0.308 686 V C 0.490 176.587 176.094 0.004 0.000 1.541 686 V CA -0.723 61.580 62.300 0.005 0.000 0.869 686 V CB -0.136 31.686 31.823 -0.001 0.000 1.211 686 V HN 0.185 nan 8.190 nan 0.000 0.463 687 L N 1.532 122.755 121.223 -0.000 0.000 3.035 687 L HA 0.657 4.997 4.340 0.000 0.000 0.232 687 L C 0.641 177.509 176.870 -0.004 0.000 1.341 687 L CA 0.342 55.181 54.840 -0.001 0.000 1.177 687 L CB -0.099 41.959 42.059 -0.002 0.000 1.555 687 L HN 0.681 nan 8.230 nan 0.000 0.473 688 A N -0.282 122.536 122.820 -0.004 0.000 2.529 688 A HA 0.628 4.948 4.320 0.000 0.000 0.269 688 A C 0.557 178.136 177.584 -0.010 0.000 1.509 688 A CA -0.220 51.812 52.037 -0.009 0.000 0.857 688 A CB 0.765 19.758 19.000 -0.013 0.000 1.531 688 A HN 0.240 nan 8.150 nan 0.000 0.541 689 K N -1.813 118.578 120.400 -0.014 0.000 2.092 689 K HA 0.684 5.004 4.320 0.000 0.000 0.256 689 K C 0.048 176.638 176.600 -0.015 0.000 1.041 689 K CA -0.225 56.053 56.287 -0.014 0.000 1.070 689 K CB 1.004 33.494 32.500 -0.017 0.000 1.707 689 K HN 0.739 nan 8.250 nan 0.000 0.750 690 A N 0.000 122.810 122.820 -0.016 0.000 2.254 690 A HA 0.000 4.320 4.320 0.000 0.000 0.244 690 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 690 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 690 A HN 0.000 nan 8.150 nan 0.000 0.486