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 2z2l_1_E DATA FIRST_RESID 254 DATA SEQUENCE RTMDGKDVYT TISSPLQSFM ETQMDAFQEK VKGKYMTATL VSAKTGEILA DATA SEQUENCE TTQRPTFDAD TKEGITEDFV WRDILYQSNY EPGSTMKVMM LAAAIDNNTF DATA SEQUENCE PGGEVFNSSE LKIADATIRD WDVNEGLTGG RMMTFSQGFA HSSNVGMTLL DATA SEQUENCE EQKMGDATWL DYLNRFKFGV PTRFGLTDEY AGQLPADNIV NIAQSSFGQG DATA SEQUENCE ISVTQTQMIR AFTAIANDGV MLEPKFISAI YDPNDQTARK SQKEIVGNPV DATA SEQUENCE SKDAASLTRT NMVLVGTDPV YGTMYNHSTG KPTVTVPGQN VALKSGTAQI DATA SEQUENCE ADEKNGGYLV GLTDYIFSAV SMSPAENPDF ILYVTVQQPE HYSGIQLGEF DATA SEQUENCE ANPILERASA MKDSLNL 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 254 R HA 0.000 nan 4.340 nan 0.000 0.208 254 R C 0.000 176.298 176.300 -0.004 0.000 0.893 254 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 254 R CB 0.000 30.297 30.300 -0.004 0.000 0.687 255 T N 5.673 120.225 114.554 -0.003 0.000 2.751 255 T HA 0.277 4.627 4.350 0.001 0.000 0.290 255 T C 0.227 174.924 174.700 -0.005 0.000 0.919 255 T CA 0.165 62.264 62.100 -0.003 0.000 1.136 255 T CB 0.149 69.017 68.868 -0.000 0.000 0.875 255 T HN 0.291 nan 8.240 nan 0.000 0.532 256 M N 3.824 123.420 119.600 -0.007 0.000 2.055 256 M HA 0.267 4.748 4.480 0.001 0.000 0.347 256 M C -0.143 176.151 176.300 -0.009 0.000 1.123 256 M CA -0.852 54.442 55.300 -0.011 0.000 1.035 256 M CB 0.840 33.430 32.600 -0.015 0.000 1.484 256 M HN 0.406 nan 8.290 nan 0.000 0.428 257 D N 2.316 122.711 120.400 -0.007 0.000 2.414 257 D HA 0.271 4.912 4.640 0.001 0.000 0.242 257 D C 0.775 177.072 176.300 -0.005 0.000 1.129 257 D CA 0.600 54.599 54.000 -0.001 0.000 0.885 257 D CB 0.986 41.791 40.800 0.008 0.000 1.198 257 D HN 0.724 nan 8.370 nan 0.000 0.437 258 G N 1.578 110.380 108.800 0.003 0.000 2.554 258 G HA2 0.077 4.038 3.960 0.001 0.000 0.238 258 G HA3 0.077 4.038 3.960 0.001 0.000 0.238 258 G C -0.065 174.839 174.900 0.007 0.000 1.259 258 G CA -0.459 44.643 45.100 0.004 0.000 0.843 258 G HN 0.337 nan 8.290 nan 0.000 0.582 259 K N 1.223 121.625 120.400 0.004 0.000 2.270 259 K HA 0.139 4.460 4.320 0.001 0.000 0.276 259 K C -0.673 175.962 176.600 0.058 0.000 1.023 259 K CA -0.430 55.865 56.287 0.014 0.000 0.955 259 K CB 0.796 33.297 32.500 0.002 0.000 0.975 259 K HN 0.389 nan 8.250 nan 0.000 0.471 260 D N 1.406 121.880 120.400 0.125 0.000 2.345 260 D HA 0.127 4.768 4.640 0.001 0.000 0.247 260 D C -0.643 175.719 176.300 0.104 0.000 1.108 260 D CA -0.194 53.872 54.000 0.110 0.000 0.894 260 D CB 1.156 42.075 40.800 0.198 0.000 1.203 260 D HN 0.009 nan 8.370 nan 0.000 0.430 261 V N 3.275 123.181 119.914 -0.013 0.000 2.378 261 V HA 0.182 4.303 4.120 0.001 0.000 0.288 261 V C -0.815 175.236 176.094 -0.073 0.000 1.016 261 V CA -0.766 61.553 62.300 0.031 0.000 0.840 261 V CB 0.439 32.291 31.823 0.048 0.000 0.994 261 V HN 0.391 nan 8.190 nan 0.000 0.431 262 Y N 3.412 123.749 120.300 0.062 0.000 2.404 262 Y HA 0.419 4.969 4.550 0.001 0.000 0.344 262 Y C 1.300 177.234 175.900 0.056 0.000 0.970 262 Y CA -0.409 57.722 58.100 0.053 0.000 1.180 262 Y CB 1.256 39.739 38.460 0.039 0.000 1.138 262 Y HN 0.766 nan 8.280 nan 0.000 0.510 263 T N -2.457 112.194 114.554 0.162 0.000 2.788 263 T HA 0.107 4.457 4.350 0.001 0.000 0.280 263 T C 1.297 176.095 174.700 0.163 0.000 0.984 263 T CA -0.081 62.119 62.100 0.167 0.000 0.972 263 T CB 1.123 70.092 68.868 0.169 0.000 1.039 263 T HN 0.655 nan 8.240 nan 0.000 0.530 264 T N -1.360 113.293 114.554 0.166 0.000 3.113 264 T HA 0.209 4.560 4.350 0.001 0.000 0.256 264 T C 0.989 175.776 174.700 0.146 0.000 1.131 264 T CA -0.381 61.808 62.100 0.149 0.000 1.074 264 T CB -0.379 68.583 68.868 0.157 0.000 0.944 264 T HN 0.529 nan 8.240 nan 0.000 0.516 265 I N 2.761 123.418 120.570 0.145 0.000 2.648 265 I HA 0.155 4.326 4.170 0.001 0.000 0.284 265 I C 0.705 176.885 176.117 0.105 0.000 1.153 265 I CA -0.079 61.295 61.300 0.124 0.000 1.426 265 I CB 0.604 38.670 38.000 0.110 0.000 1.381 265 I HN 0.235 nan 8.210 nan 0.000 0.571 266 S N 4.037 119.793 115.700 0.094 0.000 2.404 266 S HA 0.165 4.636 4.470 0.001 0.000 0.309 266 S C 1.298 175.937 174.600 0.065 0.000 1.076 266 S CA -0.305 57.942 58.200 0.077 0.000 1.095 266 S CB 0.581 63.823 63.200 0.071 0.000 0.972 266 S HN 0.724 nan 8.310 nan 0.000 0.484 267 S N 5.553 121.288 115.700 0.059 0.000 2.370 267 S HA -0.015 4.456 4.470 0.001 0.000 0.226 267 S C -1.022 173.607 174.600 0.048 0.000 1.033 267 S CA 1.021 59.251 58.200 0.050 0.000 1.011 267 S CB -1.733 61.492 63.200 0.042 0.000 0.852 267 S HN 0.640 nan 8.310 nan 0.000 0.457 268 P HA 0.076 nan 4.420 nan 0.000 0.220 268 P C 1.407 178.741 177.300 0.055 0.000 1.148 268 P CA 0.716 63.835 63.100 0.032 0.000 0.803 268 P CB -0.112 31.592 31.700 0.006 0.000 0.782 269 L N -1.266 119.990 121.223 0.055 0.000 2.162 269 L HA -0.097 4.243 4.340 0.001 0.000 0.205 269 L C 2.662 179.582 176.870 0.083 0.000 1.086 269 L CA 1.064 55.946 54.840 0.071 0.000 0.778 269 L CB -0.575 41.496 42.059 0.021 0.000 0.928 269 L HN -0.074 nan 8.230 nan 0.000 0.446 270 Q N 0.276 120.117 119.800 0.068 0.000 2.046 270 Q HA -0.190 4.151 4.340 0.001 0.000 0.200 270 Q C 2.332 178.368 176.000 0.059 0.000 0.975 270 Q CA 2.272 58.109 55.803 0.058 0.000 0.836 270 Q CB -0.157 28.614 28.738 0.055 0.000 0.896 270 Q HN 0.482 nan 8.270 nan 0.000 0.428 271 S N -0.937 114.809 115.700 0.076 0.000 2.428 271 S HA -0.092 4.379 4.470 0.001 0.000 0.230 271 S C 1.770 176.448 174.600 0.130 0.000 1.014 271 S CA 0.698 58.945 58.200 0.079 0.000 0.957 271 S CB -0.570 62.672 63.200 0.070 0.000 0.784 271 S HN 0.457 nan 8.310 nan 0.000 0.499 272 F N 1.990 121.924 119.950 -0.027 0.000 2.234 272 F HA 0.294 4.822 4.527 0.001 0.000 0.296 272 F C 2.218 177.986 175.800 -0.053 0.000 1.089 272 F CA 1.008 58.981 58.000 -0.046 0.000 1.343 272 F CB -0.503 38.454 39.000 -0.073 0.000 1.040 272 F HN 0.242 nan 8.300 nan 0.000 0.498 273 M N -0.037 119.473 119.600 -0.151 0.000 2.149 273 M HA -0.197 4.284 4.480 0.001 0.000 0.261 273 M C 1.997 178.257 176.300 -0.066 0.000 1.064 273 M CA 1.703 56.883 55.300 -0.200 0.000 1.102 273 M CB -0.247 32.324 32.600 -0.049 0.000 1.369 273 M HN 0.029 nan 8.290 nan 0.000 0.408 274 E N 0.249 120.437 120.200 -0.019 0.000 2.017 274 E HA -0.181 4.170 4.350 0.001 0.000 0.193 274 E C 2.045 178.652 176.600 0.011 0.000 0.997 274 E CA 2.301 58.709 56.400 0.014 0.000 0.804 274 E CB -0.986 28.722 29.700 0.013 0.000 0.757 274 E HN 0.694 nan 8.360 nan 0.000 0.448 275 T N -0.142 114.405 114.554 -0.012 0.000 2.915 275 T HA -0.110 4.241 4.350 0.001 0.000 0.269 275 T C 1.808 176.487 174.700 -0.036 0.000 1.071 275 T CA 0.804 62.904 62.100 -0.000 0.000 1.132 275 T CB -0.017 68.879 68.868 0.046 0.000 0.878 275 T HN -0.043 nan 8.240 nan 0.000 0.479 276 Q N 0.363 120.053 119.800 -0.183 0.000 2.050 276 Q HA 0.013 4.354 4.340 0.001 0.000 0.202 276 Q C 2.330 178.503 176.000 0.287 0.000 0.980 276 Q CA 1.414 57.126 55.803 -0.153 0.000 0.840 276 Q CB -0.484 27.867 28.738 -0.645 0.000 0.898 276 Q HN 0.508 nan 8.270 nan 0.000 0.424 277 M N 1.521 121.342 119.600 0.369 0.000 2.117 277 M HA -0.145 4.336 4.480 0.001 0.000 0.262 277 M C 1.018 177.415 176.300 0.161 0.000 1.065 277 M CA 1.630 57.129 55.300 0.333 0.000 1.114 277 M CB -0.429 32.303 32.600 0.221 0.000 1.361 277 M HN -0.003 nan 8.290 nan 0.000 0.408 278 D N 0.222 120.682 120.400 0.101 0.000 2.104 278 D HA -0.140 4.501 4.640 0.001 0.000 0.194 278 D C 1.968 178.308 176.300 0.066 0.000 0.994 278 D CA 1.972 56.005 54.000 0.054 0.000 0.830 278 D CB -0.530 40.292 40.800 0.037 0.000 0.959 278 D HN 0.513 nan 8.370 nan 0.000 0.452 279 A N 0.257 123.139 122.820 0.104 0.000 1.897 279 A HA -0.125 4.196 4.320 0.001 0.000 0.215 279 A C 2.050 179.740 177.584 0.176 0.000 1.181 279 A CA 0.704 52.808 52.037 0.112 0.000 0.620 279 A CB -0.842 18.218 19.000 0.101 0.000 0.821 279 A HN 0.188 nan 8.150 nan 0.000 0.443 280 F N 0.950 120.924 119.950 0.040 0.000 2.126 280 F HA -0.214 4.314 4.527 0.001 0.000 0.299 280 F C 2.404 178.175 175.800 -0.049 0.000 1.096 280 F CA 2.003 60.000 58.000 -0.006 0.000 1.255 280 F CB -0.800 38.137 39.000 -0.106 0.000 0.997 280 F HN 0.448 nan 8.300 nan 0.000 0.479 281 Q N -0.102 119.625 119.800 -0.121 0.000 2.124 281 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 281 Q C 2.111 178.041 176.000 -0.117 0.000 0.977 281 Q CA 1.649 57.326 55.803 -0.211 0.000 0.850 281 Q CB -0.248 28.405 28.738 -0.142 0.000 0.901 281 Q HN 0.271 nan 8.270 nan 0.000 0.429 282 E N 0.430 120.609 120.200 -0.036 0.000 2.118 282 E HA -0.172 4.179 4.350 0.001 0.000 0.195 282 E C 1.798 178.399 176.600 0.002 0.000 0.992 282 E CA 1.012 57.406 56.400 -0.011 0.000 0.804 282 E CB 0.138 29.847 29.700 0.015 0.000 0.741 282 E HN 0.313 nan 8.360 nan 0.000 0.458 283 K N 0.050 120.456 120.400 0.010 0.000 2.021 283 K HA -0.041 4.279 4.320 0.001 0.000 0.205 283 K C 2.285 178.922 176.600 0.062 0.000 1.047 283 K CA 1.338 57.647 56.287 0.037 0.000 0.943 283 K CB -0.611 31.928 32.500 0.065 0.000 0.725 283 K HN 0.203 nan 8.250 nan 0.000 0.439 284 V N -0.992 118.877 119.914 -0.076 0.000 3.052 284 V HA 0.108 4.229 4.120 0.001 0.000 0.254 284 V C 0.282 176.291 176.094 -0.143 0.000 1.100 284 V CA 0.166 62.411 62.300 -0.092 0.000 1.112 284 V CB -0.565 31.116 31.823 -0.238 0.000 0.738 284 V HN 0.208 nan 8.190 nan 0.000 0.469 285 K N 1.277 121.576 120.400 -0.168 0.000 3.156 285 K HA -0.151 4.169 4.320 0.001 0.000 0.266 285 K C 0.669 177.160 176.600 -0.183 0.000 0.966 285 K CA 0.966 57.157 56.287 -0.161 0.000 0.719 285 K CB -2.131 30.291 32.500 -0.130 0.000 1.333 285 K HN 0.901 nan 8.250 nan 0.000 0.468 286 G N 0.766 109.436 108.800 -0.216 0.000 2.483 286 G HA2 0.090 4.050 3.960 0.001 0.000 0.248 286 G HA3 0.090 4.050 3.960 0.001 0.000 0.248 286 G C 1.062 175.842 174.900 -0.200 0.000 1.248 286 G CA -0.136 44.852 45.100 -0.188 0.000 0.838 286 G HN 0.294 nan 8.290 nan 0.000 0.566 287 K N 0.585 120.863 120.400 -0.204 0.000 2.002 287 K HA -0.066 4.255 4.320 0.001 0.000 0.209 287 K C -0.301 175.974 176.600 -0.543 0.000 1.048 287 K CA 0.966 57.041 56.287 -0.353 0.000 0.930 287 K CB -0.127 32.174 32.500 -0.332 0.000 0.714 287 K HN 0.511 nan 8.250 nan 0.000 0.438 288 Y N -0.417 119.799 120.300 -0.139 0.000 2.485 288 Y HA 0.449 5.000 4.550 0.001 0.000 0.345 288 Y C -0.195 175.598 175.900 -0.177 0.000 0.998 288 Y CA -0.894 57.113 58.100 -0.155 0.000 1.059 288 Y CB 1.972 40.331 38.460 -0.167 0.000 1.234 288 Y HN -0.071 nan 8.280 nan 0.000 0.461 289 M N 1.949 121.542 119.600 -0.012 0.000 2.484 289 M HA 0.603 5.084 4.480 0.001 0.000 0.289 289 M C -1.133 175.114 176.300 -0.088 0.000 1.206 289 M CA -0.554 54.686 55.300 -0.100 0.000 0.892 289 M CB 2.999 35.496 32.600 -0.171 0.000 1.712 289 M HN 0.752 nan 8.290 nan 0.000 0.462 290 T N -0.473 114.008 114.554 -0.122 0.000 2.900 290 T HA 0.958 5.309 4.350 0.001 0.000 0.303 290 T C -1.384 173.271 174.700 -0.075 0.000 1.142 290 T CA -0.885 61.158 62.100 -0.096 0.000 1.007 290 T CB 2.113 70.900 68.868 -0.135 0.000 1.156 290 T HN 0.908 nan 8.240 nan 0.000 0.490 291 A N 1.538 124.370 122.820 0.020 0.000 2.488 291 A HA 0.767 5.088 4.320 0.001 0.000 0.295 291 A C -0.525 177.147 177.584 0.147 0.000 1.045 291 A CA -0.828 51.281 52.037 0.120 0.000 0.703 291 A CB 1.654 20.837 19.000 0.305 0.000 1.271 291 A HN 0.944 nan 8.150 nan 0.000 0.400 292 T N 2.436 117.096 114.554 0.176 0.000 2.928 292 T HA 0.500 4.851 4.350 0.001 0.000 0.296 292 T C -1.169 173.651 174.700 0.201 0.000 1.000 292 T CA -0.294 61.921 62.100 0.192 0.000 0.989 292 T CB 1.168 70.170 68.868 0.222 0.000 1.005 292 T HN 0.703 nan 8.240 nan 0.000 0.442 293 L N 5.088 126.406 121.223 0.158 0.000 2.272 293 L HA 0.751 5.091 4.340 0.001 0.000 0.289 293 L C -1.035 175.943 176.870 0.180 0.000 1.032 293 L CA -0.377 54.547 54.840 0.140 0.000 0.810 293 L CB 0.880 42.969 42.059 0.050 0.000 1.205 293 L HN 0.467 nan 8.230 nan 0.000 0.422 294 V N 3.663 123.707 119.914 0.217 0.000 2.540 294 V HA 0.408 4.529 4.120 0.001 0.000 0.302 294 V C 0.126 176.370 176.094 0.250 0.000 1.035 294 V CA -0.732 61.701 62.300 0.222 0.000 0.873 294 V CB 1.833 33.782 31.823 0.210 0.000 0.992 294 V HN 0.801 nan 8.190 nan 0.000 0.428 295 S N 3.736 119.570 115.700 0.224 0.000 2.429 295 S HA 0.281 4.752 4.470 0.001 0.000 0.292 295 S C 1.500 176.160 174.600 0.101 0.000 1.183 295 S CA 0.043 58.347 58.200 0.174 0.000 1.088 295 S CB 0.601 63.886 63.200 0.141 0.000 1.018 295 S HN 1.079 nan 8.310 nan 0.000 0.511 296 A N 5.763 128.623 122.820 0.066 0.000 1.997 296 A HA -0.164 4.156 4.320 0.001 0.000 0.221 296 A C 2.094 179.696 177.584 0.031 0.000 1.172 296 A CA 1.848 53.914 52.037 0.049 0.000 0.645 296 A CB -0.352 18.656 19.000 0.014 0.000 0.813 296 A HN 0.850 nan 8.150 nan 0.000 0.454 297 K N -1.620 118.783 120.400 0.004 0.000 2.323 297 K HA 0.012 4.332 4.320 0.001 0.000 0.197 297 K C 1.621 178.232 176.600 0.019 0.000 1.043 297 K CA 1.258 57.546 56.287 0.002 0.000 0.997 297 K CB 0.228 32.714 32.500 -0.024 0.000 0.807 297 K HN 0.700 nan 8.250 nan 0.000 0.497 298 T N -4.872 109.704 114.554 0.036 0.000 2.959 298 T HA 0.216 4.567 4.350 0.001 0.000 0.254 298 T C 1.407 176.145 174.700 0.063 0.000 1.003 298 T CA 0.285 62.411 62.100 0.043 0.000 0.950 298 T CB 0.896 69.791 68.868 0.045 0.000 1.090 298 T HN 0.171 nan 8.240 nan 0.000 0.503 299 G N 1.748 110.597 108.800 0.082 0.000 2.162 299 G HA2 -0.251 3.709 3.960 0.001 0.000 0.260 299 G HA3 -0.251 3.709 3.960 0.001 0.000 0.260 299 G C -0.205 174.774 174.900 0.132 0.000 0.976 299 G CA 0.181 45.343 45.100 0.104 0.000 0.655 299 G HN 0.671 nan 8.290 nan 0.000 0.533 300 E N -0.285 119.992 120.200 0.128 0.000 2.373 300 E HA 0.417 4.768 4.350 0.001 0.000 0.267 300 E C 0.494 177.203 176.600 0.182 0.000 1.032 300 E CA -0.277 56.212 56.400 0.149 0.000 0.889 300 E CB 0.897 30.672 29.700 0.124 0.000 0.984 300 E HN 0.396 nan 8.360 nan 0.000 0.425 301 I N 4.370 125.068 120.570 0.214 0.000 2.301 301 I HA 0.001 4.172 4.170 0.001 0.000 0.292 301 I C 0.917 177.148 176.117 0.189 0.000 1.046 301 I CA 0.033 61.464 61.300 0.218 0.000 1.282 301 I CB 0.534 38.692 38.000 0.262 0.000 1.409 301 I HN 0.488 nan 8.210 nan 0.000 0.484 302 L N 6.009 127.334 121.223 0.170 0.000 2.221 302 L HA 0.353 4.694 4.340 0.001 0.000 0.202 302 L C 0.906 177.844 176.870 0.114 0.000 1.074 302 L CA 0.436 55.362 54.840 0.143 0.000 0.795 302 L CB 0.003 42.150 42.059 0.146 0.000 0.960 302 L HN 0.690 nan 8.230 nan 0.000 0.458 303 A N -1.329 121.557 122.820 0.109 0.000 2.486 303 A HA 0.695 5.016 4.320 0.001 0.000 0.300 303 A C -0.812 176.840 177.584 0.114 0.000 1.048 303 A CA -0.281 51.812 52.037 0.093 0.000 0.696 303 A CB 1.890 20.925 19.000 0.058 0.000 1.278 303 A HN -0.109 nan 8.150 nan 0.000 0.405 304 T N 0.181 114.799 114.554 0.108 0.000 3.041 304 T HA 0.721 5.071 4.350 0.001 0.000 0.321 304 T C -1.143 173.611 174.700 0.090 0.000 1.184 304 T CA 0.104 62.273 62.100 0.116 0.000 1.050 304 T CB 1.667 70.618 68.868 0.139 0.000 1.159 304 T HN 1.314 nan 8.240 nan 0.000 0.469 305 T N 2.567 117.173 114.554 0.085 0.000 2.840 305 T HA 0.696 5.047 4.350 0.001 0.000 0.317 305 T C -2.150 172.573 174.700 0.039 0.000 1.401 305 T CA -0.581 61.554 62.100 0.058 0.000 1.028 305 T CB 1.730 70.641 68.868 0.071 0.000 1.317 305 T HN 0.899 nan 8.240 nan 0.000 0.495 306 Q N 1.974 121.786 119.800 0.020 0.000 2.435 306 Q HA 0.778 5.118 4.340 0.001 0.000 0.282 306 Q C -1.512 174.493 176.000 0.010 0.000 1.020 306 Q CA -1.322 54.484 55.803 0.005 0.000 0.820 306 Q CB 1.713 30.451 28.738 0.001 0.000 1.436 306 Q HN 0.291 nan 8.270 nan 0.000 0.395 307 R N 1.340 121.840 120.500 0.000 0.000 2.562 307 R HA 0.607 4.948 4.340 0.001 0.000 0.298 307 R C -2.614 173.701 176.300 0.025 0.000 0.961 307 R CA -2.124 53.975 56.100 -0.001 0.000 0.881 307 R CB 1.537 31.807 30.300 -0.051 0.000 1.159 307 R HN 0.617 nan 8.270 nan 0.000 0.450 308 P HA 0.239 nan 4.420 nan 0.000 0.279 308 P C -0.344 177.066 177.300 0.183 0.000 1.252 308 P CA -0.179 62.956 63.100 0.058 0.000 0.811 308 P CB 1.375 33.100 31.700 0.042 0.000 1.035 309 T N 0.288 114.953 114.554 0.185 0.000 2.669 309 T HA 0.787 5.138 4.350 0.001 0.000 0.283 309 T C -1.363 173.426 174.700 0.148 0.000 1.019 309 T CA -0.540 61.669 62.100 0.182 0.000 1.039 309 T CB 0.534 69.391 68.868 -0.018 0.000 1.374 309 T HN 0.357 nan 8.240 nan 0.000 0.523 310 F N -0.270 119.608 119.950 -0.119 0.000 2.692 310 F HA 0.738 5.266 4.527 0.001 0.000 0.320 310 F C -1.036 174.709 175.800 -0.092 0.000 1.123 310 F CA -1.279 56.602 58.000 -0.198 0.000 0.961 310 F CB 0.816 39.559 39.000 -0.427 0.000 1.383 310 F HN 0.365 nan 8.300 nan 0.000 0.483 311 D N 0.943 121.389 120.400 0.077 0.000 2.373 311 D HA 0.407 5.047 4.640 0.001 0.000 0.227 311 D C 0.819 177.222 176.300 0.171 0.000 1.091 311 D CA -0.067 53.944 54.000 0.019 0.000 0.840 311 D CB 1.918 42.735 40.800 0.029 0.000 1.060 311 D HN 0.849 nan 8.370 nan 0.000 0.502 312 A N 4.017 126.891 122.820 0.091 0.000 2.019 312 A HA -0.190 4.131 4.320 0.001 0.000 0.219 312 A C 1.689 179.372 177.584 0.165 0.000 1.164 312 A CA 1.293 53.478 52.037 0.246 0.000 0.644 312 A CB -0.032 19.053 19.000 0.142 0.000 0.805 312 A HN 0.575 nan 8.150 nan 0.000 0.449 313 D N -0.723 119.734 120.400 0.094 0.000 2.113 313 D HA -0.089 4.552 4.640 0.001 0.000 0.206 313 D C 2.390 178.729 176.300 0.064 0.000 0.979 313 D CA 2.359 56.399 54.000 0.066 0.000 0.862 313 D CB -0.273 40.551 40.800 0.041 0.000 1.013 313 D HN 0.453 nan 8.370 nan 0.000 0.455 314 T N -1.982 112.606 114.554 0.057 0.000 3.023 314 T HA -0.003 4.348 4.350 0.001 0.000 0.266 314 T C 0.986 175.716 174.700 0.050 0.000 1.093 314 T CA 0.734 62.860 62.100 0.044 0.000 1.129 314 T CB 0.052 68.939 68.868 0.032 0.000 0.899 314 T HN 0.116 nan 8.240 nan 0.000 0.491 315 K N 0.066 120.517 120.400 0.084 0.000 3.547 315 K HA -0.162 4.158 4.320 0.001 0.000 0.309 315 K C 0.074 176.691 176.600 0.029 0.000 1.324 315 K CA 0.931 57.260 56.287 0.070 0.000 0.988 315 K CB -1.861 30.654 32.500 0.025 0.000 1.261 315 K HN 0.721 nan 8.250 nan 0.000 0.444 316 E N 0.713 120.936 120.200 0.037 0.000 2.493 316 E HA 0.135 4.486 4.350 0.001 0.000 0.255 316 E C 1.183 177.790 176.600 0.012 0.000 0.999 316 E CA 1.478 57.887 56.400 0.015 0.000 0.934 316 E CB 0.124 29.834 29.700 0.017 0.000 0.940 316 E HN 0.442 nan 8.360 nan 0.000 0.473 317 G N 4.348 113.129 108.800 -0.031 0.000 2.336 317 G HA2 -0.222 3.739 3.960 0.001 0.000 0.194 317 G HA3 -0.222 3.739 3.960 0.001 0.000 0.194 317 G C 0.391 175.160 174.900 -0.217 0.000 0.999 317 G CA -0.135 44.931 45.100 -0.058 0.000 0.669 317 G HN 0.578 nan 8.290 nan 0.000 0.482 318 I N 4.121 124.500 120.570 -0.318 0.000 2.349 318 I HA 0.242 4.413 4.170 0.001 0.000 0.302 318 I C 1.521 177.551 176.117 -0.146 0.000 1.180 318 I CA 0.523 61.535 61.300 -0.480 0.000 1.405 318 I CB -0.125 37.626 38.000 -0.414 0.000 1.474 318 I HN 0.352 nan 8.210 nan 0.000 0.632 319 T N 0.246 114.775 114.554 -0.042 0.000 2.766 319 T HA 0.057 4.408 4.350 0.001 0.000 0.295 319 T C 1.285 176.025 174.700 0.067 0.000 1.024 319 T CA -0.510 61.609 62.100 0.033 0.000 1.018 319 T CB 1.447 70.350 68.868 0.058 0.000 1.002 319 T HN 0.672 nan 8.240 nan 0.000 0.532 320 E N 1.144 121.373 120.200 0.050 0.000 2.136 320 E HA -0.289 4.061 4.350 0.001 0.000 0.208 320 E C -0.119 176.527 176.600 0.076 0.000 1.035 320 E CA 2.100 58.532 56.400 0.054 0.000 0.838 320 E CB -0.323 29.397 29.700 0.034 0.000 0.748 320 E HN 0.894 nan 8.360 nan 0.000 0.459 321 D N -0.525 119.918 120.400 0.072 0.000 2.412 321 D HA 0.174 4.815 4.640 0.001 0.000 0.276 321 D C -0.994 175.349 176.300 0.073 0.000 1.196 321 D CA -0.539 53.505 54.000 0.073 0.000 0.905 321 D CB -0.199 40.623 40.800 0.038 0.000 1.081 321 D HN 0.124 nan 8.370 nan 0.000 0.502 322 F N 1.597 121.498 119.950 -0.083 0.000 2.399 322 F HA 0.550 5.078 4.527 0.001 0.000 0.334 322 F C -0.726 174.924 175.800 -0.250 0.000 1.097 322 F CA -0.948 56.930 58.000 -0.204 0.000 1.076 322 F CB 1.397 40.198 39.000 -0.332 0.000 1.162 322 F HN 0.041 nan 8.300 nan 0.000 0.495 323 V N 6.415 125.750 119.914 -0.964 0.000 2.385 323 V HA -0.026 4.095 4.120 0.001 0.000 0.269 323 V C -0.784 174.803 176.094 -0.844 0.000 1.043 323 V CA -0.452 61.474 62.300 -0.624 0.000 0.906 323 V CB 0.581 32.185 31.823 -0.365 0.000 0.995 323 V HN 0.796 nan 8.190 nan 0.000 0.467 324 W N 6.377 127.551 121.300 -0.210 0.000 1.606 324 W HA 0.425 5.085 4.660 0.001 0.000 0.455 324 W C 0.833 177.296 176.519 -0.093 0.000 0.711 324 W CA -0.221 57.093 57.345 -0.052 0.000 1.876 324 W CB -0.040 29.449 29.460 0.048 0.000 1.776 324 W HN 0.401 nan 8.180 nan 0.000 0.229 325 R N 2.168 122.629 120.500 -0.065 0.000 2.522 325 R HA 0.103 4.444 4.340 0.001 0.000 0.283 325 R C -1.527 174.642 176.300 -0.219 0.000 1.074 325 R CA -0.654 55.351 56.100 -0.157 0.000 0.925 325 R CB 1.533 31.701 30.300 -0.220 0.000 1.205 325 R HN -0.020 nan 8.270 nan 0.000 0.436 326 D N 6.202 126.423 120.400 -0.299 0.000 2.380 326 D HA 0.115 4.756 4.640 0.001 0.000 0.230 326 D C 1.601 177.658 176.300 -0.406 0.000 1.154 326 D CA -0.521 53.305 54.000 -0.291 0.000 0.859 326 D CB 0.879 41.543 40.800 -0.226 0.000 1.045 326 D HN 0.659 nan 8.370 nan 0.000 0.495 327 I N 1.436 121.842 120.570 -0.274 0.000 3.241 327 I HA -0.095 4.076 4.170 0.001 0.000 0.280 327 I C 1.676 177.695 176.117 -0.162 0.000 1.320 327 I CA 0.147 61.280 61.300 -0.279 0.000 1.413 327 I CB -0.182 37.625 38.000 -0.321 0.000 1.060 327 I HN 0.235 nan 8.210 nan 0.000 0.500 328 L N 2.090 123.272 121.223 -0.068 0.000 2.141 328 L HA -0.137 4.203 4.340 0.001 0.000 0.209 328 L C 1.805 178.777 176.870 0.170 0.000 1.094 328 L CA 1.852 56.751 54.840 0.098 0.000 0.763 328 L CB -0.578 41.611 42.059 0.217 0.000 0.908 328 L HN 0.599 nan 8.230 nan 0.000 0.437 329 Y N -3.383 116.912 120.300 -0.008 0.000 2.791 329 Y HA 0.483 5.034 4.550 0.001 0.000 0.263 329 Y C 0.661 176.516 175.900 -0.076 0.000 1.089 329 Y CA -0.593 57.508 58.100 0.002 0.000 1.253 329 Y CB -0.750 37.760 38.460 0.083 0.000 1.360 329 Y HN 0.188 nan 8.280 nan 0.000 0.569 330 Q N 1.092 120.513 119.800 -0.632 0.000 2.144 330 Q HA 0.391 4.731 4.340 0.001 0.000 0.305 330 Q C -0.653 174.695 176.000 -1.087 0.000 0.876 330 Q CA -0.251 54.888 55.803 -1.107 0.000 1.130 330 Q CB 1.380 29.493 28.738 -1.042 0.000 1.267 330 Q HN 0.220 nan 8.270 nan 0.000 0.433 331 S N 0.673 116.112 115.700 -0.436 0.000 2.677 331 S HA 0.394 4.864 4.470 0.001 0.000 0.283 331 S C -1.446 173.262 174.600 0.181 0.000 1.159 331 S CA -0.676 57.445 58.200 -0.131 0.000 1.001 331 S CB 0.651 63.741 63.200 -0.183 0.000 1.032 331 S HN 0.190 nan 8.310 nan 0.000 0.487 332 N N 4.354 123.205 118.700 0.253 0.000 2.462 332 N HA 0.399 5.139 4.740 0.001 0.000 0.242 332 N C -0.971 174.660 175.510 0.202 0.000 1.010 332 N CA -0.095 53.083 53.050 0.214 0.000 0.939 332 N CB 0.720 39.309 38.487 0.170 0.000 1.127 332 N HN 0.694 nan 8.380 nan 0.000 0.509 333 Y N -1.097 119.215 120.300 0.020 0.000 2.602 333 Y HA 0.565 5.115 4.550 0.001 0.000 0.342 333 Y C -0.188 175.721 175.900 0.015 0.000 1.029 333 Y CA -1.433 56.670 58.100 0.006 0.000 1.080 333 Y CB 0.849 39.300 38.460 -0.015 0.000 1.284 333 Y HN 0.153 nan 8.280 nan 0.000 0.485 334 E N 3.838 124.079 120.200 0.068 0.000 2.194 334 E HA 0.183 4.534 4.350 0.001 0.000 0.284 334 E C -1.888 174.739 176.600 0.045 0.000 1.035 334 E CA -1.993 54.396 56.400 -0.017 0.000 0.836 334 E CB 1.178 30.919 29.700 0.068 0.000 1.070 334 E HN 0.526 nan 8.360 nan 0.000 0.401 335 P HA -0.059 nan 4.420 nan 0.000 0.225 335 P C 0.883 178.267 177.300 0.141 0.000 1.156 335 P CA 0.977 64.119 63.100 0.070 0.000 0.787 335 P CB 0.394 32.044 31.700 -0.085 0.000 0.802 336 G N 0.571 109.414 108.800 0.071 0.000 2.583 336 G HA2 -0.343 3.618 3.960 0.001 0.000 0.292 336 G HA3 -0.343 3.618 3.960 0.001 0.000 0.292 336 G C 1.231 176.207 174.900 0.127 0.000 1.203 336 G CA 0.544 45.703 45.100 0.098 0.000 0.987 336 G HN 0.208 nan 8.290 nan 0.000 0.554 337 S N 0.701 116.479 115.700 0.130 0.000 2.423 337 S HA -0.067 4.404 4.470 0.001 0.000 0.231 337 S C 2.667 177.346 174.600 0.131 0.000 1.014 337 S CA 2.626 60.902 58.200 0.128 0.000 0.965 337 S CB -0.588 62.654 63.200 0.071 0.000 0.785 337 S HN 1.494 nan 8.310 nan 0.000 0.495 338 T N 0.002 114.661 114.554 0.176 0.000 2.881 338 T HA -0.099 4.252 4.350 0.001 0.000 0.270 338 T C 1.647 176.488 174.700 0.236 0.000 1.068 338 T CA 1.225 63.466 62.100 0.235 0.000 1.131 338 T CB -0.463 68.637 68.868 0.386 0.000 0.871 338 T HN 0.265 nan 8.240 nan 0.000 0.479 339 M N 1.488 121.174 119.600 0.144 0.000 2.260 339 M HA 0.017 4.498 4.480 0.001 0.000 0.261 339 M C 1.919 178.289 176.300 0.118 0.000 1.066 339 M CA 1.366 56.703 55.300 0.062 0.000 1.082 339 M CB -0.648 31.934 32.600 -0.031 0.000 1.388 339 M HN 0.178 nan 8.290 nan 0.000 0.419 340 K N -0.972 119.523 120.400 0.159 0.000 2.160 340 K HA -0.145 4.176 4.320 0.001 0.000 0.206 340 K C 1.744 178.529 176.600 0.309 0.000 1.047 340 K CA 1.523 57.937 56.287 0.211 0.000 0.930 340 K CB -0.439 32.199 32.500 0.230 0.000 0.720 340 K HN 0.285 nan 8.250 nan 0.000 0.450 341 V N 0.998 121.110 119.914 0.330 0.000 2.282 341 V HA -0.302 3.819 4.120 0.001 0.000 0.249 341 V C 2.166 178.325 176.094 0.108 0.000 1.057 341 V CA 1.811 64.282 62.300 0.284 0.000 1.032 341 V CB -0.345 31.660 31.823 0.303 0.000 0.645 341 V HN 0.316 nan 8.190 nan 0.000 0.447 342 M N -1.408 118.221 119.600 0.048 0.000 2.229 342 M HA -0.093 4.388 4.480 0.001 0.000 0.264 342 M C 1.983 178.331 176.300 0.080 0.000 1.063 342 M CA 1.772 56.996 55.300 -0.128 0.000 1.114 342 M CB -0.749 31.607 32.600 -0.406 0.000 1.387 342 M HN 0.376 nan 8.290 nan 0.000 0.420 343 M N -0.332 119.316 119.600 0.079 0.000 2.132 343 M HA -0.105 4.375 4.480 0.001 0.000 0.263 343 M C 1.829 178.004 176.300 -0.209 0.000 1.065 343 M CA 1.667 56.873 55.300 -0.158 0.000 1.122 343 M CB -0.642 31.741 32.600 -0.362 0.000 1.365 343 M HN 0.261 nan 8.290 nan 0.000 0.411 344 L N 0.529 121.627 121.223 -0.207 0.000 1.994 344 L HA 0.036 4.376 4.340 0.001 0.000 0.208 344 L C 2.365 179.004 176.870 -0.385 0.000 1.071 344 L CA 2.315 56.893 54.840 -0.437 0.000 0.745 344 L CB -1.517 40.102 42.059 -0.733 0.000 0.892 344 L HN 0.349 nan 8.230 nan 0.000 0.431 345 A N -0.072 122.620 122.820 -0.212 0.000 1.896 345 A HA -0.308 4.013 4.320 0.001 0.000 0.220 345 A C 2.491 180.016 177.584 -0.099 0.000 1.206 345 A CA 2.902 54.894 52.037 -0.075 0.000 0.647 345 A CB -1.548 17.532 19.000 0.133 0.000 0.828 345 A HN 0.671 nan 8.150 nan 0.000 0.455 346 A N -0.511 122.239 122.820 -0.116 0.000 1.883 346 A HA 0.075 4.396 4.320 0.001 0.000 0.217 346 A C 2.577 179.874 177.584 -0.479 0.000 1.186 346 A CA 2.729 54.437 52.037 -0.548 0.000 0.624 346 A CB -1.226 17.546 19.000 -0.379 0.000 0.822 346 A HN 1.291 nan 8.150 nan 0.000 0.444 347 A N -0.057 122.583 122.820 -0.300 0.000 1.865 347 A HA -0.125 4.196 4.320 0.001 0.000 0.217 347 A C 2.141 179.664 177.584 -0.102 0.000 1.191 347 A CA 1.677 53.595 52.037 -0.198 0.000 0.623 347 A CB -0.717 18.166 19.000 -0.195 0.000 0.826 347 A HN 0.528 nan 8.150 nan 0.000 0.444 348 I N -0.390 120.088 120.570 -0.153 0.000 2.179 348 I HA -0.263 3.908 4.170 0.001 0.000 0.242 348 I C 2.264 178.382 176.117 0.001 0.000 1.088 348 I CA 1.952 63.228 61.300 -0.041 0.000 1.357 348 I CB -0.536 37.394 38.000 -0.117 0.000 1.051 348 I HN 0.390 nan 8.210 nan 0.000 0.409 349 D N 1.019 121.405 120.400 -0.023 0.000 2.182 349 D HA -0.254 4.387 4.640 0.001 0.000 0.201 349 D C 1.786 178.164 176.300 0.129 0.000 0.986 349 D CA 1.186 55.227 54.000 0.068 0.000 0.847 349 D CB -0.099 40.780 40.800 0.132 0.000 0.942 349 D HN 0.167 nan 8.370 nan 0.000 0.467 350 N N -0.140 118.616 118.700 0.094 0.000 2.383 350 N HA -0.015 4.726 4.740 0.001 0.000 0.192 350 N C -0.745 174.817 175.510 0.086 0.000 1.141 350 N CA 0.144 53.284 53.050 0.151 0.000 0.851 350 N CB -0.377 38.216 38.487 0.178 0.000 0.976 350 N HN 0.119 nan 8.380 nan 0.000 0.465 351 N N -1.064 117.675 118.700 0.065 0.000 2.725 351 N HA -0.182 4.559 4.740 0.001 0.000 0.251 351 N C -0.986 174.544 175.510 0.032 0.000 1.031 351 N CA 1.182 54.263 53.050 0.052 0.000 0.720 351 N CB -1.587 36.928 38.487 0.046 0.000 0.930 351 N HN 0.400 nan 8.380 nan 0.000 0.543 352 T N -3.990 110.580 114.554 0.028 0.000 3.571 352 T HA 0.256 4.606 4.350 0.001 0.000 0.292 352 T C -0.662 174.027 174.700 -0.019 0.000 0.994 352 T CA -0.522 61.566 62.100 -0.020 0.000 0.996 352 T CB -0.236 68.614 68.868 -0.030 0.000 1.185 352 T HN 0.250 nan 8.240 nan 0.000 0.482 353 F N 3.969 123.826 119.950 -0.155 0.000 2.449 353 F HA 0.445 4.973 4.527 0.001 0.000 0.344 353 F C -2.356 173.376 175.800 -0.114 0.000 1.180 353 F CA -2.765 55.123 58.000 -0.188 0.000 1.209 353 F CB 1.384 40.292 39.000 -0.153 0.000 1.440 353 F HN -0.039 nan 8.300 nan 0.000 0.526 354 P HA 0.142 nan 4.420 nan 0.000 0.259 354 P C 1.084 178.072 177.300 -0.520 0.000 1.635 354 P CA 0.306 63.192 63.100 -0.358 0.000 1.199 354 P CB 0.536 32.152 31.700 -0.139 0.000 1.850 355 G N 3.020 111.289 108.800 -0.886 0.000 2.469 355 G HA2 -0.255 3.706 3.960 0.001 0.000 0.219 355 G HA3 -0.255 3.706 3.960 0.001 0.000 0.219 355 G C 1.492 176.273 174.900 -0.197 0.000 1.150 355 G CA 0.737 45.371 45.100 -0.777 0.000 0.763 355 G HN 0.515 nan 8.290 nan 0.000 0.561 356 G N -0.384 108.347 108.800 -0.116 0.000 2.920 356 G HA2 0.141 4.101 3.960 0.001 0.000 0.208 356 G HA3 0.141 4.101 3.960 0.001 0.000 0.208 356 G C 0.575 175.463 174.900 -0.020 0.000 1.159 356 G CA 0.101 45.175 45.100 -0.042 0.000 0.784 356 G HN 0.510 nan 8.290 nan 0.000 0.535 357 E N 0.633 120.853 120.200 0.033 0.000 2.313 357 E HA 0.349 4.699 4.350 0.001 0.000 0.276 357 E C -0.485 176.096 176.600 -0.031 0.000 1.031 357 E CA -0.508 55.937 56.400 0.076 0.000 0.857 357 E CB 1.264 31.085 29.700 0.203 0.000 1.040 357 E HN -0.102 nan 8.360 nan 0.000 0.408 358 V N 5.334 125.192 119.914 -0.093 0.000 2.732 358 V HA 0.322 4.442 4.120 0.001 0.000 0.297 358 V C -0.205 175.750 176.094 -0.231 0.000 1.060 358 V CA 0.056 62.227 62.300 -0.215 0.000 1.038 358 V CB 0.512 32.232 31.823 -0.171 0.000 1.003 358 V HN 0.588 nan 8.190 nan 0.000 0.481 359 F N 2.383 122.060 119.950 -0.455 0.000 2.643 359 F HA 0.598 5.126 4.527 0.001 0.000 0.314 359 F C -0.761 174.897 175.800 -0.236 0.000 1.096 359 F CA -1.377 56.390 58.000 -0.388 0.000 0.953 359 F CB 1.570 40.174 39.000 -0.660 0.000 1.345 359 F HN 0.332 nan 8.300 nan 0.000 0.468 360 N N 0.834 119.531 118.700 -0.005 0.000 2.444 360 N HA 0.220 4.961 4.740 0.001 0.000 0.271 360 N C 0.171 175.741 175.510 0.100 0.000 1.069 360 N CA 0.219 53.236 53.050 -0.055 0.000 0.965 360 N CB 1.582 40.071 38.487 0.003 0.000 1.092 360 N HN 0.796 nan 8.380 nan 0.000 0.476 361 S N 0.489 116.156 115.700 -0.055 0.000 2.557 361 S HA 0.094 4.564 4.470 0.001 0.000 0.223 361 S C 0.319 174.935 174.600 0.028 0.000 0.969 361 S CA -0.613 57.636 58.200 0.080 0.000 0.927 361 S CB -0.481 62.706 63.200 -0.022 0.000 0.806 361 S HN 0.485 nan 8.310 nan 0.000 0.489 362 S N 1.617 117.318 115.700 0.001 0.000 2.585 362 S HA 0.272 4.743 4.470 0.001 0.000 0.273 362 S C -0.162 174.446 174.600 0.012 0.000 1.339 362 S CA -0.810 57.385 58.200 -0.008 0.000 1.028 362 S CB 0.010 63.199 63.200 -0.018 0.000 0.906 362 S HN 0.515 nan 8.310 nan 0.000 0.528 363 E N 0.842 121.044 120.200 0.002 0.000 3.131 363 E HA -0.105 4.245 4.350 0.001 0.000 0.258 363 E C -0.542 176.074 176.600 0.027 0.000 0.901 363 E CA 0.370 56.776 56.400 0.011 0.000 0.964 363 E CB -0.074 29.634 29.700 0.012 0.000 0.903 363 E HN 0.425 nan 8.360 nan 0.000 0.537 364 L N 3.389 124.633 121.223 0.035 0.000 2.350 364 L HA 0.241 4.582 4.340 0.001 0.000 0.275 364 L C 0.418 177.319 176.870 0.052 0.000 1.099 364 L CA -0.200 54.669 54.840 0.048 0.000 0.808 364 L CB 0.948 43.043 42.059 0.060 0.000 1.149 364 L HN 0.424 nan 8.230 nan 0.000 0.442 365 K N 4.426 124.856 120.400 0.050 0.000 2.394 365 K HA 0.550 4.871 4.320 0.001 0.000 0.260 365 K C -1.217 175.415 176.600 0.055 0.000 0.967 365 K CA -0.464 55.853 56.287 0.051 0.000 0.855 365 K CB 1.130 33.654 32.500 0.041 0.000 1.101 365 K HN 0.465 nan 8.250 nan 0.000 0.433 366 I N 4.440 125.048 120.570 0.064 0.000 2.410 366 I HA 0.266 4.436 4.170 0.001 0.000 0.286 366 I C 0.637 176.787 176.117 0.055 0.000 1.009 366 I CA -0.229 61.107 61.300 0.060 0.000 1.111 366 I CB 1.542 39.583 38.000 0.069 0.000 1.262 366 I HN 1.003 nan 8.210 nan 0.000 0.443 367 A N 5.853 128.699 122.820 0.045 0.000 5.175 367 A HA -0.328 3.993 4.320 0.001 0.000 0.332 367 A C 1.409 179.016 177.584 0.038 0.000 1.800 367 A CA 1.895 53.955 52.037 0.038 0.000 0.707 367 A CB -1.356 17.666 19.000 0.037 0.000 1.405 367 A HN 0.867 nan 8.150 nan 0.000 0.388 368 D N 0.881 121.304 120.400 0.039 0.000 2.350 368 D HA 0.473 5.113 4.640 0.001 0.000 0.213 368 D C 0.757 177.087 176.300 0.049 0.000 1.031 368 D CA 1.081 55.104 54.000 0.038 0.000 0.861 368 D CB -0.431 40.387 40.800 0.030 0.000 0.926 368 D HN 1.226 nan 8.370 nan 0.000 0.520 369 A N 0.207 123.064 122.820 0.062 0.000 2.269 369 A HA 0.626 4.947 4.320 0.001 0.000 0.319 369 A C -0.179 177.456 177.584 0.084 0.000 1.110 369 A CA -0.393 51.695 52.037 0.084 0.000 0.847 369 A CB 1.179 20.242 19.000 0.106 0.000 1.161 369 A HN 0.052 nan 8.150 nan 0.000 0.497 370 T N 1.069 115.681 114.554 0.096 0.000 2.861 370 T HA 0.555 4.906 4.350 0.001 0.000 0.287 370 T C -0.620 174.139 174.700 0.098 0.000 1.003 370 T CA 0.019 62.169 62.100 0.083 0.000 0.977 370 T CB 0.838 69.744 68.868 0.064 0.000 0.996 370 T HN 0.422 nan 8.240 nan 0.000 0.448 371 I N 3.090 123.706 120.570 0.077 0.000 2.355 371 I HA 0.484 4.655 4.170 0.001 0.000 0.288 371 I C 0.288 176.380 176.117 -0.042 0.000 0.999 371 I CA -0.611 60.711 61.300 0.037 0.000 1.163 371 I CB 1.197 39.251 38.000 0.089 0.000 1.316 371 I HN 0.289 nan 8.210 nan 0.000 0.454 372 R N 3.746 124.191 120.500 -0.092 0.000 2.740 372 R HA 0.449 4.789 4.340 0.001 0.000 0.282 372 R C -1.164 175.054 176.300 -0.136 0.000 0.969 372 R CA -0.999 55.053 56.100 -0.080 0.000 0.918 372 R CB 1.891 32.174 30.300 -0.029 0.000 1.175 372 R HN 0.436 nan 8.270 nan 0.000 0.464 373 D N 1.081 121.415 120.400 -0.110 0.000 2.377 373 D HA 0.004 4.645 4.640 0.001 0.000 0.245 373 D C 1.083 177.339 176.300 -0.072 0.000 1.196 373 D CA -0.297 53.629 54.000 -0.122 0.000 0.962 373 D CB 0.443 41.141 40.800 -0.169 0.000 1.127 373 D HN 0.567 nan 8.370 nan 0.000 0.471 374 W N 0.246 121.502 121.300 -0.073 0.000 2.388 374 W HA -0.109 4.552 4.660 0.001 0.000 0.294 374 W C 0.730 177.236 176.519 -0.021 0.000 1.212 374 W CA 0.376 57.680 57.345 -0.068 0.000 1.271 374 W CB -0.766 28.631 29.460 -0.103 0.000 1.126 374 W HN 0.164 nan 8.180 nan 0.000 0.535 375 D N 1.682 121.526 120.400 -0.926 0.000 2.191 375 D HA -0.197 4.444 4.640 0.001 0.000 0.195 375 D C 1.208 177.337 176.300 -0.286 0.000 1.003 375 D CA 1.292 54.820 54.000 -0.788 0.000 0.867 375 D CB -0.588 39.813 40.800 -0.665 0.000 0.926 375 D HN -0.078 nan 8.370 nan 0.000 0.450 376 V N 1.345 121.153 119.914 -0.176 0.000 2.795 376 V HA -0.270 3.851 4.120 0.001 0.000 0.298 376 V C 0.775 176.836 176.094 -0.055 0.000 1.107 376 V CA 1.637 63.883 62.300 -0.090 0.000 1.270 376 V CB -0.664 31.132 31.823 -0.044 0.000 0.831 376 V HN 0.551 nan 8.190 nan 0.000 0.473 377 N N 1.589 120.254 118.700 -0.058 0.000 2.946 377 N HA -0.170 4.571 4.740 0.001 0.000 0.207 377 N C 0.275 175.761 175.510 -0.041 0.000 0.906 377 N CA 1.316 54.343 53.050 -0.038 0.000 1.035 377 N CB -0.526 37.954 38.487 -0.013 0.000 0.998 377 N HN 0.859 nan 8.380 nan 0.000 0.595 378 E N 0.287 120.454 120.200 -0.055 0.000 2.342 378 E HA 0.562 4.913 4.350 0.001 0.000 0.257 378 E C 0.733 177.285 176.600 -0.081 0.000 1.150 378 E CA 0.380 56.748 56.400 -0.052 0.000 0.926 378 E CB 0.912 30.590 29.700 -0.037 0.000 1.074 378 E HN 0.385 nan 8.360 nan 0.000 0.449 379 G N -0.538 108.220 108.800 -0.069 0.000 2.541 379 G HA2 -0.146 3.815 3.960 0.001 0.000 0.686 379 G HA3 -0.146 3.815 3.960 0.001 0.000 0.686 379 G C -0.511 174.345 174.900 -0.072 0.000 1.286 379 G CA -0.835 44.214 45.100 -0.085 0.000 0.894 379 G HN 0.353 nan 8.290 nan 0.000 0.575 380 L N -0.745 120.430 121.223 -0.080 0.000 2.416 380 L HA 0.360 4.701 4.340 0.001 0.000 0.212 380 L C 2.219 179.051 176.870 -0.062 0.000 1.200 380 L CA 0.142 54.941 54.840 -0.069 0.000 0.841 380 L CB -0.155 41.859 42.059 -0.074 0.000 1.299 380 L HN 0.679 nan 8.230 nan 0.000 0.538 381 T N 0.015 114.536 114.554 -0.054 0.000 3.427 381 T HA 0.185 4.536 4.350 0.001 0.000 0.256 381 T C 0.882 175.547 174.700 -0.058 0.000 1.172 381 T CA 0.576 62.646 62.100 -0.050 0.000 1.018 381 T CB -0.818 68.025 68.868 -0.042 0.000 0.981 381 T HN 0.932 nan 8.240 nan 0.000 0.555 382 G N 1.063 109.821 108.800 -0.069 0.000 2.527 382 G HA2 0.069 4.030 3.960 0.001 0.000 0.262 382 G HA3 0.069 4.030 3.960 0.001 0.000 0.262 382 G C 0.852 175.707 174.900 -0.074 0.000 1.153 382 G CA 0.223 45.275 45.100 -0.080 0.000 0.954 382 G HN 1.332 nan 8.290 nan 0.000 0.552 383 G N -1.366 107.390 108.800 -0.072 0.000 2.308 383 G HA2 0.023 3.983 3.960 0.001 0.000 0.221 383 G HA3 0.023 3.983 3.960 0.001 0.000 0.221 383 G C 0.448 175.305 174.900 -0.070 0.000 1.032 383 G CA 1.476 46.538 45.100 -0.064 0.000 0.623 383 G HN 1.711 nan 8.290 nan 0.000 0.506 384 R N 0.750 121.203 120.500 -0.079 0.000 2.435 384 R HA 0.759 5.100 4.340 0.001 0.000 0.308 384 R C 0.058 176.275 176.300 -0.138 0.000 0.975 384 R CA -0.483 55.568 56.100 -0.081 0.000 0.867 384 R CB 0.531 30.817 30.300 -0.024 0.000 1.171 384 R HN 0.254 nan 8.270 nan 0.000 0.470 385 M N 5.493 124.973 119.600 -0.199 0.000 2.211 385 M HA 0.359 4.839 4.480 0.001 0.000 0.356 385 M C 0.247 176.294 176.300 -0.422 0.000 1.216 385 M CA -0.211 54.882 55.300 -0.344 0.000 1.134 385 M CB 1.361 33.753 32.600 -0.346 0.000 1.564 385 M HN 0.457 nan 8.290 nan 0.000 0.463 386 M N 0.804 120.016 119.600 -0.647 0.000 2.247 386 M HA 0.408 4.889 4.480 0.001 0.000 0.326 386 M C 0.303 176.260 176.300 -0.573 0.000 1.134 386 M CA -0.754 54.148 55.300 -0.663 0.000 1.136 386 M CB 0.177 32.334 32.600 -0.738 0.000 1.454 386 M HN 0.670 nan 8.290 nan 0.000 0.467 387 T N -1.672 112.681 114.554 -0.336 0.000 2.849 387 T HA 0.315 4.666 4.350 0.001 0.000 0.284 387 T C 0.583 175.323 174.700 0.065 0.000 1.004 387 T CA -0.465 61.545 62.100 -0.152 0.000 1.021 387 T CB 0.507 69.325 68.868 -0.084 0.000 1.013 387 T HN 0.518 nan 8.240 nan 0.000 0.527 388 F N 0.880 120.956 119.950 0.210 0.000 2.202 388 F HA -0.071 4.457 4.527 0.001 0.000 0.301 388 F C 3.036 179.021 175.800 0.308 0.000 1.082 388 F CA 1.529 59.657 58.000 0.214 0.000 1.313 388 F CB -0.993 37.993 39.000 -0.023 0.000 1.024 388 F HN 0.583 nan 8.300 nan 0.000 0.495 389 S N -0.429 115.494 115.700 0.372 0.000 2.359 389 S HA -0.276 4.194 4.470 0.001 0.000 0.224 389 S C 1.937 176.737 174.600 0.333 0.000 1.035 389 S CA 1.518 59.965 58.200 0.412 0.000 1.018 389 S CB -0.483 62.866 63.200 0.248 0.000 0.876 389 S HN 0.473 nan 8.310 nan 0.000 0.448 390 Q N 0.309 120.195 119.800 0.144 0.000 2.119 390 Q HA 0.001 4.342 4.340 0.001 0.000 0.201 390 Q C 2.513 178.588 176.000 0.125 0.000 0.972 390 Q CA 1.088 56.876 55.803 -0.025 0.000 0.847 390 Q CB -0.523 27.883 28.738 -0.554 0.000 0.903 390 Q HN 0.630 nan 8.270 nan 0.000 0.433 391 G N 0.536 109.503 108.800 0.279 0.000 2.476 391 G HA2 -0.309 3.651 3.960 0.001 0.000 0.218 391 G HA3 -0.309 3.651 3.960 0.001 0.000 0.218 391 G C 1.172 176.302 174.900 0.383 0.000 1.164 391 G CA 0.741 46.100 45.100 0.432 0.000 0.768 391 G HN 0.375 nan 8.290 nan 0.000 0.560 392 F N 2.428 122.532 119.950 0.258 0.000 2.095 392 F HA 0.028 4.556 4.527 0.001 0.000 0.298 392 F C 2.821 178.743 175.800 0.203 0.000 1.104 392 F CA 1.525 59.645 58.000 0.200 0.000 1.232 392 F CB -0.359 38.738 39.000 0.162 0.000 0.987 392 F HN 0.237 nan 8.300 nan 0.000 0.475 393 A N -0.746 122.229 122.820 0.258 0.000 1.883 393 A HA -0.316 4.005 4.320 0.001 0.000 0.217 393 A C 1.860 179.559 177.584 0.192 0.000 1.186 393 A CA 2.058 54.202 52.037 0.179 0.000 0.624 393 A CB -1.444 17.737 19.000 0.301 0.000 0.822 393 A HN 0.630 nan 8.150 nan 0.000 0.444 394 H N -0.345 118.851 119.070 0.210 0.000 2.553 394 H HA 0.199 4.755 4.556 0.001 0.000 0.269 394 H C 0.793 176.318 175.328 0.329 0.000 1.011 394 H CA 0.571 56.804 56.048 0.309 0.000 1.150 394 H CB -0.428 29.533 29.762 0.332 0.000 1.339 394 H HN 0.382 nan 8.280 nan 0.000 0.604 395 S N -0.082 115.698 115.700 0.133 0.000 3.550 395 S HA -0.247 4.223 4.470 0.001 0.000 0.372 395 S C 0.134 174.843 174.600 0.182 0.000 0.966 395 S CA 0.551 58.799 58.200 0.080 0.000 1.229 395 S CB -1.646 61.574 63.200 0.033 0.000 0.917 395 S HN 0.607 nan 8.310 nan 0.000 0.496 396 S N 1.248 117.070 115.700 0.202 0.000 2.448 396 S HA 0.348 4.819 4.470 0.001 0.000 0.279 396 S C 1.378 176.008 174.600 0.050 0.000 1.195 396 S CA -0.620 57.684 58.200 0.175 0.000 1.051 396 S CB 0.388 63.785 63.200 0.328 0.000 0.948 396 S HN 0.612 nan 8.310 nan 0.000 0.493 397 N N 4.176 122.818 118.700 -0.096 0.000 2.166 397 N HA -0.104 4.636 4.740 0.001 0.000 0.186 397 N C 1.740 177.121 175.510 -0.216 0.000 1.019 397 N CA 1.034 53.861 53.050 -0.373 0.000 0.856 397 N CB -0.465 37.506 38.487 -0.860 0.000 0.993 397 N HN 0.473 nan 8.380 nan 0.000 0.426 398 V N 0.959 120.814 119.914 -0.098 0.000 2.307 398 V HA -0.129 3.991 4.120 0.001 0.000 0.245 398 V C 2.516 178.551 176.094 -0.098 0.000 1.045 398 V CA 2.023 64.311 62.300 -0.020 0.000 1.024 398 V CB -1.308 30.563 31.823 0.080 0.000 0.651 398 V HN 0.312 nan 8.190 nan 0.000 0.449 399 G N 0.025 108.675 108.800 -0.250 0.000 2.491 399 G HA2 -0.294 3.667 3.960 0.001 0.000 0.218 399 G HA3 -0.294 3.667 3.960 0.001 0.000 0.218 399 G C 1.518 176.307 174.900 -0.186 0.000 1.180 399 G CA 1.408 46.056 45.100 -0.754 0.000 0.774 399 G HN 0.328 nan 8.290 nan 0.000 0.562 400 M N 0.744 120.324 119.600 -0.033 0.000 2.159 400 M HA -0.034 4.447 4.480 0.001 0.000 0.263 400 M C 2.666 178.942 176.300 -0.039 0.000 1.063 400 M CA 1.437 56.742 55.300 0.008 0.000 1.110 400 M CB -1.819 30.837 32.600 0.093 0.000 1.374 400 M HN 0.161 nan 8.290 nan 0.000 0.411 401 T N 1.513 116.091 114.554 0.040 0.000 2.746 401 T HA -0.071 4.279 4.350 0.001 0.000 0.267 401 T C 2.076 176.758 174.700 -0.030 0.000 1.039 401 T CA 1.062 63.189 62.100 0.045 0.000 1.142 401 T CB -0.291 68.665 68.868 0.147 0.000 0.866 401 T HN 0.312 nan 8.240 nan 0.000 0.444 402 L N 0.349 121.556 121.223 -0.026 0.000 2.131 402 L HA -0.020 4.321 4.340 0.001 0.000 0.210 402 L C 2.417 179.225 176.870 -0.105 0.000 1.092 402 L CA 0.917 55.755 54.840 -0.004 0.000 0.759 402 L CB -0.501 41.615 42.059 0.095 0.000 0.903 402 L HN 0.274 nan 8.230 nan 0.000 0.435 403 L N -0.600 120.504 121.223 -0.199 0.000 2.093 403 L HA -0.179 4.161 4.340 0.001 0.000 0.208 403 L C 2.725 179.453 176.870 -0.237 0.000 1.085 403 L CA 0.975 55.625 54.840 -0.317 0.000 0.755 403 L CB -0.475 41.412 42.059 -0.286 0.000 0.904 403 L HN 0.299 nan 8.230 nan 0.000 0.435 404 E N -0.004 120.049 120.200 -0.244 0.000 2.204 404 E HA -0.207 4.144 4.350 0.001 0.000 0.194 404 E C 2.036 178.564 176.600 -0.120 0.000 0.989 404 E CA 0.980 57.218 56.400 -0.269 0.000 0.824 404 E CB 0.165 29.618 29.700 -0.411 0.000 0.756 404 E HN 0.455 nan 8.360 nan 0.000 0.477 405 Q N 0.415 120.165 119.800 -0.083 0.000 2.167 405 Q HA -0.075 4.265 4.340 0.001 0.000 0.202 405 Q C 2.090 178.075 176.000 -0.025 0.000 0.970 405 Q CA 0.840 56.626 55.803 -0.028 0.000 0.855 405 Q CB -0.104 28.631 28.738 -0.005 0.000 0.911 405 Q HN 0.277 nan 8.270 nan 0.000 0.438 406 K N 0.215 120.578 120.400 -0.062 0.000 2.057 406 K HA -0.064 4.257 4.320 0.001 0.000 0.207 406 K C 2.072 178.657 176.600 -0.024 0.000 1.049 406 K CA 1.070 57.322 56.287 -0.057 0.000 0.931 406 K CB -0.101 32.324 32.500 -0.125 0.000 0.714 406 K HN 0.173 nan 8.250 nan 0.000 0.440 407 M N -0.072 119.514 119.600 -0.024 0.000 2.193 407 M HA -0.019 4.462 4.480 0.001 0.000 0.265 407 M C 0.337 176.682 176.300 0.075 0.000 1.071 407 M CA 1.661 56.980 55.300 0.033 0.000 1.140 407 M CB 0.264 32.884 32.600 0.033 0.000 1.369 407 M HN 0.238 nan 8.290 nan 0.000 0.423 408 G N 0.453 109.294 108.800 0.068 0.000 2.662 408 G HA2 -0.179 3.782 3.960 0.001 0.000 0.686 408 G HA3 -0.179 3.782 3.960 0.001 0.000 0.686 408 G C -0.640 174.348 174.900 0.147 0.000 1.271 408 G CA -0.245 44.908 45.100 0.088 0.000 0.816 408 G HN 0.390 nan 8.290 nan 0.000 0.608 409 D N 0.108 120.586 120.400 0.131 0.000 2.194 409 D HA 0.113 4.754 4.640 0.001 0.000 0.204 409 D C 2.678 179.071 176.300 0.155 0.000 0.964 409 D CA 1.765 55.864 54.000 0.165 0.000 0.846 409 D CB -0.261 40.608 40.800 0.115 0.000 0.962 409 D HN 0.813 nan 8.370 nan 0.000 0.490 410 A N 0.423 123.311 122.820 0.114 0.000 1.873 410 A HA -0.124 4.196 4.320 0.001 0.000 0.215 410 A C 2.344 179.992 177.584 0.107 0.000 1.186 410 A CA 1.832 53.919 52.037 0.084 0.000 0.616 410 A CB -0.803 18.232 19.000 0.058 0.000 0.823 410 A HN 0.181 nan 8.150 nan 0.000 0.442 411 T N -1.347 113.303 114.554 0.161 0.000 2.737 411 T HA -0.173 4.177 4.350 0.001 0.000 0.265 411 T C 1.645 176.577 174.700 0.387 0.000 1.038 411 T CA 1.044 63.282 62.100 0.229 0.000 1.144 411 T CB -0.404 68.620 68.868 0.260 0.000 0.866 411 T HN 0.686 nan 8.240 nan 0.000 0.434 412 W N 1.811 123.215 121.300 0.173 0.000 2.338 412 W HA -0.138 4.523 4.660 0.001 0.000 0.304 412 W C 1.677 178.296 176.519 0.168 0.000 1.212 412 W CA 0.767 58.216 57.345 0.172 0.000 1.264 412 W CB -0.332 29.172 29.460 0.074 0.000 1.142 412 W HN 0.209 nan 8.180 nan 0.000 0.512 413 L N 0.529 121.742 121.223 -0.016 0.000 2.017 413 L HA -0.256 4.084 4.340 0.001 0.000 0.208 413 L C 2.270 179.071 176.870 -0.116 0.000 1.073 413 L CA 2.194 56.945 54.840 -0.149 0.000 0.745 413 L CB -1.218 40.813 42.059 -0.047 0.000 0.894 413 L HN -0.010 nan 8.230 nan 0.000 0.432 414 D N -0.559 119.816 120.400 -0.041 0.000 2.103 414 D HA -0.286 4.355 4.640 0.001 0.000 0.190 414 D C 2.050 178.282 176.300 -0.113 0.000 0.997 414 D CA 1.761 55.707 54.000 -0.090 0.000 0.833 414 D CB -0.185 40.544 40.800 -0.119 0.000 0.961 414 D HN 0.215 nan 8.370 nan 0.000 0.447 415 Y N 0.067 120.346 120.300 -0.035 0.000 2.256 415 Y HA -0.099 4.452 4.550 0.001 0.000 0.288 415 Y C 2.254 178.166 175.900 0.020 0.000 1.155 415 Y CA 0.884 58.998 58.100 0.022 0.000 1.203 415 Y CB -0.230 38.351 38.460 0.202 0.000 0.980 415 Y HN 0.103 nan 8.280 nan 0.000 0.530 416 L N -0.447 120.721 121.223 -0.091 0.000 2.093 416 L HA -0.237 4.104 4.340 0.001 0.000 0.208 416 L C 2.012 178.934 176.870 0.086 0.000 1.085 416 L CA 1.095 55.914 54.840 -0.035 0.000 0.755 416 L CB -0.474 41.380 42.059 -0.342 0.000 0.904 416 L HN 0.262 nan 8.230 nan 0.000 0.435 417 N N 0.250 118.936 118.700 -0.024 0.000 2.188 417 N HA -0.129 4.612 4.740 0.001 0.000 0.184 417 N C 1.898 177.362 175.510 -0.076 0.000 1.018 417 N CA 1.027 54.051 53.050 -0.044 0.000 0.858 417 N CB -0.183 38.263 38.487 -0.068 0.000 0.989 417 N HN 0.352 nan 8.380 nan 0.000 0.426 418 R N -0.199 120.239 120.500 -0.103 0.000 2.120 418 R HA -0.001 4.340 4.340 0.001 0.000 0.234 418 R C 1.242 177.384 176.300 -0.263 0.000 1.123 418 R CA 0.840 56.817 56.100 -0.204 0.000 0.975 418 R CB -0.231 29.893 30.300 -0.294 0.000 0.866 418 R HN 0.161 nan 8.270 nan 0.000 0.446 419 F N 0.867 120.744 119.950 -0.121 0.000 2.797 419 F HA 0.114 4.641 4.527 0.001 0.000 0.302 419 F C 0.532 176.010 175.800 -0.537 0.000 1.130 419 F CA 0.399 58.228 58.000 -0.285 0.000 1.387 419 F CB 0.136 38.999 39.000 -0.228 0.000 1.107 419 F HN -0.127 nan 8.300 nan 0.000 0.577 420 K N -0.843 119.441 120.400 -0.194 0.000 3.192 420 K HA -0.223 4.097 4.320 0.001 0.000 0.278 420 K C -0.452 176.009 176.600 -0.232 0.000 1.164 420 K CA 0.062 56.231 56.287 -0.196 0.000 0.816 420 K CB -2.302 30.087 32.500 -0.184 0.000 1.256 420 K HN 0.121 nan 8.250 nan 0.000 0.497 421 F N 0.950 120.881 119.950 -0.031 0.000 2.459 421 F HA 0.295 4.823 4.527 0.001 0.000 0.346 421 F C 1.873 177.633 175.800 -0.067 0.000 1.128 421 F CA 1.400 59.359 58.000 -0.069 0.000 1.268 421 F CB 0.975 39.906 39.000 -0.114 0.000 1.161 421 F HN 0.280 nan 8.300 nan 0.000 0.583 422 G N 1.040 109.932 108.800 0.152 0.000 2.225 422 G HA2 -0.210 3.751 3.960 0.001 0.000 0.254 422 G HA3 -0.210 3.751 3.960 0.001 0.000 0.254 422 G C -0.504 174.418 174.900 0.037 0.000 0.988 422 G CA 0.028 45.166 45.100 0.063 0.000 0.625 422 G HN 0.633 nan 8.290 nan 0.000 0.527 423 V N 3.048 122.979 119.914 0.027 0.000 2.384 423 V HA 0.542 4.663 4.120 0.001 0.000 0.287 423 V C -1.492 174.616 176.094 0.023 0.000 1.020 423 V CA -1.721 60.587 62.300 0.014 0.000 0.850 423 V CB 1.859 33.676 31.823 -0.011 0.000 0.987 423 V HN 0.180 nan 8.190 nan 0.000 0.436 424 P HA 0.043 nan 4.420 nan 0.000 0.270 424 P C 0.883 178.222 177.300 0.065 0.000 1.227 424 P CA 0.178 63.329 63.100 0.085 0.000 0.788 424 P CB 0.557 32.330 31.700 0.121 0.000 0.926 425 T N -2.373 112.226 114.554 0.076 0.000 3.081 425 T HA -0.029 4.321 4.350 0.001 0.000 0.255 425 T C 0.707 175.498 174.700 0.151 0.000 1.113 425 T CA -0.295 61.843 62.100 0.064 0.000 1.082 425 T CB -0.505 68.355 68.868 -0.013 0.000 0.939 425 T HN 0.295 nan 8.240 nan 0.000 0.506 426 R N 1.084 121.704 120.500 0.201 0.000 3.184 426 R HA -0.175 4.166 4.340 0.001 0.000 0.242 426 R C 0.407 176.869 176.300 0.271 0.000 0.907 426 R CA 0.639 56.867 56.100 0.214 0.000 0.618 426 R CB -3.054 27.320 30.300 0.123 0.000 1.016 426 R HN 0.749 nan 8.270 nan 0.000 0.469 427 F N -2.183 117.811 119.950 0.072 0.000 2.710 427 F HA 0.375 4.902 4.527 0.001 0.000 0.298 427 F C 1.353 177.267 175.800 0.190 0.000 1.137 427 F CA 0.182 58.243 58.000 0.102 0.000 1.444 427 F CB 0.243 39.315 39.000 0.121 0.000 1.111 427 F HN 0.269 nan 8.300 nan 0.000 0.580 428 G N 0.448 109.168 108.800 -0.133 0.000 2.613 428 G HA2 -0.045 3.916 3.960 0.001 0.000 0.199 428 G HA3 -0.045 3.916 3.960 0.001 0.000 0.199 428 G C -0.301 174.542 174.900 -0.096 0.000 0.991 428 G CA -0.139 44.920 45.100 -0.068 0.000 0.756 428 G HN 0.309 nan 8.290 nan 0.000 0.515 429 L N 2.823 123.788 121.223 -0.429 0.000 2.309 429 L HA 0.579 4.920 4.340 0.001 0.000 0.282 429 L C 1.280 178.133 176.870 -0.029 0.000 1.036 429 L CA -0.562 54.074 54.840 -0.340 0.000 0.806 429 L CB 1.599 43.195 42.059 -0.772 0.000 1.220 429 L HN 0.299 nan 8.230 nan 0.000 0.429 430 T N -2.120 112.477 114.554 0.073 0.000 2.900 430 T HA 0.108 4.459 4.350 0.001 0.000 0.307 430 T C 0.330 175.183 174.700 0.256 0.000 1.065 430 T CA -0.316 61.869 62.100 0.142 0.000 1.105 430 T CB 0.740 69.673 68.868 0.108 0.000 0.979 430 T HN 0.752 nan 8.240 nan 0.000 0.544 431 D N -0.493 120.050 120.400 0.239 0.000 2.800 431 D HA -0.153 4.488 4.640 0.001 0.000 0.232 431 D C -0.054 176.496 176.300 0.416 0.000 1.137 431 D CA 1.117 55.291 54.000 0.289 0.000 0.718 431 D CB -0.879 40.070 40.800 0.247 0.000 1.084 431 D HN 0.867 nan 8.370 nan 0.000 0.432 432 E N -0.125 120.346 120.200 0.452 0.000 2.373 432 E HA 0.129 4.480 4.350 0.001 0.000 0.267 432 E C -0.000 176.906 176.600 0.510 0.000 1.032 432 E CA -0.442 56.287 56.400 0.548 0.000 0.889 432 E CB 0.463 30.460 29.700 0.495 0.000 0.984 432 E HN 0.088 nan 8.360 nan 0.000 0.425 433 Y N 1.099 121.501 120.300 0.170 0.000 2.340 433 Y HA 0.348 4.899 4.550 0.001 0.000 0.327 433 Y C 0.941 176.893 175.900 0.087 0.000 1.321 433 Y CA -0.417 57.740 58.100 0.096 0.000 1.433 433 Y CB 1.313 39.808 38.460 0.058 0.000 1.373 433 Y HN 0.664 nan 8.280 nan 0.000 0.538 434 A N -0.069 122.854 122.820 0.171 0.000 2.287 434 A HA 0.491 4.812 4.320 0.001 0.000 0.214 434 A C 1.123 178.754 177.584 0.078 0.000 1.228 434 A CA 0.526 52.619 52.037 0.095 0.000 0.939 434 A CB -0.710 18.310 19.000 0.034 0.000 0.992 434 A HN 1.237 nan 8.150 nan 0.000 0.502 435 G N -0.852 107.996 108.800 0.079 0.000 2.804 435 G HA2 -0.100 3.861 3.960 0.001 0.000 0.230 435 G HA3 -0.100 3.861 3.960 0.001 0.000 0.230 435 G C -0.352 174.553 174.900 0.008 0.000 1.386 435 G CA 0.191 45.313 45.100 0.037 0.000 0.875 435 G HN 0.954 nan 8.290 nan 0.000 0.557 436 Q N -1.194 118.596 119.800 -0.016 0.000 2.268 436 Q HA 0.579 4.919 4.340 0.001 0.000 0.266 436 Q C 0.092 176.067 176.000 -0.041 0.000 1.006 436 Q CA -0.868 54.921 55.803 -0.024 0.000 0.824 436 Q CB 1.377 30.097 28.738 -0.030 0.000 1.306 436 Q HN 0.712 nan 8.270 nan 0.000 0.424 437 L N 4.490 125.693 121.223 -0.034 0.000 2.482 437 L HA 0.287 4.627 4.340 0.001 0.000 0.273 437 L C -1.765 175.071 176.870 -0.057 0.000 1.228 437 L CA -1.481 53.326 54.840 -0.055 0.000 0.827 437 L CB -0.088 41.945 42.059 -0.044 0.000 1.099 437 L HN 0.543 nan 8.230 nan 0.000 0.494 438 P HA 0.010 nan 4.420 nan 0.000 0.267 438 P C -0.736 176.549 177.300 -0.025 0.000 1.200 438 P CA -0.328 62.748 63.100 -0.041 0.000 0.772 438 P CB 0.439 32.124 31.700 -0.026 0.000 0.855 439 A N 2.211 125.021 122.820 -0.017 0.000 2.531 439 A HA -0.013 4.307 4.320 0.001 0.000 0.236 439 A C 0.817 178.400 177.584 -0.001 0.000 1.062 439 A CA -0.042 51.989 52.037 -0.011 0.000 0.760 439 A CB -0.423 18.570 19.000 -0.010 0.000 0.995 439 A HN 0.540 nan 8.150 nan 0.000 0.501 440 D N 1.548 121.948 120.400 -0.001 0.000 2.598 440 D HA 0.096 4.736 4.640 0.001 0.000 0.231 440 D C -0.254 176.053 176.300 0.013 0.000 1.127 440 D CA 0.341 54.345 54.000 0.006 0.000 1.126 440 D CB -0.865 39.937 40.800 0.003 0.000 1.124 440 D HN 0.674 nan 8.370 nan 0.000 0.485 441 N N -0.956 117.756 118.700 0.019 0.000 2.494 441 N HA 0.202 4.943 4.740 0.001 0.000 0.270 441 N C 1.031 176.563 175.510 0.036 0.000 1.285 441 N CA -0.890 52.175 53.050 0.024 0.000 0.812 441 N CB 0.643 39.141 38.487 0.020 0.000 1.557 441 N HN -0.068 nan 8.380 nan 0.000 0.487 442 I N -1.857 118.737 120.570 0.039 0.000 2.700 442 I HA -0.054 4.117 4.170 0.001 0.000 0.261 442 I C 0.926 177.074 176.117 0.053 0.000 1.219 442 I CA 0.472 61.801 61.300 0.049 0.000 1.463 442 I CB -0.276 37.751 38.000 0.045 0.000 1.092 442 I HN 0.355 nan 8.210 nan 0.000 0.452 443 V N 1.868 121.811 119.914 0.048 0.000 2.331 443 V HA -0.167 3.953 4.120 0.001 0.000 0.242 443 V C 2.194 178.315 176.094 0.045 0.000 1.034 443 V CA 2.245 64.579 62.300 0.056 0.000 1.027 443 V CB -0.878 30.980 31.823 0.058 0.000 0.667 443 V HN 0.473 nan 8.190 nan 0.000 0.457 444 N N 0.071 118.791 118.700 0.034 0.000 2.188 444 N HA -0.083 4.658 4.740 0.001 0.000 0.184 444 N C 1.792 177.313 175.510 0.019 0.000 1.018 444 N CA 1.258 54.318 53.050 0.017 0.000 0.858 444 N CB -0.126 38.367 38.487 0.011 0.000 0.989 444 N HN 0.412 nan 8.380 nan 0.000 0.426 445 I N 0.971 121.574 120.570 0.056 0.000 2.252 445 I HA -0.219 3.952 4.170 0.001 0.000 0.245 445 I C 2.488 178.690 176.117 0.142 0.000 1.102 445 I CA 0.656 62.034 61.300 0.130 0.000 1.385 445 I CB -0.455 37.630 38.000 0.141 0.000 1.064 445 I HN 0.162 nan 8.210 nan 0.000 0.414 446 A N 0.716 123.570 122.820 0.056 0.000 1.845 446 A HA -0.264 4.057 4.320 0.001 0.000 0.215 446 A C 2.264 179.767 177.584 -0.134 0.000 1.195 446 A CA 1.653 53.690 52.037 0.001 0.000 0.616 446 A CB -0.801 18.229 19.000 0.051 0.000 0.832 446 A HN 0.441 nan 8.150 nan 0.000 0.443 447 Q N 0.349 120.028 119.800 -0.201 0.000 2.197 447 Q HA -0.180 4.160 4.340 0.001 0.000 0.207 447 Q C 2.323 177.809 176.000 -0.857 0.000 0.984 447 Q CA 1.950 57.337 55.803 -0.695 0.000 0.869 447 Q CB -0.389 28.157 28.738 -0.320 0.000 0.906 447 Q HN 0.873 nan 8.270 nan 0.000 0.426 448 S N 0.373 115.896 115.700 -0.294 0.000 2.440 448 S HA -0.200 4.270 4.470 0.001 0.000 0.238 448 S C 2.020 176.615 174.600 -0.009 0.000 1.010 448 S CA 1.290 59.439 58.200 -0.085 0.000 0.972 448 S CB -0.510 62.784 63.200 0.157 0.000 0.774 448 S HN 0.471 nan 8.310 nan 0.000 0.501 449 S N 2.304 117.880 115.700 -0.206 0.000 2.399 449 S HA -0.074 4.397 4.470 0.001 0.000 0.231 449 S C 1.377 175.896 174.600 -0.134 0.000 1.022 449 S CA 0.871 58.839 58.200 -0.386 0.000 0.983 449 S CB -1.046 61.840 63.200 -0.523 0.000 0.803 449 S HN 0.858 nan 8.310 nan 0.000 0.480 450 F N -0.156 119.766 119.950 -0.046 0.000 2.647 450 F HA 0.735 5.263 4.527 0.001 0.000 0.300 450 F C 1.195 176.997 175.800 0.003 0.000 1.106 450 F CA -0.708 57.285 58.000 -0.013 0.000 1.313 450 F CB -0.311 38.685 39.000 -0.005 0.000 1.007 450 F HN 0.242 nan 8.300 nan 0.000 0.536 451 G N 0.587 109.286 108.800 -0.169 0.000 2.149 451 G HA2 -0.187 3.774 3.960 0.001 0.000 0.235 451 G HA3 -0.187 3.774 3.960 0.001 0.000 0.235 451 G C -0.276 174.548 174.900 -0.126 0.000 1.018 451 G CA -0.117 44.912 45.100 -0.119 0.000 0.728 451 G HN 0.438 nan 8.290 nan 0.000 0.508 452 Q N -1.148 118.502 119.800 -0.251 0.000 2.399 452 Q HA 0.639 4.980 4.340 0.001 0.000 0.276 452 Q C 1.063 177.005 176.000 -0.096 0.000 1.098 452 Q CA -0.058 55.682 55.803 -0.105 0.000 0.827 452 Q CB 1.445 30.162 28.738 -0.036 0.000 1.386 452 Q HN 1.415 nan 8.270 nan 0.000 0.443 453 G N 0.885 109.712 108.800 0.044 0.000 2.155 453 G HA2 -0.277 3.684 3.960 0.001 0.000 0.257 453 G HA3 -0.277 3.684 3.960 0.001 0.000 0.257 453 G C -0.031 174.844 174.900 -0.042 0.000 0.983 453 G CA 0.772 45.880 45.100 0.013 0.000 0.676 453 G HN 0.543 nan 8.290 nan 0.000 0.528 454 I N 0.796 121.320 120.570 -0.076 0.000 2.619 454 I HA 0.646 4.816 4.170 0.001 0.000 0.292 454 I C -0.014 176.017 176.117 -0.142 0.000 1.100 454 I CA -0.394 60.831 61.300 -0.125 0.000 1.043 454 I CB 2.000 39.883 38.000 -0.196 0.000 1.239 454 I HN 0.326 nan 8.210 nan 0.000 0.420 455 S N 7.177 122.799 115.700 -0.129 0.000 2.509 455 S HA 0.857 5.328 4.470 0.001 0.000 0.297 455 S C -0.555 173.932 174.600 -0.188 0.000 1.118 455 S CA -0.418 57.694 58.200 -0.147 0.000 1.074 455 S CB 1.770 64.931 63.200 -0.064 0.000 1.038 455 S HN 0.837 nan 8.310 nan 0.000 0.498 456 V N -0.423 119.299 119.914 -0.319 0.000 3.160 456 V HA 0.943 5.063 4.120 0.001 0.000 0.310 456 V C -0.139 175.808 176.094 -0.245 0.000 1.181 456 V CA -0.431 61.711 62.300 -0.264 0.000 1.047 456 V CB 1.291 32.909 31.823 -0.342 0.000 1.068 456 V HN 1.215 nan 8.190 nan 0.000 0.441 457 T N -1.180 113.370 114.554 -0.007 0.000 2.949 457 T HA 0.469 4.820 4.350 0.001 0.000 0.287 457 T C 0.616 175.466 174.700 0.249 0.000 1.034 457 T CA -0.257 61.950 62.100 0.178 0.000 1.018 457 T CB 1.876 70.848 68.868 0.174 0.000 1.135 457 T HN 0.773 nan 8.240 nan 0.000 0.532 458 Q N 0.126 120.159 119.800 0.388 0.000 2.119 458 Q HA -0.079 4.262 4.340 0.001 0.000 0.201 458 Q C 2.506 178.608 176.000 0.171 0.000 0.972 458 Q CA 1.951 57.991 55.803 0.395 0.000 0.847 458 Q CB -0.501 28.464 28.738 0.378 0.000 0.903 458 Q HN 0.998 nan 8.270 nan 0.000 0.433 459 T N -1.094 113.491 114.554 0.052 0.000 2.759 459 T HA -0.217 4.134 4.350 0.001 0.000 0.269 459 T C 1.745 176.380 174.700 -0.108 0.000 1.042 459 T CA 1.246 63.272 62.100 -0.122 0.000 1.140 459 T CB -0.212 68.427 68.868 -0.380 0.000 0.864 459 T HN 0.258 nan 8.240 nan 0.000 0.455 460 Q N -0.013 119.755 119.800 -0.054 0.000 2.050 460 Q HA -0.035 4.305 4.340 0.001 0.000 0.202 460 Q C 2.543 178.443 176.000 -0.167 0.000 0.980 460 Q CA 1.378 57.125 55.803 -0.093 0.000 0.840 460 Q CB -0.270 28.491 28.738 0.038 0.000 0.898 460 Q HN 0.432 nan 8.270 nan 0.000 0.424 461 M N 0.234 119.738 119.600 -0.161 0.000 2.067 461 M HA -0.151 4.329 4.480 0.001 0.000 0.260 461 M C 2.310 178.121 176.300 -0.815 0.000 1.069 461 M CA 1.466 56.417 55.300 -0.581 0.000 1.117 461 M CB -0.990 31.229 32.600 -0.635 0.000 1.334 461 M HN 0.232 nan 8.290 nan 0.000 0.407 462 I N -0.347 120.034 120.570 -0.316 0.000 2.113 462 I HA -0.384 3.786 4.170 0.001 0.000 0.242 462 I C 2.794 178.891 176.117 -0.035 0.000 1.064 462 I CA 1.656 62.944 61.300 -0.019 0.000 1.320 462 I CB -0.553 37.500 38.000 0.089 0.000 1.028 462 I HN 0.342 nan 8.210 nan 0.000 0.406 463 R N 0.995 121.437 120.500 -0.097 0.000 2.094 463 R HA -0.257 4.084 4.340 0.001 0.000 0.239 463 R C 2.378 178.647 176.300 -0.052 0.000 1.137 463 R CA 2.048 58.105 56.100 -0.073 0.000 0.943 463 R CB -0.408 29.820 30.300 -0.119 0.000 0.850 463 R HN 0.409 nan 8.270 nan 0.000 0.433 464 A N 0.398 123.118 122.820 -0.168 0.000 1.908 464 A HA -0.177 4.144 4.320 0.001 0.000 0.218 464 A C 1.979 179.631 177.584 0.113 0.000 1.181 464 A CA 1.456 53.468 52.037 -0.042 0.000 0.627 464 A CB -0.751 18.070 19.000 -0.300 0.000 0.818 464 A HN 0.398 nan 8.150 nan 0.000 0.445 465 F N 1.268 121.234 119.950 0.027 0.000 2.216 465 F HA -0.155 4.373 4.527 0.001 0.000 0.300 465 F C 2.937 178.777 175.800 0.065 0.000 1.085 465 F CA 1.445 59.461 58.000 0.027 0.000 1.326 465 F CB -1.465 37.521 39.000 -0.023 0.000 1.027 465 F HN 0.434 nan 8.300 nan 0.000 0.497 466 T N -1.833 112.870 114.554 0.248 0.000 2.788 466 T HA -0.169 4.181 4.350 0.001 0.000 0.268 466 T C 2.213 177.001 174.700 0.147 0.000 1.044 466 T CA 1.141 63.339 62.100 0.164 0.000 1.139 466 T CB -0.939 67.998 68.868 0.114 0.000 0.867 466 T HN 0.173 nan 8.240 nan 0.000 0.454 467 A N 1.212 124.136 122.820 0.175 0.000 1.940 467 A HA 0.060 4.381 4.320 0.001 0.000 0.219 467 A C 2.245 179.936 177.584 0.179 0.000 1.176 467 A CA 1.558 53.693 52.037 0.164 0.000 0.631 467 A CB -0.746 18.379 19.000 0.208 0.000 0.814 467 A HN 0.529 nan 8.150 nan 0.000 0.446 468 I N -0.666 120.039 120.570 0.226 0.000 2.480 468 I HA -0.028 4.142 4.170 0.001 0.000 0.251 468 I C 2.578 178.763 176.117 0.113 0.000 1.124 468 I CA 1.185 62.591 61.300 0.177 0.000 1.444 468 I CB -0.215 37.905 38.000 0.200 0.000 1.098 468 I HN 0.257 nan 8.210 nan 0.000 0.428 469 A N -0.688 122.200 122.820 0.114 0.000 2.208 469 A HA 0.036 4.357 4.320 0.001 0.000 0.209 469 A C 1.370 178.988 177.584 0.055 0.000 1.161 469 A CA 0.583 52.665 52.037 0.074 0.000 0.782 469 A CB -0.437 18.609 19.000 0.077 0.000 0.816 469 A HN 0.437 nan 8.150 nan 0.000 0.477 470 N N 0.734 119.472 118.700 0.063 0.000 2.703 470 N HA 0.077 4.817 4.740 0.001 0.000 0.283 470 N C -1.201 174.332 175.510 0.037 0.000 1.851 470 N CA -0.127 52.948 53.050 0.042 0.000 0.826 470 N CB 0.157 38.668 38.487 0.041 0.000 1.239 470 N HN 0.090 nan 8.380 nan 0.000 0.495 471 D N 1.150 121.571 120.400 0.035 0.000 2.782 471 D HA -0.210 4.431 4.640 0.001 0.000 0.231 471 D C 1.102 177.419 176.300 0.028 0.000 1.163 471 D CA 1.711 55.728 54.000 0.028 0.000 0.680 471 D CB -1.259 39.551 40.800 0.017 0.000 1.062 471 D HN 0.857 nan 8.370 nan 0.000 0.425 472 G N -2.456 106.369 108.800 0.042 0.000 2.194 472 G HA2 -0.301 3.660 3.960 0.001 0.000 0.236 472 G HA3 -0.301 3.660 3.960 0.001 0.000 0.236 472 G C 0.319 175.219 174.900 0.001 0.000 0.987 472 G CA 0.064 45.181 45.100 0.029 0.000 0.635 472 G HN 0.584 nan 8.290 nan 0.000 0.520 473 V N 2.146 122.066 119.914 0.010 0.000 2.368 473 V HA 0.587 4.708 4.120 0.001 0.000 0.266 473 V C 0.733 176.832 176.094 0.008 0.000 1.045 473 V CA -0.022 62.275 62.300 -0.004 0.000 0.899 473 V CB 1.410 33.232 31.823 -0.001 0.000 1.006 473 V HN 0.457 nan 8.190 nan 0.000 0.470 474 M N 6.538 126.130 119.600 -0.014 0.000 2.162 474 M HA 0.460 4.941 4.480 0.001 0.000 0.356 474 M C -0.933 175.369 176.300 0.003 0.000 1.303 474 M CA 0.039 55.339 55.300 0.001 0.000 1.116 474 M CB 0.412 32.988 32.600 -0.040 0.000 1.632 474 M HN 0.521 nan 8.290 nan 0.000 0.469 475 L N 3.201 124.439 121.223 0.024 0.000 2.334 475 L HA 0.500 4.841 4.340 0.001 0.000 0.272 475 L C -0.258 176.630 176.870 0.031 0.000 1.020 475 L CA -0.946 53.910 54.840 0.028 0.000 0.812 475 L CB 1.667 43.752 42.059 0.042 0.000 1.264 475 L HN 0.592 nan 8.230 nan 0.000 0.439 476 E N 3.000 123.222 120.200 0.037 0.000 2.259 476 E HA 0.243 4.594 4.350 0.001 0.000 0.281 476 E C -2.400 174.256 176.600 0.094 0.000 1.037 476 E CA -1.635 54.799 56.400 0.056 0.000 0.854 476 E CB 0.976 30.714 29.700 0.065 0.000 1.051 476 E HN 0.160 nan 8.360 nan 0.000 0.409 477 P HA -0.007 nan 4.420 nan 0.000 0.264 477 P C -1.160 176.325 177.300 0.309 0.000 1.183 477 P CA 0.430 63.627 63.100 0.163 0.000 0.763 477 P CB 0.495 32.217 31.700 0.036 0.000 0.807 478 K N 2.079 122.650 120.400 0.285 0.000 2.371 478 K HA 0.428 4.749 4.320 0.001 0.000 0.251 478 K C 0.004 176.780 176.600 0.294 0.000 0.934 478 K CA -0.405 56.008 56.287 0.209 0.000 0.798 478 K CB 1.573 34.122 32.500 0.082 0.000 1.204 478 K HN 0.431 nan 8.250 nan 0.000 0.427 479 F N -0.388 119.629 119.950 0.111 0.000 2.834 479 F HA 0.440 4.968 4.527 0.001 0.000 0.332 479 F C 0.018 175.845 175.800 0.046 0.000 1.056 479 F CA -0.545 57.502 58.000 0.078 0.000 1.178 479 F CB 0.367 39.395 39.000 0.046 0.000 1.037 479 F HN 0.126 nan 8.300 nan 0.000 0.580 480 I N 1.319 121.605 120.570 -0.474 0.000 2.331 480 I HA 0.264 4.434 4.170 0.001 0.000 0.292 480 I C 1.076 177.139 176.117 -0.091 0.000 0.998 480 I CA -0.372 60.778 61.300 -0.251 0.000 1.267 480 I CB 1.752 39.519 38.000 -0.388 0.000 1.386 480 I HN 0.210 nan 8.210 nan 0.000 0.476 481 S N 4.502 120.216 115.700 0.024 0.000 2.460 481 S HA 0.446 4.916 4.470 0.001 0.000 0.226 481 S C 0.401 175.024 174.600 0.038 0.000 1.057 481 S CA 0.477 58.705 58.200 0.045 0.000 0.948 481 S CB 0.338 63.595 63.200 0.095 0.000 0.822 481 S HN 0.791 nan 8.310 nan 0.000 0.512 482 A N 0.270 123.145 122.820 0.093 0.000 2.594 482 A HA 0.674 4.995 4.320 0.001 0.000 0.296 482 A C -1.690 176.005 177.584 0.185 0.000 1.061 482 A CA -0.647 51.445 52.037 0.090 0.000 0.689 482 A CB 0.838 19.844 19.000 0.009 0.000 1.280 482 A HN 0.328 nan 8.150 nan 0.000 0.406 483 I N 1.986 122.642 120.570 0.143 0.000 2.382 483 I HA 0.332 4.503 4.170 0.001 0.000 0.286 483 I C -1.055 175.186 176.117 0.207 0.000 1.002 483 I CA -0.531 60.872 61.300 0.171 0.000 1.135 483 I CB 1.527 39.573 38.000 0.078 0.000 1.288 483 I HN 0.725 nan 8.210 nan 0.000 0.448 484 Y N 6.149 126.541 120.300 0.153 0.000 2.342 484 Y HA 0.409 4.959 4.550 0.001 0.000 0.334 484 Y C -0.553 175.397 175.900 0.083 0.000 1.067 484 Y CA -0.581 57.591 58.100 0.120 0.000 1.128 484 Y CB 1.181 39.761 38.460 0.201 0.000 1.200 484 Y HN 0.448 nan 8.280 nan 0.000 0.464 485 D N 8.201 128.195 120.400 -0.676 0.000 2.349 485 D HA 0.286 4.926 4.640 0.001 0.000 0.232 485 D C -2.018 173.714 176.300 -0.946 0.000 1.071 485 D CA -2.505 51.147 54.000 -0.581 0.000 0.832 485 D CB 2.211 42.834 40.800 -0.295 0.000 1.086 485 D HN 0.361 nan 8.370 nan 0.000 0.504 486 P HA -0.086 nan 4.420 nan 0.000 0.220 486 P C 0.942 178.157 177.300 -0.141 0.000 1.152 486 P CA 0.538 63.486 63.100 -0.255 0.000 0.812 486 P CB 0.649 32.359 31.700 0.017 0.000 0.792 487 N N 1.340 119.963 118.700 -0.129 0.000 2.036 487 N HA -0.155 4.586 4.740 0.001 0.000 0.195 487 N C 0.871 176.340 175.510 -0.068 0.000 1.037 487 N CA 1.944 54.950 53.050 -0.075 0.000 0.855 487 N CB -0.747 37.701 38.487 -0.065 0.000 1.033 487 N HN 0.376 nan 8.380 nan 0.000 0.423 488 D N -0.467 119.874 120.400 -0.098 0.000 2.593 488 D HA 0.052 4.693 4.640 0.001 0.000 0.241 488 D C -0.508 175.748 176.300 -0.072 0.000 1.257 488 D CA -0.216 53.743 54.000 -0.067 0.000 0.828 488 D CB -0.593 40.174 40.800 -0.055 0.000 1.049 488 D HN 0.050 nan 8.370 nan 0.000 0.490 489 Q N 0.317 120.054 119.800 -0.105 0.000 2.395 489 Q HA -0.187 4.153 4.340 0.001 0.000 0.326 489 Q C -0.548 175.444 176.000 -0.014 0.000 1.302 489 Q CA 1.230 57.006 55.803 -0.046 0.000 0.949 489 Q CB -1.940 26.845 28.738 0.079 0.000 1.204 489 Q HN 0.674 nan 8.270 nan 0.000 0.444 490 T N -3.263 111.210 114.554 -0.135 0.000 2.908 490 T HA 0.876 5.227 4.350 0.001 0.000 0.290 490 T C -0.356 174.325 174.700 -0.031 0.000 1.034 490 T CA -0.387 61.687 62.100 -0.044 0.000 1.010 490 T CB 2.519 71.358 68.868 -0.048 0.000 1.068 490 T HN 0.359 nan 8.240 nan 0.000 0.481 491 A N 1.888 124.746 122.820 0.063 0.000 2.479 491 A HA 0.884 5.205 4.320 0.001 0.000 0.296 491 A C -0.773 176.839 177.584 0.046 0.000 1.121 491 A CA -1.278 50.820 52.037 0.102 0.000 0.743 491 A CB 1.464 20.574 19.000 0.184 0.000 1.323 491 A HN 0.841 nan 8.150 nan 0.000 0.415 492 R N 1.060 121.586 120.500 0.044 0.000 2.473 492 R HA 0.433 4.774 4.340 0.001 0.000 0.303 492 R C -1.363 174.945 176.300 0.013 0.000 1.002 492 R CA -0.687 55.424 56.100 0.018 0.000 0.884 492 R CB 1.944 32.248 30.300 0.007 0.000 1.173 492 R HN 0.577 nan 8.270 nan 0.000 0.464 493 K N 0.760 121.160 120.400 -0.001 0.000 2.098 493 K HA 0.289 4.609 4.320 0.001 0.000 0.261 493 K C 0.041 176.633 176.600 -0.013 0.000 0.987 493 K CA -0.323 55.958 56.287 -0.010 0.000 0.916 493 K CB 1.637 34.126 32.500 -0.019 0.000 1.039 493 K HN 0.320 nan 8.250 nan 0.000 0.455 494 S N 1.613 117.304 115.700 -0.014 0.000 2.554 494 S HA 0.275 4.746 4.470 0.001 0.000 0.278 494 S C -0.985 173.609 174.600 -0.010 0.000 1.242 494 S CA -0.683 57.506 58.200 -0.018 0.000 1.051 494 S CB 0.431 63.618 63.200 -0.022 0.000 0.986 494 S HN 0.353 nan 8.310 nan 0.000 0.502 495 Q N 2.539 122.333 119.800 -0.010 0.000 2.394 495 Q HA 0.289 4.630 4.340 0.001 0.000 0.273 495 Q C -0.796 175.203 176.000 -0.001 0.000 1.089 495 Q CA -0.876 54.925 55.803 -0.005 0.000 0.812 495 Q CB 1.960 30.695 28.738 -0.007 0.000 1.353 495 Q HN 0.893 nan 8.270 nan 0.000 0.438 496 K N 0.459 120.862 120.400 0.005 0.000 2.561 496 K HA 0.013 4.334 4.320 0.001 0.000 0.280 496 K C -0.257 176.347 176.600 0.007 0.000 0.975 496 K CA 0.402 56.696 56.287 0.011 0.000 1.024 496 K CB 0.849 33.357 32.500 0.014 0.000 0.883 496 K HN 0.513 nan 8.250 nan 0.000 0.496 497 E N 3.328 123.535 120.200 0.012 0.000 2.191 497 E HA 0.288 4.639 4.350 0.001 0.000 0.278 497 E C -0.892 175.712 176.600 0.007 0.000 0.972 497 E CA -0.811 55.593 56.400 0.008 0.000 0.804 497 E CB 1.024 30.731 29.700 0.012 0.000 1.110 497 E HN 0.545 nan 8.360 nan 0.000 0.394 498 I N 4.938 125.508 120.570 -0.001 0.000 2.378 498 I HA 0.153 4.323 4.170 0.001 0.000 0.291 498 I C 0.683 176.791 176.117 -0.015 0.000 0.992 498 I CA -0.534 60.761 61.300 -0.008 0.000 1.154 498 I CB 1.697 39.690 38.000 -0.011 0.000 1.315 498 I HN 0.488 nan 8.210 nan 0.000 0.448 499 V N 1.739 121.639 119.914 -0.023 0.000 3.398 499 V HA 0.703 4.824 4.120 0.001 0.000 0.298 499 V C 0.390 176.450 176.094 -0.057 0.000 1.496 499 V CA 0.098 62.377 62.300 -0.034 0.000 1.044 499 V CB 0.216 32.022 31.823 -0.029 0.000 0.880 499 V HN 0.883 nan 8.190 nan 0.000 0.443 500 G N 0.307 109.068 108.800 -0.064 0.000 2.338 500 G HA2 0.302 4.263 3.960 0.001 0.000 0.295 500 G HA3 0.302 4.263 3.960 0.001 0.000 0.295 500 G C -1.842 172.999 174.900 -0.097 0.000 1.461 500 G CA -0.224 44.819 45.100 -0.094 0.000 0.817 500 G HN 0.144 nan 8.290 nan 0.000 0.556 501 N N 1.132 119.760 118.700 -0.121 0.000 2.752 501 N HA 0.280 5.021 4.740 0.001 0.000 0.260 501 N C -1.570 173.836 175.510 -0.172 0.000 1.562 501 N CA -1.517 51.464 53.050 -0.114 0.000 0.788 501 N CB 1.916 40.359 38.487 -0.074 0.000 1.192 501 N HN 0.232 nan 8.380 nan 0.000 0.503 502 P HA -0.069 nan 4.420 nan 0.000 0.217 502 P C 0.743 177.909 177.300 -0.224 0.000 1.150 502 P CA 1.095 63.927 63.100 -0.447 0.000 0.832 502 P CB 0.313 31.342 31.700 -1.118 0.000 0.787 503 V N -3.767 116.069 119.914 -0.131 0.000 3.141 503 V HA 0.695 4.816 4.120 0.001 0.000 0.312 503 V C 0.239 176.348 176.094 0.025 0.000 1.157 503 V CA -0.886 61.440 62.300 0.043 0.000 1.041 503 V CB 1.350 33.249 31.823 0.127 0.000 1.071 503 V HN 0.178 nan 8.190 nan 0.000 0.441 504 S N 0.695 116.423 115.700 0.048 0.000 2.617 504 S HA 0.246 4.716 4.470 0.001 0.000 0.259 504 S C 1.009 175.626 174.600 0.029 0.000 1.301 504 S CA 0.540 58.758 58.200 0.031 0.000 0.984 504 S CB 0.651 63.873 63.200 0.037 0.000 0.954 504 S HN 1.076 nan 8.310 nan 0.000 0.572 505 K N 0.058 120.471 120.400 0.021 0.000 2.057 505 K HA -0.138 4.183 4.320 0.001 0.000 0.206 505 K C 1.152 177.765 176.600 0.022 0.000 1.050 505 K CA 1.705 58.004 56.287 0.021 0.000 0.935 505 K CB -0.467 32.042 32.500 0.015 0.000 0.715 505 K HN 0.647 nan 8.250 nan 0.000 0.439 506 D N 0.445 120.859 120.400 0.022 0.000 2.117 506 D HA -0.106 4.535 4.640 0.001 0.000 0.198 506 D C 1.761 178.070 176.300 0.015 0.000 0.982 506 D CA 1.247 55.259 54.000 0.021 0.000 0.828 506 D CB -0.168 40.647 40.800 0.025 0.000 0.967 506 D HN 0.325 nan 8.370 nan 0.000 0.464 507 A N 1.066 123.896 122.820 0.016 0.000 1.902 507 A HA -0.074 4.247 4.320 0.001 0.000 0.217 507 A C 2.314 179.892 177.584 -0.011 0.000 1.181 507 A CA 2.290 54.326 52.037 -0.003 0.000 0.623 507 A CB -0.747 18.264 19.000 0.019 0.000 0.818 507 A HN 0.235 nan 8.150 nan 0.000 0.443 508 A N -0.367 122.467 122.820 0.023 0.000 1.902 508 A HA -0.054 4.267 4.320 0.001 0.000 0.217 508 A C 2.443 180.034 177.584 0.012 0.000 1.181 508 A CA 2.091 54.148 52.037 0.033 0.000 0.623 508 A CB -0.843 18.190 19.000 0.054 0.000 0.818 508 A HN 0.492 nan 8.150 nan 0.000 0.443 509 S N -0.039 115.667 115.700 0.010 0.000 2.344 509 S HA -0.127 4.343 4.470 0.001 0.000 0.217 509 S C 1.900 176.498 174.600 -0.002 0.000 1.033 509 S CA 1.315 59.521 58.200 0.010 0.000 1.017 509 S CB -0.668 62.541 63.200 0.015 0.000 0.941 509 S HN 0.493 nan 8.310 nan 0.000 0.430 510 L N 1.287 122.502 121.223 -0.013 0.000 2.081 510 L HA -0.190 4.151 4.340 0.001 0.000 0.212 510 L C 2.515 179.329 176.870 -0.092 0.000 1.080 510 L CA 1.465 56.289 54.840 -0.026 0.000 0.754 510 L CB -0.952 41.098 42.059 -0.015 0.000 0.893 510 L HN 0.383 nan 8.230 nan 0.000 0.433 511 T N -0.712 113.759 114.554 -0.139 0.000 2.684 511 T HA -0.237 4.113 4.350 0.001 0.000 0.267 511 T C 1.905 176.546 174.700 -0.097 0.000 1.036 511 T CA 1.386 63.358 62.100 -0.213 0.000 1.148 511 T CB -0.186 68.584 68.868 -0.163 0.000 0.863 511 T HN 0.367 nan 8.240 nan 0.000 0.436 512 R N 0.500 120.987 120.500 -0.021 0.000 2.096 512 R HA -0.056 4.285 4.340 0.001 0.000 0.235 512 R C 2.715 179.041 176.300 0.044 0.000 1.127 512 R CA 1.575 57.691 56.100 0.026 0.000 0.968 512 R CB -0.658 29.660 30.300 0.029 0.000 0.861 512 R HN 0.391 nan 8.270 nan 0.000 0.440 513 T N 0.716 115.288 114.554 0.030 0.000 2.746 513 T HA -0.105 4.246 4.350 0.001 0.000 0.267 513 T C 1.403 176.155 174.700 0.088 0.000 1.039 513 T CA 1.601 63.734 62.100 0.054 0.000 1.142 513 T CB -0.294 68.603 68.868 0.048 0.000 0.866 513 T HN 0.366 nan 8.240 nan 0.000 0.444 514 N N 0.490 119.229 118.700 0.064 0.000 2.270 514 N HA 0.123 4.864 4.740 0.001 0.000 0.181 514 N C 1.907 177.615 175.510 0.330 0.000 1.016 514 N CA 0.766 53.903 53.050 0.144 0.000 0.870 514 N CB -0.224 38.215 38.487 -0.080 0.000 0.979 514 N HN 0.289 nan 8.380 nan 0.000 0.431 515 M N -0.160 119.609 119.600 0.282 0.000 2.117 515 M HA -0.128 4.353 4.480 0.001 0.000 0.262 515 M C 1.826 178.244 176.300 0.196 0.000 1.065 515 M CA 1.018 56.515 55.300 0.327 0.000 1.114 515 M CB -0.098 32.631 32.600 0.215 0.000 1.361 515 M HN 0.044 nan 8.290 nan 0.000 0.408 516 V N 0.889 120.889 119.914 0.143 0.000 2.332 516 V HA -0.281 3.840 4.120 0.001 0.000 0.248 516 V C 2.246 178.421 176.094 0.133 0.000 1.055 516 V CA 1.647 64.013 62.300 0.110 0.000 1.038 516 V CB -0.531 31.343 31.823 0.085 0.000 0.651 516 V HN 0.460 nan 8.190 nan 0.000 0.450 517 L N -0.676 120.650 121.223 0.173 0.000 2.127 517 L HA -0.186 4.155 4.340 0.001 0.000 0.211 517 L C 2.413 179.406 176.870 0.206 0.000 1.089 517 L CA 0.993 55.951 54.840 0.197 0.000 0.757 517 L CB -0.623 41.573 42.059 0.227 0.000 0.899 517 L HN 0.200 nan 8.230 nan 0.000 0.434 518 V N 0.025 120.053 119.914 0.190 0.000 2.453 518 V HA -0.273 3.848 4.120 0.001 0.000 0.252 518 V C 2.336 178.505 176.094 0.124 0.000 1.068 518 V CA 2.128 64.505 62.300 0.128 0.000 1.070 518 V CB -0.865 30.989 31.823 0.052 0.000 0.664 518 V HN 0.622 nan 8.190 nan 0.000 0.461 519 G N -1.123 107.743 108.800 0.110 0.000 2.656 519 G HA2 -0.086 3.875 3.960 0.001 0.000 0.211 519 G HA3 -0.086 3.875 3.960 0.001 0.000 0.211 519 G C 1.622 176.578 174.900 0.093 0.000 1.137 519 G CA 1.007 46.147 45.100 0.067 0.000 0.802 519 G HN 0.561 nan 8.290 nan 0.000 0.527 520 T N -2.576 112.074 114.554 0.160 0.000 3.040 520 T HA 0.100 4.451 4.350 0.001 0.000 0.252 520 T C 0.727 175.647 174.700 0.368 0.000 1.064 520 T CA 0.121 62.345 62.100 0.206 0.000 1.110 520 T CB 0.133 69.081 68.868 0.133 0.000 0.921 520 T HN 0.027 nan 8.240 nan 0.000 0.480 521 D N 3.555 124.132 120.400 0.295 0.000 2.363 521 D HA 0.140 4.781 4.640 0.001 0.000 0.263 521 D C -1.666 174.660 176.300 0.043 0.000 1.258 521 D CA -1.880 52.248 54.000 0.212 0.000 0.907 521 D CB 1.785 42.731 40.800 0.243 0.000 1.107 521 D HN 0.108 nan 8.370 nan 0.000 0.495 522 P HA -0.080 nan 4.420 nan 0.000 0.221 522 P C 1.259 178.337 177.300 -0.369 0.000 1.150 522 P CA 0.369 63.024 63.100 -0.741 0.000 0.800 522 P CB 0.500 31.968 31.700 -0.387 0.000 0.787 523 V N -2.988 116.809 119.914 -0.194 0.000 3.085 523 V HA 0.005 4.126 4.120 0.001 0.000 0.245 523 V C 1.450 177.305 176.094 -0.398 0.000 1.114 523 V CA 1.329 63.427 62.300 -0.336 0.000 1.108 523 V CB -0.756 30.760 31.823 -0.512 0.000 0.798 523 V HN -0.004 nan 8.190 nan 0.000 0.471 524 Y N 0.380 120.737 120.300 0.094 0.000 2.430 524 Y HA 0.504 5.054 4.550 0.001 0.000 0.254 524 Y C 1.776 177.872 175.900 0.327 0.000 1.088 524 Y CA -0.271 57.958 58.100 0.215 0.000 1.267 524 Y CB 0.015 38.551 38.460 0.127 0.000 1.204 524 Y HN 0.201 nan 8.280 nan 0.000 0.515 525 G N 0.937 109.940 108.800 0.340 0.000 2.335 525 G HA2 0.191 4.152 3.960 0.001 0.000 0.268 525 G HA3 0.191 4.152 3.960 0.001 0.000 0.268 525 G C 1.009 176.053 174.900 0.240 0.000 1.228 525 G CA 0.393 45.658 45.100 0.275 0.000 0.968 525 G HN 0.364 nan 8.290 nan 0.000 0.459 526 T N 0.462 115.115 114.554 0.166 0.000 3.098 526 T HA -0.016 4.335 4.350 0.001 0.000 0.266 526 T C 1.555 176.273 174.700 0.029 0.000 1.145 526 T CA 0.788 62.925 62.100 0.063 0.000 1.092 526 T CB -0.058 68.771 68.868 -0.066 0.000 0.908 526 T HN 0.413 nan 8.240 nan 0.000 0.526 527 M N -0.207 119.432 119.600 0.065 0.000 2.502 527 M HA 0.344 4.824 4.480 0.001 0.000 0.351 527 M C -0.494 175.827 176.300 0.034 0.000 1.118 527 M CA -0.607 54.711 55.300 0.029 0.000 0.952 527 M CB 0.693 33.300 32.600 0.011 0.000 1.424 527 M HN 0.236 nan 8.290 nan 0.000 0.529 528 Y N 2.075 122.334 120.300 -0.069 0.000 2.402 528 Y HA 0.156 4.707 4.550 0.001 0.000 0.333 528 Y C 0.311 176.073 175.900 -0.230 0.000 1.076 528 Y CA -0.141 57.856 58.100 -0.171 0.000 1.299 528 Y CB 0.448 38.751 38.460 -0.262 0.000 1.197 528 Y HN 0.080 nan 8.280 nan 0.000 0.517 529 N N 5.446 124.000 118.700 -0.244 0.000 2.521 529 N HA 0.021 4.761 4.740 0.001 0.000 0.236 529 N C 0.557 176.062 175.510 -0.009 0.000 1.067 529 N CA 0.096 53.091 53.050 -0.091 0.000 0.939 529 N CB -0.015 38.399 38.487 -0.122 0.000 1.201 529 N HN 0.791 nan 8.380 nan 0.000 0.511 530 H N 1.175 120.415 119.070 0.284 0.000 2.518 530 H HA -0.033 4.524 4.556 0.001 0.000 0.289 530 H C 1.001 176.418 175.328 0.148 0.000 1.051 530 H CA 0.849 57.080 56.048 0.305 0.000 1.280 530 H CB 0.468 30.329 29.762 0.166 0.000 1.380 530 H HN 0.454 nan 8.280 nan 0.000 0.566 531 S N -0.165 115.637 115.700 0.170 0.000 2.428 531 S HA -0.077 4.394 4.470 0.001 0.000 0.230 531 S C 2.157 176.783 174.600 0.043 0.000 1.014 531 S CA 1.485 59.737 58.200 0.087 0.000 0.957 531 S CB 0.073 63.302 63.200 0.048 0.000 0.784 531 S HN 0.697 nan 8.310 nan 0.000 0.499 532 T N -3.577 110.979 114.554 0.004 0.000 2.975 532 T HA 0.460 4.811 4.350 0.001 0.000 0.261 532 T C 1.493 176.146 174.700 -0.079 0.000 0.984 532 T CA 0.809 62.884 62.100 -0.041 0.000 0.911 532 T CB 0.478 69.304 68.868 -0.070 0.000 1.127 532 T HN 0.426 nan 8.240 nan 0.000 0.514 533 G N 1.857 110.585 108.800 -0.120 0.000 2.212 533 G HA2 -0.282 3.679 3.960 0.001 0.000 0.266 533 G HA3 -0.282 3.679 3.960 0.001 0.000 0.266 533 G C -0.001 174.595 174.900 -0.507 0.000 0.978 533 G CA 0.578 45.559 45.100 -0.197 0.000 0.632 533 G HN 0.711 nan 8.290 nan 0.000 0.537 534 K N 1.008 121.159 120.400 -0.415 0.000 2.095 534 K HA 0.545 4.865 4.320 0.001 0.000 0.252 534 K C -2.397 173.937 176.600 -0.445 0.000 0.977 534 K CA -2.229 53.844 56.287 -0.357 0.000 0.900 534 K CB 1.170 33.557 32.500 -0.188 0.000 1.060 534 K HN -0.041 nan 8.250 nan 0.000 0.449 535 P HA -0.113 nan 4.420 nan 0.000 0.269 535 P C 0.535 177.739 177.300 -0.159 0.000 1.211 535 P CA 0.236 63.207 63.100 -0.215 0.000 0.781 535 P CB 0.392 32.026 31.700 -0.111 0.000 0.877 536 T N -1.987 112.499 114.554 -0.113 0.000 2.904 536 T HA 0.000 4.351 4.350 0.001 0.000 0.267 536 T C 0.694 175.349 174.700 -0.075 0.000 1.059 536 T CA 0.783 62.829 62.100 -0.090 0.000 1.137 536 T CB -0.273 68.550 68.868 -0.074 0.000 0.879 536 T HN 0.144 nan 8.240 nan 0.000 0.467 537 V N 1.299 121.178 119.914 -0.058 0.000 2.350 537 V HA 0.679 4.800 4.120 0.001 0.000 0.285 537 V C -0.278 175.793 176.094 -0.039 0.000 1.014 537 V CA -0.494 61.780 62.300 -0.044 0.000 0.831 537 V CB 1.214 33.026 31.823 -0.019 0.000 1.000 537 V HN 0.495 nan 8.190 nan 0.000 0.433 538 T N 3.797 118.326 114.554 -0.043 0.000 2.840 538 T HA 0.620 4.970 4.350 0.001 0.000 0.317 538 T C -1.565 173.119 174.700 -0.026 0.000 1.401 538 T CA -0.281 61.799 62.100 -0.034 0.000 1.028 538 T CB 1.888 70.726 68.868 -0.051 0.000 1.317 538 T HN 0.273 nan 8.240 nan 0.000 0.495 539 V N 4.469 124.377 119.914 -0.009 0.000 2.448 539 V HA 0.476 4.597 4.120 0.001 0.000 0.295 539 V C -2.299 173.792 176.094 -0.005 0.000 1.025 539 V CA -2.016 60.283 62.300 -0.002 0.000 0.859 539 V CB 1.275 33.112 31.823 0.023 0.000 0.988 539 V HN 0.747 nan 8.190 nan 0.000 0.431 540 P HA 0.198 nan 4.420 nan 0.000 0.264 540 P C 0.875 178.174 177.300 -0.002 0.000 1.183 540 P CA 1.159 64.252 63.100 -0.011 0.000 0.763 540 P CB 0.501 32.193 31.700 -0.014 0.000 0.807 541 G N 1.304 110.103 108.800 -0.002 0.000 2.198 541 G HA2 -0.244 3.717 3.960 0.001 0.000 0.257 541 G HA3 -0.244 3.717 3.960 0.001 0.000 0.257 541 G C -0.220 174.686 174.900 0.010 0.000 1.042 541 G CA -0.230 44.872 45.100 0.004 0.000 0.791 541 G HN 0.617 nan 8.290 nan 0.000 0.502 542 Q N -1.007 118.799 119.800 0.010 0.000 2.386 542 Q HA 0.249 4.589 4.340 0.001 0.000 0.274 542 Q C -1.093 174.917 176.000 0.016 0.000 1.011 542 Q CA -1.016 54.797 55.803 0.017 0.000 0.867 542 Q CB 1.170 29.924 28.738 0.028 0.000 1.409 542 Q HN 0.206 nan 8.270 nan 0.000 0.395 543 N N 0.955 119.667 118.700 0.021 0.000 2.488 543 N HA 0.320 5.061 4.740 0.001 0.000 0.274 543 N C -1.036 174.492 175.510 0.029 0.000 1.111 543 N CA 0.028 53.093 53.050 0.024 0.000 0.974 543 N CB 1.378 39.883 38.487 0.029 0.000 1.089 543 N HN 0.195 nan 8.380 nan 0.000 0.465 544 V N 1.033 120.964 119.914 0.029 0.000 2.444 544 V HA 0.519 4.639 4.120 0.001 0.000 0.294 544 V C 0.256 176.374 176.094 0.041 0.000 1.022 544 V CA -1.337 60.983 62.300 0.034 0.000 0.850 544 V CB 1.237 33.075 31.823 0.025 0.000 0.992 544 V HN 0.715 nan 8.190 nan 0.000 0.426 545 A N 6.582 129.428 122.820 0.044 0.000 2.451 545 A HA 0.705 5.025 4.320 0.001 0.000 0.266 545 A C -0.441 177.169 177.584 0.043 0.000 1.119 545 A CA 0.116 52.185 52.037 0.054 0.000 0.786 545 A CB -0.068 18.960 19.000 0.047 0.000 1.061 545 A HN 0.822 nan 8.150 nan 0.000 0.503 546 L N 2.441 123.702 121.223 0.062 0.000 2.354 546 L HA 0.661 5.002 4.340 0.001 0.000 0.264 546 L C -0.075 176.822 176.870 0.045 0.000 1.008 546 L CA -0.908 53.955 54.840 0.039 0.000 0.819 546 L CB 2.237 44.316 42.059 0.034 0.000 1.339 546 L HN 0.544 nan 8.230 nan 0.000 0.420 547 K N 1.540 121.946 120.400 0.010 0.000 2.553 547 K HA 0.358 4.679 4.320 0.001 0.000 0.250 547 K C -0.942 175.665 176.600 0.013 0.000 0.953 547 K CA -0.305 55.970 56.287 -0.019 0.000 0.800 547 K CB 2.222 34.727 32.500 0.009 0.000 1.243 547 K HN 0.731 nan 8.250 nan 0.000 0.435 548 S N 0.990 116.684 115.700 -0.010 0.000 2.632 548 S HA 0.819 5.290 4.470 0.001 0.000 0.267 548 S C 0.345 174.973 174.600 0.046 0.000 1.276 548 S CA -0.502 57.718 58.200 0.033 0.000 0.998 548 S CB 1.605 64.800 63.200 -0.008 0.000 0.953 548 S HN 0.601 nan 8.310 nan 0.000 0.547 549 G N 0.508 109.362 108.800 0.091 0.000 2.719 549 G HA2 0.575 4.536 3.960 0.001 0.000 0.298 549 G HA3 0.575 4.536 3.960 0.001 0.000 0.298 549 G C -1.176 173.751 174.900 0.045 0.000 1.433 549 G CA -0.707 44.445 45.100 0.087 0.000 1.034 549 G HN 0.776 nan 8.290 nan 0.000 0.517 550 T N 0.339 114.879 114.554 -0.024 0.000 2.856 550 T HA 0.788 5.139 4.350 0.001 0.000 0.283 550 T C -0.173 174.486 174.700 -0.070 0.000 1.008 550 T CA -0.368 61.644 62.100 -0.147 0.000 0.997 550 T CB 1.948 70.663 68.868 -0.255 0.000 0.992 550 T HN 1.176 nan 8.240 nan 0.000 0.454 551 A N 2.634 125.406 122.820 -0.079 0.000 2.398 551 A HA 0.626 4.947 4.320 0.001 0.000 0.301 551 A C -0.511 177.095 177.584 0.037 0.000 1.041 551 A CA -0.915 51.125 52.037 0.006 0.000 0.711 551 A CB 1.137 20.160 19.000 0.039 0.000 1.240 551 A HN 0.776 nan 8.150 nan 0.000 0.420 552 Q N 1.014 120.779 119.800 -0.057 0.000 2.352 552 Q HA 0.422 4.762 4.340 0.001 0.000 0.260 552 Q C -0.761 175.189 176.000 -0.083 0.000 0.976 552 Q CA 0.408 56.091 55.803 -0.199 0.000 0.881 552 Q CB 1.114 29.468 28.738 -0.641 0.000 1.235 552 Q HN 0.659 nan 8.270 nan 0.000 0.419 553 I N 1.634 122.203 120.570 -0.001 0.000 2.392 553 I HA 0.350 4.521 4.170 0.001 0.000 0.295 553 I C 0.126 176.405 176.117 0.270 0.000 0.985 553 I CA -0.761 60.610 61.300 0.118 0.000 1.221 553 I CB 1.528 39.533 38.000 0.009 0.000 1.366 553 I HN 0.603 nan 8.210 nan 0.000 0.467 554 A N 4.351 127.313 122.820 0.236 0.000 2.462 554 A HA 0.080 4.401 4.320 0.001 0.000 0.243 554 A C -0.152 177.429 177.584 -0.004 0.000 1.076 554 A CA -0.120 51.940 52.037 0.038 0.000 0.773 554 A CB 0.115 19.076 19.000 -0.064 0.000 1.010 554 A HN 0.729 nan 8.150 nan 0.000 0.493 555 D N 1.565 121.931 120.400 -0.056 0.000 2.347 555 D HA 0.139 4.780 4.640 0.001 0.000 0.235 555 D C 0.875 177.144 176.300 -0.051 0.000 1.149 555 D CA -0.259 53.717 54.000 -0.041 0.000 0.850 555 D CB 0.709 41.486 40.800 -0.038 0.000 1.061 555 D HN 0.528 nan 8.370 nan 0.000 0.487 556 E N 3.840 124.020 120.200 -0.033 0.000 2.051 556 E HA -0.170 4.180 4.350 0.001 0.000 0.192 556 E C 1.381 177.964 176.600 -0.030 0.000 0.991 556 E CA 1.164 57.546 56.400 -0.030 0.000 0.799 556 E CB 0.115 29.804 29.700 -0.018 0.000 0.748 556 E HN 0.589 nan 8.360 nan 0.000 0.449 557 K N 1.162 121.547 120.400 -0.024 0.000 1.975 557 K HA -0.012 4.309 4.320 0.001 0.000 0.217 557 K C 1.789 178.374 176.600 -0.026 0.000 1.037 557 K CA 1.078 57.352 56.287 -0.021 0.000 0.971 557 K CB -0.278 32.212 32.500 -0.016 0.000 0.749 557 K HN -0.040 nan 8.250 nan 0.000 0.444 558 N N 0.827 119.512 118.700 -0.025 0.000 2.573 558 N HA 0.007 4.748 4.740 0.001 0.000 0.187 558 N C 0.720 176.209 175.510 -0.035 0.000 1.107 558 N CA 1.059 54.094 53.050 -0.025 0.000 0.918 558 N CB -0.034 38.442 38.487 -0.018 0.000 0.966 558 N HN 0.502 nan 8.380 nan 0.000 0.448 559 G N -0.463 108.306 108.800 -0.051 0.000 2.829 559 G HA2 0.220 4.181 3.960 0.001 0.000 0.628 559 G HA3 0.220 4.181 3.960 0.001 0.000 0.628 559 G C 0.268 175.107 174.900 -0.102 0.000 1.412 559 G CA -0.173 44.880 45.100 -0.079 0.000 0.864 559 G HN 0.760 nan 8.290 nan 0.000 0.544 560 G N -0.974 107.723 108.800 -0.172 0.000 2.645 560 G HA2 0.165 4.126 3.960 0.001 0.000 0.246 560 G HA3 0.165 4.126 3.960 0.001 0.000 0.246 560 G C -0.123 174.590 174.900 -0.312 0.000 1.322 560 G CA 0.635 45.595 45.100 -0.235 0.000 0.898 560 G HN 1.886 nan 8.290 nan 0.000 0.573 561 Y N -0.418 119.882 120.300 0.001 0.000 2.387 561 Y HA 0.640 5.190 4.550 0.001 0.000 0.330 561 Y C 1.314 177.189 175.900 -0.042 0.000 1.133 561 Y CA -0.850 57.240 58.100 -0.016 0.000 1.152 561 Y CB 1.140 39.602 38.460 0.004 0.000 1.215 561 Y HN 0.576 nan 8.280 nan 0.000 0.466 562 L N 2.013 123.300 121.223 0.108 0.000 2.483 562 L HA 0.072 4.413 4.340 0.001 0.000 0.275 562 L C 0.506 177.343 176.870 -0.054 0.000 1.220 562 L CA 0.060 54.895 54.840 -0.009 0.000 0.833 562 L CB 0.344 42.363 42.059 -0.067 0.000 1.102 562 L HN 0.580 nan 8.230 nan 0.000 0.490 563 V N 0.555 120.439 119.914 -0.050 0.000 3.502 563 V HA 0.148 4.269 4.120 0.001 0.000 0.288 563 V C 1.056 177.131 176.094 -0.032 0.000 1.461 563 V CA 0.164 62.448 62.300 -0.026 0.000 1.029 563 V CB 0.295 32.130 31.823 0.021 0.000 0.843 563 V HN 0.897 nan 8.190 nan 0.000 0.438 564 G N -0.050 108.712 108.800 -0.063 0.000 2.559 564 G HA2 0.219 4.179 3.960 0.001 0.000 0.235 564 G HA3 0.219 4.179 3.960 0.001 0.000 0.235 564 G C 0.813 175.711 174.900 -0.003 0.000 1.266 564 G CA -0.204 44.876 45.100 -0.033 0.000 0.847 564 G HN 0.279 nan 8.290 nan 0.000 0.583 565 L N 0.339 121.605 121.223 0.071 0.000 2.353 565 L HA -0.009 4.331 4.340 0.001 0.000 0.220 565 L C 2.053 179.086 176.870 0.270 0.000 1.133 565 L CA 1.718 56.660 54.840 0.170 0.000 0.798 565 L CB -0.083 42.052 42.059 0.126 0.000 0.922 565 L HN 0.722 nan 8.230 nan 0.000 0.445 566 T N -5.900 108.750 114.554 0.160 0.000 3.633 566 T HA 0.196 4.547 4.350 0.001 0.000 0.278 566 T C -0.119 174.602 174.700 0.034 0.000 0.991 566 T CA -0.572 61.669 62.100 0.236 0.000 1.036 566 T CB -0.054 68.917 68.868 0.173 0.000 1.148 566 T HN -0.124 nan 8.240 nan 0.000 0.501 567 D N 2.036 122.283 120.400 -0.255 0.000 2.973 567 D HA 0.317 4.958 4.640 0.001 0.000 0.263 567 D C -0.866 174.950 176.300 -0.806 0.000 1.266 567 D CA -0.058 53.694 54.000 -0.413 0.000 0.975 567 D CB 0.172 40.763 40.800 -0.349 0.000 1.032 567 D HN 0.500 nan 8.370 nan 0.000 0.510 568 Y N -0.657 119.489 120.300 -0.257 0.000 2.576 568 Y HA 0.461 5.012 4.550 0.001 0.000 0.346 568 Y C 0.407 175.988 175.900 -0.531 0.000 1.018 568 Y CA -1.098 56.694 58.100 -0.513 0.000 1.050 568 Y CB 1.696 39.554 38.460 -1.004 0.000 1.280 568 Y HN -0.106 nan 8.280 nan 0.000 0.474 569 I N 3.159 123.565 120.570 -0.274 0.000 2.297 569 I HA 0.219 4.389 4.170 0.001 0.000 0.291 569 I C -1.172 174.731 176.117 -0.357 0.000 1.033 569 I CA -0.295 60.863 61.300 -0.237 0.000 1.253 569 I CB 0.223 38.171 38.000 -0.087 0.000 1.396 569 I HN 0.353 nan 8.210 nan 0.000 0.476 570 F N 5.206 125.028 119.950 -0.213 0.000 2.411 570 F HA 0.349 4.876 4.527 0.001 0.000 0.355 570 F C 0.871 176.532 175.800 -0.231 0.000 1.117 570 F CA -0.221 57.578 58.000 -0.335 0.000 1.139 570 F CB 1.186 39.628 39.000 -0.929 0.000 1.120 570 F HN 0.443 nan 8.300 nan 0.000 0.493 571 S N 2.346 118.100 115.700 0.089 0.000 2.704 571 S HA 0.995 5.466 4.470 0.001 0.000 0.296 571 S C -0.946 173.771 174.600 0.196 0.000 1.138 571 S CA -0.632 57.638 58.200 0.116 0.000 0.875 571 S CB 2.177 65.470 63.200 0.155 0.000 1.151 571 S HN 1.013 nan 8.310 nan 0.000 0.500 572 A N -0.058 122.897 122.820 0.225 0.000 2.604 572 A HA 0.791 5.111 4.320 0.001 0.000 0.295 572 A C -1.454 176.289 177.584 0.266 0.000 1.067 572 A CA -0.563 51.602 52.037 0.213 0.000 0.683 572 A CB 1.406 20.506 19.000 0.167 0.000 1.281 572 A HN 1.810 nan 8.150 nan 0.000 0.407 573 V N 1.727 121.716 119.914 0.126 0.000 2.638 573 V HA 0.815 4.936 4.120 0.001 0.000 0.306 573 V C -0.416 175.643 176.094 -0.057 0.000 1.052 573 V CA 0.301 62.588 62.300 -0.021 0.000 0.885 573 V CB 2.039 33.570 31.823 -0.487 0.000 0.999 573 V HN 1.758 nan 8.190 nan 0.000 0.424 574 S N 6.921 122.608 115.700 -0.022 0.000 2.513 574 S HA 0.825 5.295 4.470 0.001 0.000 0.299 574 S C -0.806 173.796 174.600 0.004 0.000 1.087 574 S CA -0.848 57.352 58.200 0.000 0.000 1.012 574 S CB 1.790 65.012 63.200 0.036 0.000 1.044 574 S HN 0.719 nan 8.310 nan 0.000 0.485 575 M N 3.269 122.877 119.600 0.014 0.000 2.053 575 M HA 0.400 4.880 4.480 0.001 0.000 0.297 575 M C -0.743 175.592 176.300 0.057 0.000 0.921 575 M CA -0.371 54.950 55.300 0.037 0.000 0.918 575 M CB 2.084 34.690 32.600 0.010 0.000 1.499 575 M HN 0.890 nan 8.290 nan 0.000 0.422 576 S N 2.934 118.692 115.700 0.096 0.000 2.557 576 S HA 0.828 5.299 4.470 0.001 0.000 0.291 576 S C -3.079 171.558 174.600 0.062 0.000 1.116 576 S CA -1.560 56.696 58.200 0.094 0.000 0.992 576 S CB 1.904 65.183 63.200 0.132 0.000 1.028 576 S HN 0.252 nan 8.310 nan 0.000 0.484 577 P HA 0.380 nan 4.420 nan 0.000 0.276 577 P C 0.654 177.966 177.300 0.020 0.000 1.252 577 P CA -0.529 62.586 63.100 0.024 0.000 0.802 577 P CB 0.555 32.260 31.700 0.009 0.000 1.035 578 A N 1.235 124.070 122.820 0.026 0.000 1.930 578 A HA -0.175 4.145 4.320 0.001 0.000 0.217 578 A C 1.767 179.364 177.584 0.023 0.000 1.175 578 A CA 1.654 53.709 52.037 0.029 0.000 0.627 578 A CB -1.128 17.893 19.000 0.036 0.000 0.815 578 A HN 0.523 nan 8.150 nan 0.000 0.443 579 E N -0.394 119.817 120.200 0.018 0.000 2.072 579 E HA -0.026 4.324 4.350 0.001 0.000 0.190 579 E C 0.492 177.096 176.600 0.007 0.000 0.982 579 E CA 1.101 57.510 56.400 0.014 0.000 0.803 579 E CB 0.012 29.720 29.700 0.013 0.000 0.755 579 E HN 0.539 nan 8.360 nan 0.000 0.453 580 N N 0.101 118.800 118.700 -0.002 0.000 2.640 580 N HA 0.210 4.951 4.740 0.001 0.000 0.262 580 N C -2.975 172.517 175.510 -0.031 0.000 1.174 580 N CA -2.233 50.809 53.050 -0.013 0.000 0.791 580 N CB 0.962 39.438 38.487 -0.018 0.000 1.279 580 N HN -0.244 nan 8.380 nan 0.000 0.535 581 P HA 0.189 nan 4.420 nan 0.000 0.268 581 P C -0.134 177.103 177.300 -0.105 0.000 1.204 581 P CA 0.023 63.101 63.100 -0.037 0.000 0.768 581 P CB 1.165 32.866 31.700 0.002 0.000 0.842 582 D N 1.064 121.332 120.400 -0.221 0.000 2.431 582 D HA 0.107 4.747 4.640 0.001 0.000 0.235 582 D C 0.087 176.071 176.300 -0.525 0.000 0.980 582 D CA 1.105 54.817 54.000 -0.480 0.000 0.912 582 D CB 0.182 40.483 40.800 -0.831 0.000 1.056 582 D HN 0.267 nan 8.370 nan 0.000 0.494 583 F N 0.757 120.729 119.950 0.037 0.000 2.495 583 F HA 0.491 5.018 4.527 0.001 0.000 0.327 583 F C 0.163 175.989 175.800 0.043 0.000 1.103 583 F CA -0.972 57.055 58.000 0.045 0.000 0.949 583 F CB 1.565 40.588 39.000 0.038 0.000 1.142 583 F HN -0.325 nan 8.300 nan 0.000 0.457 584 I N 4.202 124.926 120.570 0.256 0.000 2.406 584 I HA 0.449 4.620 4.170 0.001 0.000 0.290 584 I C -1.208 175.021 176.117 0.186 0.000 0.999 584 I CA -0.881 60.519 61.300 0.167 0.000 1.124 584 I CB 1.890 39.978 38.000 0.146 0.000 1.289 584 I HN 0.367 nan 8.210 nan 0.000 0.441 585 L N 7.443 128.755 121.223 0.148 0.000 2.341 585 L HA 0.542 4.883 4.340 0.001 0.000 0.278 585 L C -1.663 175.355 176.870 0.247 0.000 1.005 585 L CA -0.436 54.508 54.840 0.174 0.000 0.818 585 L CB 1.439 43.566 42.059 0.113 0.000 1.259 585 L HN 0.466 nan 8.230 nan 0.000 0.418 586 Y N 5.188 125.572 120.300 0.141 0.000 2.332 586 Y HA 0.685 5.236 4.550 0.001 0.000 0.326 586 Y C -1.383 174.621 175.900 0.172 0.000 0.978 586 Y CA -1.168 57.036 58.100 0.174 0.000 1.205 586 Y CB 1.491 40.122 38.460 0.284 0.000 1.131 586 Y HN 0.379 nan 8.280 nan 0.000 0.462 587 V N 5.232 125.154 119.914 0.012 0.000 2.513 587 V HA 0.679 4.800 4.120 0.001 0.000 0.299 587 V C -0.266 175.690 176.094 -0.230 0.000 1.035 587 V CA -0.586 61.671 62.300 -0.071 0.000 0.889 587 V CB 1.875 33.751 31.823 0.088 0.000 0.988 587 V HN 0.817 nan 8.190 nan 0.000 0.440 588 T N 0.946 115.347 114.554 -0.256 0.000 2.893 588 T HA 0.796 5.146 4.350 0.001 0.000 0.293 588 T C -1.019 173.587 174.700 -0.156 0.000 1.027 588 T CA -0.726 61.233 62.100 -0.236 0.000 0.988 588 T CB 1.771 70.416 68.868 -0.372 0.000 1.043 588 T HN 0.338 nan 8.240 nan 0.000 0.461 589 V N 2.998 122.830 119.914 -0.137 0.000 2.483 589 V HA 0.487 4.607 4.120 0.001 0.000 0.297 589 V C -0.271 175.764 176.094 -0.097 0.000 1.027 589 V CA -0.766 61.444 62.300 -0.151 0.000 0.855 589 V CB 1.501 33.184 31.823 -0.232 0.000 0.995 589 V HN 1.030 nan 8.190 nan 0.000 0.424 590 Q N 3.495 123.251 119.800 -0.073 0.000 2.314 590 Q HA 0.450 4.791 4.340 0.001 0.000 0.259 590 Q C -0.358 175.632 176.000 -0.016 0.000 0.951 590 Q CA -0.355 55.429 55.803 -0.031 0.000 0.909 590 Q CB 0.808 29.566 28.738 0.033 0.000 1.236 590 Q HN 0.748 nan 8.270 nan 0.000 0.444 591 Q N 2.126 121.931 119.800 0.008 0.000 2.459 591 Q HA -0.168 4.173 4.340 0.001 0.000 0.322 591 Q C -2.352 173.643 176.000 -0.008 0.000 1.427 591 Q CA 0.231 56.041 55.803 0.012 0.000 0.861 591 Q CB -1.001 27.718 28.738 -0.031 0.000 1.137 591 Q HN 0.537 nan 8.270 nan 0.000 0.394 592 P HA 0.055 nan 4.420 nan 0.000 0.278 592 P C 0.157 177.408 177.300 -0.082 0.000 1.258 592 P CA -0.184 62.881 63.100 -0.059 0.000 0.811 592 P CB 0.915 32.579 31.700 -0.060 0.000 1.063 593 E N -0.090 119.980 120.200 -0.216 0.000 2.001 593 E HA -0.106 4.244 4.350 0.001 0.000 0.193 593 E C 0.568 176.952 176.600 -0.359 0.000 0.994 593 E CA 1.163 57.344 56.400 -0.365 0.000 0.815 593 E CB -0.196 29.128 29.700 -0.627 0.000 0.770 593 E HN 0.634 nan 8.360 nan 0.000 0.453 594 H N -1.985 117.072 119.070 -0.021 0.000 2.567 594 H HA 0.456 5.013 4.556 0.001 0.000 0.345 594 H C -1.193 174.118 175.328 -0.029 0.000 1.169 594 H CA -0.722 55.307 56.048 -0.030 0.000 1.227 594 H CB 1.420 31.157 29.762 -0.042 0.000 1.607 594 H HN 0.129 nan 8.280 nan 0.000 0.534 595 Y N 0.923 121.146 120.300 -0.129 0.000 2.314 595 Y HA 0.261 4.812 4.550 0.001 0.000 0.317 595 Y C -1.483 174.250 175.900 -0.279 0.000 1.234 595 Y CA -0.545 57.386 58.100 -0.282 0.000 1.111 595 Y CB 1.451 39.538 38.460 -0.621 0.000 1.283 595 Y HN 0.924 nan 8.280 nan 0.000 0.418 596 S N 2.274 117.533 115.700 -0.735 0.000 2.671 596 S HA 0.651 5.121 4.470 0.001 0.000 0.299 596 S C 0.826 174.975 174.600 -0.752 0.000 1.116 596 S CA -0.342 57.499 58.200 -0.598 0.000 0.912 596 S CB 1.549 64.578 63.200 -0.287 0.000 1.130 596 S HN 1.193 nan 8.310 nan 0.000 0.501 597 G N 0.407 108.950 108.800 -0.429 0.000 2.471 597 G HA2 -0.022 3.939 3.960 0.001 0.000 0.219 597 G HA3 -0.022 3.939 3.960 0.001 0.000 0.219 597 G C 1.011 175.788 174.900 -0.206 0.000 1.125 597 G CA 0.611 45.544 45.100 -0.278 0.000 0.775 597 G HN 0.639 nan 8.290 nan 0.000 0.548 598 I N 0.510 120.968 120.570 -0.186 0.000 2.439 598 I HA -0.083 4.088 4.170 0.001 0.000 0.251 598 I C 2.604 178.652 176.117 -0.114 0.000 1.139 598 I CA 0.788 62.014 61.300 -0.123 0.000 1.438 598 I CB -1.262 36.682 38.000 -0.093 0.000 1.085 598 I HN 0.296 nan 8.210 nan 0.000 0.427 599 Q N 0.240 119.956 119.800 -0.140 0.000 2.230 599 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 599 Q C 2.260 178.256 176.000 -0.007 0.000 0.963 599 Q CA 0.915 56.704 55.803 -0.023 0.000 0.866 599 Q CB -0.067 28.679 28.738 0.013 0.000 0.931 599 Q HN 0.358 nan 8.270 nan 0.000 0.452 600 L N 0.177 121.323 121.223 -0.129 0.000 2.044 600 L HA 0.010 4.351 4.340 0.001 0.000 0.205 600 L C 2.086 178.849 176.870 -0.178 0.000 1.075 600 L CA 2.212 56.948 54.840 -0.173 0.000 0.747 600 L CB -1.058 40.977 42.059 -0.041 0.000 0.903 600 L HN 0.130 nan 8.230 nan 0.000 0.435 601 G N -0.789 107.938 108.800 -0.122 0.000 2.513 601 G HA2 -0.334 3.627 3.960 0.001 0.000 0.219 601 G HA3 -0.334 3.627 3.960 0.001 0.000 0.219 601 G C 1.419 176.252 174.900 -0.113 0.000 1.160 601 G CA 1.066 46.106 45.100 -0.101 0.000 0.767 601 G HN 0.574 nan 8.290 nan 0.000 0.571 602 E N -0.567 119.571 120.200 -0.103 0.000 2.118 602 E HA -0.146 4.204 4.350 0.001 0.000 0.195 602 E C 2.051 178.577 176.600 -0.123 0.000 0.992 602 E CA 1.043 57.393 56.400 -0.083 0.000 0.804 602 E CB -0.222 29.458 29.700 -0.034 0.000 0.741 602 E HN 0.556 nan 8.360 nan 0.000 0.458 603 F N 0.978 120.686 119.950 -0.403 0.000 2.128 603 F HA -0.024 4.504 4.527 0.001 0.000 0.295 603 F C 2.135 177.718 175.800 -0.362 0.000 1.100 603 F CA 1.337 59.032 58.000 -0.509 0.000 1.260 603 F CB -0.258 38.064 39.000 -1.129 0.000 1.009 603 F HN -0.059 nan 8.300 nan 0.000 0.476 604 A N 0.790 123.422 122.820 -0.313 0.000 1.854 604 A HA -0.117 4.204 4.320 0.001 0.000 0.214 604 A C 2.034 179.468 177.584 -0.251 0.000 1.192 604 A CA 1.561 53.424 52.037 -0.290 0.000 0.611 604 A CB -1.021 17.941 19.000 -0.064 0.000 0.832 604 A HN 0.491 nan 8.150 nan 0.000 0.442 605 N N 0.458 119.061 118.700 -0.162 0.000 2.036 605 N HA -0.126 4.615 4.740 0.001 0.000 0.195 605 N C -0.750 174.710 175.510 -0.083 0.000 1.037 605 N CA 1.989 54.977 53.050 -0.103 0.000 0.855 605 N CB -1.958 36.484 38.487 -0.075 0.000 1.033 605 N HN 0.299 nan 8.380 nan 0.000 0.423 606 P HA -0.070 nan 4.420 nan 0.000 0.216 606 P C 1.599 178.989 177.300 0.150 0.000 1.150 606 P CA 0.910 64.048 63.100 0.064 0.000 0.843 606 P CB 0.001 31.793 31.700 0.153 0.000 0.787 607 I N -1.316 119.232 120.570 -0.036 0.000 2.113 607 I HA -0.225 3.946 4.170 0.001 0.000 0.238 607 I C 2.358 178.408 176.117 -0.111 0.000 1.070 607 I CA 1.395 62.655 61.300 -0.066 0.000 1.332 607 I CB -0.822 36.966 38.000 -0.353 0.000 1.044 607 I HN -0.124 nan 8.210 nan 0.000 0.402 608 L N 0.364 121.501 121.223 -0.143 0.000 2.127 608 L HA -0.229 4.112 4.340 0.001 0.000 0.211 608 L C 2.531 179.346 176.870 -0.092 0.000 1.089 608 L CA 1.448 56.206 54.840 -0.135 0.000 0.757 608 L CB -0.612 41.406 42.059 -0.068 0.000 0.899 608 L HN 0.352 nan 8.230 nan 0.000 0.434 609 E N -0.081 120.085 120.200 -0.057 0.000 2.028 609 E HA -0.207 4.143 4.350 0.001 0.000 0.191 609 E C 2.329 178.896 176.600 -0.055 0.000 0.988 609 E CA 0.929 57.307 56.400 -0.037 0.000 0.799 609 E CB -0.022 29.659 29.700 -0.031 0.000 0.755 609 E HN 0.359 nan 8.360 nan 0.000 0.447 610 R N 0.496 120.951 120.500 -0.075 0.000 2.105 610 R HA -0.141 4.200 4.340 0.001 0.000 0.239 610 R C 2.301 178.536 176.300 -0.109 0.000 1.135 610 R CA 1.234 57.270 56.100 -0.106 0.000 0.967 610 R CB -0.294 29.909 30.300 -0.163 0.000 0.861 610 R HN 0.130 nan 8.270 nan 0.000 0.442 611 A N -0.111 122.590 122.820 -0.197 0.000 1.883 611 A HA -0.194 4.127 4.320 0.001 0.000 0.217 611 A C 2.198 179.701 177.584 -0.135 0.000 1.186 611 A CA 1.992 53.778 52.037 -0.420 0.000 0.624 611 A CB -0.609 17.798 19.000 -0.989 0.000 0.822 611 A HN 0.272 nan 8.150 nan 0.000 0.444 612 S N -0.581 115.136 115.700 0.029 0.000 2.355 612 S HA 0.044 4.515 4.470 0.001 0.000 0.222 612 S C 2.011 176.690 174.600 0.132 0.000 1.031 612 S CA 0.927 59.267 58.200 0.233 0.000 0.993 612 S CB -0.374 62.925 63.200 0.164 0.000 0.859 612 S HN 0.794 nan 8.310 nan 0.000 0.453 613 A N -0.003 122.846 122.820 0.049 0.000 2.263 613 A HA 0.212 4.533 4.320 0.001 0.000 0.205 613 A C 1.422 179.022 177.584 0.027 0.000 1.226 613 A CA 0.729 52.780 52.037 0.023 0.000 0.810 613 A CB -0.487 18.504 19.000 -0.015 0.000 0.784 613 A HN 0.524 nan 8.150 nan 0.000 0.486 614 M N -2.340 117.298 119.600 0.063 0.000 2.268 614 M HA 0.155 4.636 4.480 0.001 0.000 0.355 614 M C 1.511 177.885 176.300 0.122 0.000 0.938 614 M CA -0.026 55.313 55.300 0.066 0.000 1.025 614 M CB 0.461 33.082 32.600 0.036 0.000 1.773 614 M HN 0.351 nan 8.290 nan 0.000 0.613 615 K N 1.397 121.902 120.400 0.175 0.000 2.107 615 K HA -0.257 4.064 4.320 0.001 0.000 0.211 615 K C 0.630 177.285 176.600 0.091 0.000 1.049 615 K CA 2.420 58.812 56.287 0.176 0.000 0.927 615 K CB 0.123 32.686 32.500 0.106 0.000 0.714 615 K HN 0.290 nan 8.250 nan 0.000 0.452 616 D N -0.492 119.944 120.400 0.061 0.000 2.120 616 D HA -0.106 4.534 4.640 0.001 0.000 0.202 616 D C 2.042 178.365 176.300 0.039 0.000 0.972 616 D CA 1.606 55.628 54.000 0.037 0.000 0.837 616 D CB -0.352 40.463 40.800 0.024 0.000 0.989 616 D HN 0.315 nan 8.370 nan 0.000 0.469 617 S N 0.486 116.211 115.700 0.041 0.000 2.402 617 S HA -0.158 4.313 4.470 0.001 0.000 0.233 617 S C 1.015 175.642 174.600 0.045 0.000 1.030 617 S CA 0.557 58.778 58.200 0.035 0.000 1.003 617 S CB -0.933 62.285 63.200 0.030 0.000 0.813 617 S HN 0.201 nan 8.310 nan 0.000 0.477 618 L N 2.240 123.503 121.223 0.067 0.000 2.319 618 L HA 0.419 4.760 4.340 0.001 0.000 0.280 618 L C 0.116 177.023 176.870 0.062 0.000 1.099 618 L CA -0.495 54.392 54.840 0.078 0.000 0.828 618 L CB -0.102 42.030 42.059 0.123 0.000 1.150 618 L HN -0.011 nan 8.230 nan 0.000 0.442 619 N N 3.779 122.508 118.700 0.048 0.000 2.719 619 N HA 0.344 5.085 4.740 0.001 0.000 0.243 619 N C -0.372 175.157 175.510 0.032 0.000 1.104 619 N CA -0.137 52.931 53.050 0.030 0.000 0.981 619 N CB 0.208 38.704 38.487 0.015 0.000 1.290 619 N HN 0.470 nan 8.380 nan 0.000 0.513 620 L N 0.000 121.241 121.223 0.030 0.000 2.949 620 L HA 0.000 4.341 4.340 0.001 0.000 0.249 620 L CA 0.000 54.856 54.840 0.027 0.000 0.813 620 L CB 0.000 42.067 42.059 0.013 0.000 0.961 620 L HN 0.000 nan 8.230 nan 0.000 0.502