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 2db3_1_B DATA FIRST_RESID 202 DATA SEQUENCE YIPPEPSNDA IEIFSSGIAS GIHFSKYNNI PVKVTGSDVP QPIQHFTSAD DATA SEQUENCE LRDIIIDNVN KSGYKIPTPI QKCSIPVISS GRDLMACAQT GSGKTAAFLL DATA SEQUENCE PILSKLLEDP HELELGRPQV VIVSPTRELA IQIFNEARKF AFESYLKIGI DATA SEQUENCE VYGGTSFRHQ NECITRGCHV VIATPGRLLD FVDRTFITFE DTRFVVLDEA DATA SEQUENCE DRMLDMGFSE DMRRIMTHVT MRPEHQTLMF SATFPEEIQR MAGEFLKNYV DATA SEQUENCE FVAIGIVGGA CSDVKQTIYE VNKYAKRSKL IEILSEQADG TIVFVETKRG DATA SEQUENCE ADFLASFLSE KEFPTTSIHG DRLQSQREQA LRDFKNGSMK VLIATSVASR DATA SEQUENCE GLDIKNIKHV INYDMPSKID DYVHRIGRTG RVGNNGRATS FFDPEKDRAI DATA SEQUENCE AADLVKILEG SGQTVPDFLR 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 202 Y HA 0.000 nan 4.550 nan 0.000 0.201 202 Y C 0.000 175.849 175.900 -0.085 0.000 1.272 202 Y CA 0.000 58.072 58.100 -0.047 0.000 1.940 202 Y CB 0.000 38.441 38.460 -0.032 0.000 1.050 203 I N 9.315 129.543 120.570 -0.571 0.000 2.405 203 I HA 0.342 4.512 4.170 -0.000 0.000 0.280 203 I C -2.126 173.447 176.117 -0.906 0.000 1.027 203 I CA -1.886 58.966 61.300 -0.748 0.000 1.161 203 I CB 1.543 39.194 38.000 -0.583 0.000 1.300 203 I HN 0.390 nan 8.210 nan 0.000 0.463 204 P HA 0.104 nan 4.420 nan 0.000 0.268 204 P C -2.483 174.681 177.300 -0.227 0.000 1.208 204 P CA -0.915 61.847 63.100 -0.563 0.000 0.777 204 P CB -0.371 31.177 31.700 -0.254 0.000 0.875 205 P HA 0.149 nan 4.420 nan 0.000 0.271 205 P C 0.087 177.403 177.300 0.026 0.000 1.226 205 P CA 0.213 63.308 63.100 -0.008 0.000 0.765 205 P CB 0.683 32.406 31.700 0.039 0.000 0.835 206 E N 4.164 124.383 120.200 0.033 0.000 2.415 206 E HA 0.090 4.440 4.350 -0.000 0.000 0.262 206 E C -1.466 175.187 176.600 0.090 0.000 1.038 206 E CA -1.219 55.230 56.400 0.083 0.000 0.921 206 E CB 0.169 29.921 29.700 0.087 0.000 0.950 206 E HN 0.455 nan 8.360 nan 0.000 0.438 207 P HA -0.032 nan 4.420 nan 0.000 0.271 207 P C -0.646 176.685 177.300 0.051 0.000 1.218 207 P CA -0.161 63.001 63.100 0.104 0.000 0.780 207 P CB 1.107 32.901 31.700 0.156 0.000 0.901 208 S N 1.782 117.495 115.700 0.022 0.000 2.565 208 S HA 0.085 4.555 4.470 -0.000 0.000 0.276 208 S C 1.042 175.650 174.600 0.013 0.000 1.326 208 S CA -0.543 57.666 58.200 0.014 0.000 1.045 208 S CB -0.352 62.850 63.200 0.002 0.000 0.918 208 S HN 0.308 nan 8.310 nan 0.000 0.505 209 N N 2.659 121.379 118.700 0.033 0.000 2.280 209 N HA 0.034 4.774 4.740 -0.000 0.000 0.192 209 N C -0.405 175.174 175.510 0.116 0.000 1.109 209 N CA 0.076 53.165 53.050 0.065 0.000 0.855 209 N CB 0.124 38.635 38.487 0.041 0.000 0.974 209 N HN 0.699 nan 8.380 nan 0.000 0.482 210 D N 1.119 121.558 120.400 0.066 0.000 2.359 210 D HA 0.146 4.786 4.640 -0.000 0.000 0.250 210 D C 1.140 177.460 176.300 0.032 0.000 1.264 210 D CA -0.202 53.833 54.000 0.059 0.000 0.911 210 D CB 1.050 41.864 40.800 0.024 0.000 1.056 210 D HN 0.093 nan 8.370 nan 0.000 0.499 211 A N 5.283 128.141 122.820 0.064 0.000 1.916 211 A HA -0.296 4.024 4.320 -0.000 0.000 0.224 211 A C 2.218 179.763 177.584 -0.065 0.000 1.366 211 A CA 1.689 53.643 52.037 -0.138 0.000 0.692 211 A CB -0.779 18.141 19.000 -0.134 0.000 0.841 211 A HN 0.813 nan 8.150 nan 0.000 0.480 212 I N -0.875 119.670 120.570 -0.042 0.000 2.194 212 I HA -0.288 3.882 4.170 -0.000 0.000 0.246 212 I C 2.611 178.708 176.117 -0.032 0.000 1.093 212 I CA 1.831 63.112 61.300 -0.033 0.000 1.355 212 I CB -0.478 37.502 38.000 -0.032 0.000 1.046 212 I HN 0.448 nan 8.210 nan 0.000 0.413 213 E N 0.656 120.830 120.200 -0.043 0.000 2.107 213 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 213 E C 2.346 178.877 176.600 -0.116 0.000 0.982 213 E CA 1.096 57.462 56.400 -0.057 0.000 0.809 213 E CB -0.014 29.663 29.700 -0.038 0.000 0.756 213 E HN 0.543 nan 8.360 nan 0.000 0.459 214 I N 0.153 120.618 120.570 -0.175 0.000 2.179 214 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 214 I C 1.368 177.168 176.117 -0.529 0.000 1.088 214 I CA 1.182 62.260 61.300 -0.370 0.000 1.357 214 I CB -0.184 37.522 38.000 -0.490 0.000 1.051 214 I HN -0.031 nan 8.210 nan 0.000 0.409 215 F N 0.736 120.492 119.950 -0.324 0.000 2.701 215 F HA 0.051 4.578 4.527 -0.000 0.000 0.295 215 F C 2.196 177.872 175.800 -0.207 0.000 1.165 215 F CA 0.011 57.828 58.000 -0.305 0.000 1.399 215 F CB -0.397 38.398 39.000 -0.342 0.000 0.996 215 F HN 0.048 nan 8.300 nan 0.000 0.513 216 S N -1.470 114.186 115.700 -0.072 0.000 2.404 216 S HA -0.043 4.427 4.470 -0.000 0.000 0.223 216 S C 1.350 175.923 174.600 -0.046 0.000 1.040 216 S CA 0.294 58.467 58.200 -0.045 0.000 0.957 216 S CB -0.781 62.391 63.200 -0.047 0.000 0.826 216 S HN 0.283 nan 8.310 nan 0.000 0.491 217 S N 1.086 116.737 115.700 -0.081 0.000 2.572 217 S HA 0.497 4.967 4.470 -0.000 0.000 0.262 217 S C 0.775 175.359 174.600 -0.027 0.000 1.375 217 S CA -0.059 58.105 58.200 -0.060 0.000 0.996 217 S CB -0.532 62.608 63.200 -0.101 0.000 0.892 217 S HN 1.957 nan 8.310 nan 0.000 0.562 218 G N -0.258 108.548 108.800 0.010 0.000 2.587 218 G HA2 0.072 4.032 3.960 -0.000 0.000 0.686 218 G HA3 0.072 4.032 3.960 -0.000 0.000 0.686 218 G C -1.075 173.867 174.900 0.069 0.000 1.236 218 G CA -0.574 44.562 45.100 0.060 0.000 0.820 218 G HN 1.007 nan 8.290 nan 0.000 0.645 219 I N 1.676 122.300 120.570 0.090 0.000 2.382 219 I HA 0.565 4.735 4.170 -0.000 0.000 0.286 219 I C 1.046 177.216 176.117 0.087 0.000 1.002 219 I CA -0.660 60.689 61.300 0.082 0.000 1.135 219 I CB 1.636 39.689 38.000 0.088 0.000 1.288 219 I HN 1.043 nan 8.210 nan 0.000 0.448 220 A N 4.778 127.638 122.820 0.066 0.000 2.561 220 A HA 0.105 4.425 4.320 -0.000 0.000 0.234 220 A C 0.698 178.311 177.584 0.048 0.000 1.055 220 A CA 0.239 52.306 52.037 0.050 0.000 0.756 220 A CB 0.237 19.253 19.000 0.026 0.000 0.986 220 A HN 0.761 nan 8.150 nan 0.000 0.505 221 S N 1.540 117.244 115.700 0.007 0.000 2.561 221 S HA 0.345 4.815 4.470 -0.000 0.000 0.294 221 S C 0.843 175.473 174.600 0.050 0.000 1.294 221 S CA 0.309 58.509 58.200 -0.000 0.000 1.055 221 S CB -0.092 62.931 63.200 -0.295 0.000 0.819 221 S HN 1.388 nan 8.310 nan 0.000 0.503 222 G N 3.043 111.927 108.800 0.140 0.000 2.531 222 G HA2 0.478 4.438 3.960 -0.000 0.000 0.313 222 G HA3 0.478 4.438 3.960 -0.000 0.000 0.313 222 G C 0.773 175.703 174.900 0.050 0.000 1.238 222 G CA -0.760 44.392 45.100 0.087 0.000 0.994 222 G HN 0.655 nan 8.290 nan 0.000 0.493 223 I N -0.082 120.454 120.570 -0.057 0.000 2.264 223 I HA -0.117 4.053 4.170 -0.000 0.000 0.248 223 I C 1.995 177.961 176.117 -0.252 0.000 1.111 223 I CA 1.122 62.303 61.300 -0.197 0.000 1.382 223 I CB -0.207 37.578 38.000 -0.359 0.000 1.060 223 I HN 0.428 nan 8.210 nan 0.000 0.418 224 H N -1.484 117.590 119.070 0.005 0.000 2.536 224 H HA 0.069 4.625 4.556 -0.000 0.000 0.276 224 H C 1.724 176.979 175.328 -0.121 0.000 1.019 224 H CA -0.002 56.011 56.048 -0.059 0.000 1.159 224 H CB -0.287 29.409 29.762 -0.110 0.000 1.373 224 H HN 0.274 nan 8.280 nan 0.000 0.584 225 F N 2.566 122.467 119.950 -0.083 0.000 2.154 225 F HA -0.285 4.242 4.527 -0.000 0.000 0.301 225 F C 2.535 178.316 175.800 -0.031 0.000 1.087 225 F CA 1.573 59.520 58.000 -0.088 0.000 1.274 225 F CB 0.107 39.135 39.000 0.045 0.000 1.009 225 F HN 0.150 nan 8.300 nan 0.000 0.485 226 S N -0.607 115.174 115.700 0.136 0.000 2.474 226 S HA -0.151 4.318 4.470 -0.000 0.000 0.235 226 S C 1.809 176.398 174.600 -0.019 0.000 0.997 226 S CA 0.715 58.971 58.200 0.093 0.000 0.949 226 S CB -0.620 62.645 63.200 0.108 0.000 0.766 226 S HN 0.471 nan 8.310 nan 0.000 0.517 227 K N -0.131 120.211 120.400 -0.096 0.000 2.360 227 K HA -0.038 4.282 4.320 -0.000 0.000 0.201 227 K C 1.269 177.792 176.600 -0.129 0.000 1.046 227 K CA 0.925 57.146 56.287 -0.110 0.000 0.945 227 K CB -0.331 32.093 32.500 -0.127 0.000 0.750 227 K HN 0.428 nan 8.250 nan 0.000 0.464 228 Y N 1.593 121.784 120.300 -0.181 0.000 2.256 228 Y HA -0.184 4.365 4.550 -0.000 0.000 0.288 228 Y C 1.520 177.335 175.900 -0.142 0.000 1.155 228 Y CA 1.094 59.064 58.100 -0.216 0.000 1.203 228 Y CB -0.713 37.509 38.460 -0.397 0.000 0.980 228 Y HN 0.216 nan 8.280 nan 0.000 0.530 229 N N -0.178 118.550 118.700 0.046 0.000 2.519 229 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 229 N C 0.980 176.495 175.510 0.009 0.000 1.062 229 N CA 0.720 53.781 53.050 0.018 0.000 0.910 229 N CB -0.100 38.399 38.487 0.020 0.000 0.958 229 N HN 0.379 nan 8.380 nan 0.000 0.445 230 N N 0.556 119.261 118.700 0.008 0.000 2.373 230 N HA 0.096 4.836 4.740 -0.000 0.000 0.181 230 N C 0.096 175.607 175.510 0.002 0.000 1.082 230 N CA 0.213 53.264 53.050 0.000 0.000 0.885 230 N CB 0.682 39.165 38.487 -0.008 0.000 0.977 230 N HN 0.224 nan 8.380 nan 0.000 0.462 231 I N 2.858 123.435 120.570 0.012 0.000 2.533 231 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 231 I C -1.998 174.120 176.117 0.003 0.000 1.109 231 I CA -1.512 59.795 61.300 0.013 0.000 1.412 231 I CB 0.228 38.249 38.000 0.034 0.000 1.396 231 I HN -0.288 nan 8.210 nan 0.000 0.543 232 P HA 0.070 nan 4.420 nan 0.000 0.265 232 P C -0.837 176.460 177.300 -0.005 0.000 1.193 232 P CA -0.013 63.087 63.100 0.000 0.000 0.765 232 P CB 0.580 32.284 31.700 0.006 0.000 0.823 233 V N 4.283 124.190 119.914 -0.012 0.000 2.459 233 V HA 0.404 4.523 4.120 -0.000 0.000 0.295 233 V C 0.137 176.222 176.094 -0.014 0.000 1.029 233 V CA -0.404 61.882 62.300 -0.025 0.000 0.874 233 V CB 1.560 33.360 31.823 -0.037 0.000 0.985 233 V HN 0.450 nan 8.190 nan 0.000 0.438 234 K N 4.095 124.485 120.400 -0.016 0.000 2.426 234 K HA 0.789 5.109 4.320 -0.000 0.000 0.254 234 K C -1.998 174.602 176.600 -0.001 0.000 0.936 234 K CA -0.448 55.851 56.287 0.020 0.000 0.801 234 K CB 2.141 34.690 32.500 0.082 0.000 1.139 234 K HN 0.470 nan 8.250 nan 0.000 0.424 235 V N 3.185 123.111 119.914 0.020 0.000 2.577 235 V HA 0.441 4.561 4.120 -0.000 0.000 0.303 235 V C -0.558 175.570 176.094 0.057 0.000 1.042 235 V CA -0.675 61.633 62.300 0.014 0.000 0.872 235 V CB 1.781 33.592 31.823 -0.020 0.000 0.998 235 V HN 1.005 nan 8.190 nan 0.000 0.423 236 T N 0.646 115.264 114.554 0.106 0.000 2.906 236 T HA 0.984 5.334 4.350 -0.000 0.000 0.295 236 T C -0.184 174.516 174.700 0.001 0.000 1.061 236 T CA -0.206 61.926 62.100 0.054 0.000 1.000 236 T CB 2.147 71.048 68.868 0.055 0.000 1.103 236 T HN 1.863 nan 8.240 nan 0.000 0.486 237 G N 0.552 109.323 108.800 -0.049 0.000 2.347 237 G HA2 0.389 4.349 3.960 -0.000 0.000 0.321 237 G HA3 0.389 4.349 3.960 -0.000 0.000 0.321 237 G C -0.903 173.961 174.900 -0.060 0.000 1.412 237 G CA -0.817 44.231 45.100 -0.088 0.000 0.990 237 G HN 0.887 nan 8.290 nan 0.000 0.637 238 S N 1.161 116.823 115.700 -0.063 0.000 2.565 238 S HA 0.424 4.894 4.470 -0.000 0.000 0.276 238 S C 0.590 175.174 174.600 -0.025 0.000 1.326 238 S CA 0.522 58.697 58.200 -0.042 0.000 1.045 238 S CB 1.062 64.237 63.200 -0.042 0.000 0.918 238 S HN 1.611 nan 8.310 nan 0.000 0.505 239 D N 1.125 121.514 120.400 -0.018 0.000 3.137 239 D HA -0.196 4.444 4.640 -0.000 0.000 0.196 239 D C -0.597 175.700 176.300 -0.005 0.000 1.270 239 D CA 0.271 54.265 54.000 -0.010 0.000 0.716 239 D CB -1.278 39.518 40.800 -0.007 0.000 0.891 239 D HN 0.116 nan 8.370 nan 0.000 0.396 240 V N 2.409 122.320 119.914 -0.005 0.000 2.498 240 V HA 0.292 4.412 4.120 -0.000 0.000 0.279 240 V C -1.310 174.786 176.094 0.003 0.000 1.048 240 V CA -1.305 60.995 62.300 0.000 0.000 0.967 240 V CB 0.900 32.721 31.823 -0.003 0.000 0.988 240 V HN 0.381 nan 8.190 nan 0.000 0.473 241 P HA 0.138 nan 4.420 nan 0.000 0.269 241 P C -0.287 177.014 177.300 0.001 0.000 1.209 241 P CA -0.314 62.791 63.100 0.010 0.000 0.776 241 P CB 0.327 32.039 31.700 0.021 0.000 0.876 242 Q N 2.744 122.543 119.800 -0.002 0.000 2.432 242 Q HA 0.161 4.501 4.340 -0.000 0.000 0.264 242 Q C -2.031 173.957 176.000 -0.019 0.000 1.035 242 Q CA -1.248 54.548 55.803 -0.012 0.000 0.908 242 Q CB -0.645 28.087 28.738 -0.011 0.000 1.280 242 Q HN 0.340 nan 8.270 nan 0.000 0.455 243 P HA 0.105 nan 4.420 nan 0.000 0.275 243 P C -0.441 176.818 177.300 -0.069 0.000 1.228 243 P CA -0.377 62.692 63.100 -0.051 0.000 0.786 243 P CB 0.349 32.010 31.700 -0.064 0.000 0.927 244 I N -0.402 120.118 120.570 -0.083 0.000 2.834 244 I HA 0.308 4.478 4.170 -0.000 0.000 0.305 244 I C 0.879 176.872 176.117 -0.208 0.000 1.008 244 I CA 0.140 61.374 61.300 -0.110 0.000 1.273 244 I CB 0.485 38.438 38.000 -0.078 0.000 1.432 244 I HN 0.178 nan 8.210 nan 0.000 0.557 245 Q N 0.625 120.226 119.800 -0.331 0.000 2.280 245 Q HA 0.281 4.621 4.340 -0.000 0.000 0.244 245 Q C -0.531 174.964 176.000 -0.842 0.000 0.847 245 Q CA 0.403 55.848 55.803 -0.597 0.000 0.945 245 Q CB 0.519 28.807 28.738 -0.750 0.000 1.115 245 Q HN 0.747 nan 8.270 nan 0.000 0.513 246 H N -1.577 117.410 119.070 -0.138 0.000 2.961 246 H HA 0.233 4.789 4.556 -0.000 0.000 0.371 246 H C 0.268 175.511 175.328 -0.140 0.000 1.190 246 H CA -0.703 55.254 56.048 -0.152 0.000 1.138 246 H CB 0.709 30.452 29.762 -0.031 0.000 1.816 246 H HN -0.127 nan 8.280 nan 0.000 0.551 247 F N 0.691 120.729 119.950 0.147 0.000 2.216 247 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 247 F C 2.332 178.178 175.800 0.076 0.000 1.085 247 F CA 1.367 59.416 58.000 0.082 0.000 1.326 247 F CB -0.027 39.016 39.000 0.072 0.000 1.027 247 F HN 0.459 nan 8.300 nan 0.000 0.497 248 T N -1.137 113.575 114.554 0.263 0.000 2.788 248 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 248 T C 1.397 176.173 174.700 0.128 0.000 1.044 248 T CA 1.524 63.720 62.100 0.160 0.000 1.139 248 T CB -0.456 68.471 68.868 0.100 0.000 0.867 248 T HN 0.254 nan 8.240 nan 0.000 0.454 249 S N 0.421 116.208 115.700 0.145 0.000 2.460 249 S HA 0.706 5.176 4.470 -0.000 0.000 0.211 249 S C 0.476 175.121 174.600 0.074 0.000 1.312 249 S CA -0.469 57.795 58.200 0.107 0.000 1.256 249 S CB 0.566 63.846 63.200 0.134 0.000 1.086 249 S HN 0.380 nan 8.310 nan 0.000 0.507 250 A N 1.004 123.871 122.820 0.078 0.000 2.609 250 A HA 0.413 4.733 4.320 -0.000 0.000 0.286 250 A C 0.407 178.028 177.584 0.062 0.000 1.138 250 A CA -0.310 51.763 52.037 0.061 0.000 0.960 250 A CB -0.080 18.965 19.000 0.076 0.000 1.208 250 A HN 0.528 nan 8.150 nan 0.000 0.541 251 D N -0.051 120.384 120.400 0.060 0.000 2.751 251 D HA -0.155 4.485 4.640 -0.000 0.000 0.233 251 D C -0.278 176.055 176.300 0.055 0.000 1.149 251 D CA 0.892 54.924 54.000 0.053 0.000 0.682 251 D CB -1.191 39.638 40.800 0.050 0.000 1.068 251 D HN 0.478 nan 8.370 nan 0.000 0.429 252 L N 0.312 121.571 121.223 0.060 0.000 2.312 252 L HA 0.302 4.642 4.340 -0.000 0.000 0.281 252 L C 1.339 178.232 176.870 0.040 0.000 1.070 252 L CA -0.734 54.136 54.840 0.050 0.000 0.805 252 L CB 1.096 43.190 42.059 0.058 0.000 1.174 252 L HN -0.205 nan 8.230 nan 0.000 0.434 253 R N 1.436 121.954 120.500 0.030 0.000 2.697 253 R HA -0.093 4.247 4.340 -0.000 0.000 0.265 253 R C 0.790 177.104 176.300 0.024 0.000 1.009 253 R CA 0.177 56.293 56.100 0.026 0.000 1.099 253 R CB 0.300 30.612 30.300 0.021 0.000 0.965 253 R HN 0.641 nan 8.270 nan 0.000 0.428 254 D N 2.356 122.770 120.400 0.024 0.000 2.178 254 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 254 D C 1.763 178.076 176.300 0.022 0.000 0.980 254 D CA 1.159 55.172 54.000 0.023 0.000 0.842 254 D CB 0.294 41.106 40.800 0.021 0.000 0.948 254 D HN 0.587 nan 8.370 nan 0.000 0.472 255 I N -1.361 119.224 120.570 0.026 0.000 2.315 255 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 255 I C 2.087 178.230 176.117 0.044 0.000 1.117 255 I CA 0.639 61.960 61.300 0.035 0.000 1.404 255 I CB -0.501 37.519 38.000 0.033 0.000 1.071 255 I HN -0.115 nan 8.210 nan 0.000 0.419 256 I N 1.981 122.567 120.570 0.027 0.000 2.202 256 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 256 I C 2.751 178.858 176.117 -0.017 0.000 1.091 256 I CA 1.706 63.014 61.300 0.014 0.000 1.368 256 I CB -0.841 37.148 38.000 -0.018 0.000 1.058 256 I HN 0.266 nan 8.210 nan 0.000 0.410 257 I N 0.823 121.385 120.570 -0.013 0.000 2.286 257 I HA -0.312 3.858 4.170 -0.000 0.000 0.248 257 I C 2.228 178.321 176.117 -0.041 0.000 1.115 257 I CA 1.577 62.860 61.300 -0.028 0.000 1.392 257 I CB -0.381 37.631 38.000 0.020 0.000 1.065 257 I HN 0.198 nan 8.210 nan 0.000 0.418 258 D N 0.850 121.244 120.400 -0.010 0.000 2.178 258 D HA -0.163 4.477 4.640 -0.000 0.000 0.202 258 D C 1.874 178.163 176.300 -0.018 0.000 0.974 258 D CA 1.144 55.134 54.000 -0.017 0.000 0.841 258 D CB -0.063 40.740 40.800 0.006 0.000 0.953 258 D HN 0.161 nan 8.370 nan 0.000 0.478 259 N N -0.398 118.337 118.700 0.059 0.000 2.396 259 N HA -0.073 4.666 4.740 -0.000 0.000 0.180 259 N C 1.771 177.344 175.510 0.105 0.000 1.028 259 N CA 0.278 53.436 53.050 0.180 0.000 0.893 259 N CB 0.066 38.752 38.487 0.333 0.000 0.967 259 N HN 0.148 nan 8.380 nan 0.000 0.440 260 V N 1.387 121.260 119.914 -0.068 0.000 2.427 260 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 260 V C 2.158 178.076 176.094 -0.293 0.000 1.051 260 V CA 1.343 63.460 62.300 -0.304 0.000 1.048 260 V CB -0.590 30.897 31.823 -0.561 0.000 0.666 260 V HN 0.324 nan 8.190 nan 0.000 0.456 261 N N 0.772 119.359 118.700 -0.190 0.000 2.058 261 N HA -0.194 4.546 4.740 -0.000 0.000 0.191 261 N C 1.784 177.166 175.510 -0.214 0.000 1.037 261 N CA 1.640 54.595 53.050 -0.158 0.000 0.848 261 N CB -0.205 38.213 38.487 -0.116 0.000 1.021 261 N HN 0.410 nan 8.380 nan 0.000 0.422 262 K N -0.420 119.796 120.400 -0.307 0.000 2.211 262 K HA -0.003 4.317 4.320 -0.000 0.000 0.204 262 K C 1.668 178.002 176.600 -0.444 0.000 1.047 262 K CA 1.254 57.196 56.287 -0.576 0.000 0.935 262 K CB -0.048 31.734 32.500 -1.198 0.000 0.728 262 K HN 0.153 nan 8.250 nan 0.000 0.452 263 S N -0.365 115.208 115.700 -0.212 0.000 2.522 263 S HA 0.037 4.507 4.470 -0.000 0.000 0.227 263 S C 1.292 175.797 174.600 -0.159 0.000 0.986 263 S CA 0.736 58.840 58.200 -0.160 0.000 0.929 263 S CB 0.344 63.237 63.200 -0.511 0.000 0.769 263 S HN 0.616 nan 8.310 nan 0.000 0.529 264 G N 0.685 109.404 108.800 -0.136 0.000 2.141 264 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 264 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 264 G C -0.214 174.775 174.900 0.149 0.000 0.982 264 G CA -0.250 44.847 45.100 -0.005 0.000 0.662 264 G HN 0.415 nan 8.290 nan 0.000 0.527 265 Y N 0.518 120.787 120.300 -0.052 0.000 2.359 265 Y HA 0.500 5.050 4.550 -0.000 0.000 0.330 265 Y C 1.520 177.450 175.900 0.049 0.000 1.143 265 Y CA -0.691 57.396 58.100 -0.021 0.000 1.318 265 Y CB 1.008 39.401 38.460 -0.112 0.000 1.234 265 Y HN 0.144 nan 8.280 nan 0.000 0.522 266 K N 2.115 122.675 120.400 0.267 0.000 2.306 266 K HA 0.372 4.691 4.320 -0.000 0.000 0.200 266 K C -0.282 176.525 176.600 0.344 0.000 1.083 266 K CA 0.553 56.981 56.287 0.235 0.000 0.959 266 K CB 0.731 33.273 32.500 0.070 0.000 0.994 266 K HN 0.430 nan 8.250 nan 0.000 0.492 267 I N 2.179 122.938 120.570 0.314 0.000 2.582 267 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 267 I C -2.682 173.469 176.117 0.057 0.000 1.066 267 I CA -2.840 58.571 61.300 0.184 0.000 1.053 267 I CB 2.072 40.222 38.000 0.251 0.000 1.241 267 I HN -0.211 nan 8.210 nan 0.000 0.421 268 P HA 0.066 nan 4.420 nan 0.000 0.268 268 P C -0.200 177.004 177.300 -0.160 0.000 1.205 268 P CA 0.012 62.771 63.100 -0.567 0.000 0.771 268 P CB 0.510 31.761 31.700 -0.748 0.000 0.858 269 T N 4.057 118.539 114.554 -0.121 0.000 2.868 269 T HA 0.135 4.485 4.350 -0.000 0.000 0.292 269 T C -1.381 173.152 174.700 -0.279 0.000 1.028 269 T CA -1.418 60.521 62.100 -0.268 0.000 1.059 269 T CB 0.142 68.837 68.868 -0.289 0.000 0.991 269 T HN 0.271 nan 8.240 nan 0.000 0.531 270 P HA -0.110 nan 4.420 nan 0.000 0.215 270 P C 1.524 178.732 177.300 -0.154 0.000 1.163 270 P CA 0.667 63.636 63.100 -0.218 0.000 0.894 270 P CB 0.013 31.589 31.700 -0.207 0.000 0.791 271 I N -0.730 119.754 120.570 -0.144 0.000 2.335 271 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 271 I C 2.072 178.189 176.117 0.000 0.000 1.129 271 I CA 1.737 63.011 61.300 -0.044 0.000 1.402 271 I CB -0.730 37.285 38.000 0.025 0.000 1.069 271 I HN -0.049 nan 8.210 nan 0.000 0.424 272 Q N -0.130 119.641 119.800 -0.049 0.000 2.123 272 Q HA -0.189 4.151 4.340 -0.000 0.000 0.199 272 Q C 2.186 178.151 176.000 -0.059 0.000 0.966 272 Q CA 1.450 57.236 55.803 -0.027 0.000 0.845 272 Q CB -0.105 28.607 28.738 -0.044 0.000 0.907 272 Q HN 0.484 nan 8.270 nan 0.000 0.439 273 K N -0.247 120.085 120.400 -0.114 0.000 2.097 273 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 273 K C 2.104 178.661 176.600 -0.072 0.000 1.049 273 K CA 1.365 57.577 56.287 -0.125 0.000 0.933 273 K CB -0.039 32.371 32.500 -0.150 0.000 0.717 273 K HN 0.251 nan 8.250 nan 0.000 0.442 274 C N -0.065 119.203 119.300 -0.053 0.000 2.505 274 C HA 0.041 4.501 4.460 -0.000 0.000 0.279 274 C C 2.823 177.815 174.990 0.004 0.000 1.316 274 C CA 0.379 59.377 59.018 -0.035 0.000 1.720 274 C CB -0.383 27.324 27.740 -0.054 0.000 2.050 274 C HN 0.410 nan 8.230 nan 0.000 0.493 275 S N 1.326 117.052 115.700 0.043 0.000 2.357 275 S HA -0.044 4.426 4.470 -0.000 0.000 0.221 275 S C 1.690 176.368 174.600 0.129 0.000 1.031 275 S CA 1.167 59.437 58.200 0.118 0.000 0.982 275 S CB -0.380 62.983 63.200 0.272 0.000 0.853 275 S HN 0.528 nan 8.310 nan 0.000 0.458 276 I N 2.599 123.227 120.570 0.097 0.000 2.087 276 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 276 I C -0.553 175.613 176.117 0.081 0.000 1.054 276 I CA 1.512 62.864 61.300 0.087 0.000 1.311 276 I CB -1.524 36.510 38.000 0.057 0.000 1.024 276 I HN 0.257 nan 8.210 nan 0.000 0.402 277 P HA -0.115 nan 4.420 nan 0.000 0.217 277 P C 1.958 179.298 177.300 0.067 0.000 1.150 277 P CA 1.469 64.600 63.100 0.051 0.000 0.832 277 P CB -0.087 31.628 31.700 0.025 0.000 0.787 278 V N 0.471 120.426 119.914 0.068 0.000 2.332 278 V HA -0.223 3.896 4.120 -0.000 0.000 0.248 278 V C 2.730 178.892 176.094 0.113 0.000 1.055 278 V CA 1.658 64.004 62.300 0.076 0.000 1.038 278 V CB -0.980 30.882 31.823 0.066 0.000 0.651 278 V HN 0.014 nan 8.190 nan 0.000 0.450 279 I N -0.467 120.193 120.570 0.150 0.000 2.353 279 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 279 I C 2.482 178.728 176.117 0.215 0.000 1.119 279 I CA 1.236 62.663 61.300 0.212 0.000 1.417 279 I CB -0.369 37.780 38.000 0.248 0.000 1.078 279 I HN 0.221 nan 8.210 nan 0.000 0.421 280 S N 0.281 116.076 115.700 0.158 0.000 2.419 280 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 280 S C 2.061 176.737 174.600 0.127 0.000 1.016 280 S CA 1.286 59.572 58.200 0.144 0.000 0.974 280 S CB -0.127 63.134 63.200 0.101 0.000 0.786 280 S HN 0.356 nan 8.310 nan 0.000 0.492 281 S N -0.093 115.669 115.700 0.104 0.000 2.522 281 S HA 0.251 4.721 4.470 -0.000 0.000 0.227 281 S C 1.494 176.140 174.600 0.076 0.000 0.986 281 S CA 0.603 58.850 58.200 0.079 0.000 0.929 281 S CB 0.055 63.291 63.200 0.060 0.000 0.769 281 S HN 0.751 nan 8.310 nan 0.000 0.529 282 G N 1.591 110.452 108.800 0.101 0.000 2.131 282 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.223 282 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.223 282 G C -0.047 174.879 174.900 0.043 0.000 0.990 282 G CA -0.501 44.637 45.100 0.064 0.000 0.671 282 G HN 0.280 nan 8.290 nan 0.000 0.521 283 R N 0.330 120.873 120.500 0.071 0.000 2.532 283 R HA 0.501 4.841 4.340 -0.000 0.000 0.272 283 R C -0.355 175.996 176.300 0.085 0.000 1.032 283 R CA -0.719 55.420 56.100 0.064 0.000 1.089 283 R CB 0.558 30.898 30.300 0.067 0.000 1.098 283 R HN 0.186 nan 8.270 nan 0.000 0.526 284 D N 0.856 121.307 120.400 0.084 0.000 2.329 284 D HA 0.369 5.009 4.640 -0.000 0.000 0.246 284 D C -0.298 176.079 176.300 0.128 0.000 1.111 284 D CA -0.030 54.029 54.000 0.099 0.000 0.941 284 D CB 0.864 41.722 40.800 0.098 0.000 1.169 284 D HN 0.058 nan 8.370 nan 0.000 0.441 285 L N 1.572 122.837 121.223 0.070 0.000 2.505 285 L HA 0.442 4.782 4.340 -0.000 0.000 0.259 285 L C -1.759 175.033 176.870 -0.131 0.000 0.952 285 L CA -0.613 54.237 54.840 0.017 0.000 0.840 285 L CB 1.934 43.980 42.059 -0.022 0.000 1.358 285 L HN 0.369 nan 8.230 nan 0.000 0.409 286 M N 4.294 123.822 119.600 -0.120 0.000 2.085 286 M HA 0.644 5.124 4.480 -0.000 0.000 0.309 286 M C -1.314 174.798 176.300 -0.313 0.000 0.947 286 M CA -0.401 54.769 55.300 -0.217 0.000 0.918 286 M CB 1.575 34.059 32.600 -0.193 0.000 1.504 286 M HN 0.708 nan 8.290 nan 0.000 0.420 287 A N 4.508 127.054 122.820 -0.457 0.000 2.343 287 A HA 0.764 5.084 4.320 -0.000 0.000 0.316 287 A C -1.302 176.172 177.584 -0.183 0.000 1.104 287 A CA -0.541 51.214 52.037 -0.471 0.000 0.768 287 A CB 0.944 19.482 19.000 -0.770 0.000 1.213 287 A HN 0.898 nan 8.150 nan 0.000 0.456 288 C N 1.930 121.129 119.300 -0.168 0.000 2.369 288 C HA 0.945 5.405 4.460 -0.000 0.000 0.322 288 C C 0.393 175.385 174.990 0.003 0.000 1.258 288 C CA -0.120 58.908 59.018 0.017 0.000 1.487 288 C CB 0.367 28.142 27.740 0.058 0.000 2.165 288 C HN 1.250 nan 8.230 nan 0.000 0.483 289 A N 3.043 125.904 122.820 0.067 0.000 2.566 289 A HA 0.666 4.986 4.320 -0.000 0.000 0.297 289 A C -0.680 176.934 177.584 0.051 0.000 1.059 289 A CA -0.636 51.424 52.037 0.040 0.000 0.691 289 A CB 0.730 19.746 19.000 0.028 0.000 1.282 289 A HN 0.937 nan 8.150 nan 0.000 0.401 290 Q N 1.125 120.947 119.800 0.037 0.000 2.450 290 Q HA 0.306 4.646 4.340 -0.000 0.000 0.294 290 Q C 0.399 176.420 176.000 0.036 0.000 1.129 290 Q CA 0.569 56.389 55.803 0.028 0.000 0.970 290 Q CB -0.252 28.513 28.738 0.045 0.000 1.294 290 Q HN 0.991 nan 8.270 nan 0.000 0.453 291 T N -1.796 112.760 114.554 0.003 0.000 2.906 291 T HA 0.311 4.661 4.350 -0.000 0.000 0.320 291 T C 1.216 175.958 174.700 0.071 0.000 1.088 291 T CA -0.058 62.058 62.100 0.027 0.000 1.120 291 T CB 0.305 69.169 68.868 -0.006 0.000 1.000 291 T HN 1.387 nan 8.240 nan 0.000 0.550 292 G N 1.409 110.259 108.800 0.083 0.000 2.203 292 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.263 292 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.263 292 G C 0.525 175.502 174.900 0.130 0.000 1.012 292 G CA 0.521 45.684 45.100 0.105 0.000 0.749 292 G HN 1.817 nan 8.290 nan 0.000 0.512 293 S N -1.037 114.705 115.700 0.071 0.000 2.561 293 S HA 0.501 4.970 4.470 -0.000 0.000 0.245 293 S C 1.612 176.129 174.600 -0.139 0.000 1.001 293 S CA 0.672 58.840 58.200 -0.052 0.000 1.002 293 S CB 0.573 63.691 63.200 -0.137 0.000 0.805 293 S HN 2.199 nan 8.310 nan 0.000 0.458 294 G N 1.780 110.545 108.800 -0.059 0.000 2.137 294 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.237 294 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.237 294 G C 0.702 175.543 174.900 -0.097 0.000 1.002 294 G CA 0.414 45.461 45.100 -0.088 0.000 0.702 294 G HN 0.539 nan 8.290 nan 0.000 0.515 295 K N -0.499 119.868 120.400 -0.054 0.000 2.097 295 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 295 K C 2.629 178.963 176.600 -0.443 0.000 1.049 295 K CA 1.721 57.962 56.287 -0.077 0.000 0.933 295 K CB -0.262 32.328 32.500 0.150 0.000 0.717 295 K HN 0.430 nan 8.250 nan 0.000 0.442 296 T N 1.184 115.479 114.554 -0.432 0.000 2.684 296 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 296 T C 2.041 176.136 174.700 -1.008 0.000 1.036 296 T CA 1.630 63.201 62.100 -0.883 0.000 1.148 296 T CB -0.275 68.374 68.868 -0.364 0.000 0.863 296 T HN 0.346 nan 8.240 nan 0.000 0.436 297 A N 1.239 123.805 122.820 -0.424 0.000 1.968 297 A HA 0.338 4.658 4.320 -0.000 0.000 0.217 297 A C 2.647 180.024 177.584 -0.345 0.000 1.169 297 A CA 1.480 53.313 52.037 -0.339 0.000 0.638 297 A CB -0.994 17.944 19.000 -0.103 0.000 0.812 297 A HN 0.497 nan 8.150 nan 0.000 0.446 298 A N -0.061 122.583 122.820 -0.293 0.000 1.948 298 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 298 A C 1.892 179.439 177.584 -0.061 0.000 1.177 298 A CA 1.902 53.876 52.037 -0.104 0.000 0.636 298 A CB -0.792 18.233 19.000 0.041 0.000 0.815 298 A HN 1.074 nan 8.150 nan 0.000 0.449 299 F N -2.347 117.416 119.950 -0.311 0.000 2.559 299 F HA 0.338 4.865 4.527 -0.000 0.000 0.286 299 F C 1.626 177.333 175.800 -0.155 0.000 1.108 299 F CA 0.004 57.880 58.000 -0.207 0.000 1.436 299 F CB -0.528 38.265 39.000 -0.346 0.000 1.130 299 F HN 0.028 nan 8.300 nan 0.000 0.584 300 L N 0.724 121.785 121.223 -0.271 0.000 2.017 300 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 300 L C 2.571 179.351 176.870 -0.151 0.000 1.073 300 L CA 1.305 56.079 54.840 -0.111 0.000 0.745 300 L CB -0.723 41.272 42.059 -0.108 0.000 0.894 300 L HN 0.246 nan 8.230 nan 0.000 0.432 301 L N 0.040 121.094 121.223 -0.282 0.000 1.971 301 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 301 L C -0.042 176.763 176.870 -0.108 0.000 1.072 301 L CA 1.632 56.321 54.840 -0.251 0.000 0.758 301 L CB -2.371 39.528 42.059 -0.267 0.000 0.889 301 L HN 0.256 nan 8.230 nan 0.000 0.433 302 P HA -0.185 nan 4.420 nan 0.000 0.216 302 P C 1.833 179.092 177.300 -0.068 0.000 1.150 302 P CA 1.736 64.831 63.100 -0.008 0.000 0.837 302 P CB 0.048 31.784 31.700 0.059 0.000 0.786 303 I N -0.653 119.815 120.570 -0.171 0.000 2.233 303 I HA -0.189 3.980 4.170 -0.000 0.000 0.243 303 I C 2.669 178.612 176.117 -0.290 0.000 1.093 303 I CA 1.106 62.131 61.300 -0.458 0.000 1.380 303 I CB -0.631 37.013 38.000 -0.594 0.000 1.067 303 I HN -0.171 nan 8.210 nan 0.000 0.413 304 L N -0.251 120.878 121.223 -0.156 0.000 2.131 304 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 304 L C 2.694 179.530 176.870 -0.057 0.000 1.092 304 L CA 1.132 55.919 54.840 -0.088 0.000 0.759 304 L CB -0.527 41.507 42.059 -0.042 0.000 0.903 304 L HN 0.231 nan 8.230 nan 0.000 0.435 305 S N -0.023 115.648 115.700 -0.047 0.000 2.368 305 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 305 S C 2.054 176.666 174.600 0.020 0.000 1.029 305 S CA 1.460 59.654 58.200 -0.009 0.000 0.988 305 S CB -0.003 63.198 63.200 0.001 0.000 0.838 305 S HN 0.210 nan 8.310 nan 0.000 0.462 306 K N 1.352 121.771 120.400 0.032 0.000 2.097 306 K HA 0.113 4.433 4.320 -0.000 0.000 0.206 306 K C 1.895 178.577 176.600 0.136 0.000 1.049 306 K CA 1.252 57.611 56.287 0.119 0.000 0.933 306 K CB -0.610 32.032 32.500 0.236 0.000 0.717 306 K HN 0.436 nan 8.250 nan 0.000 0.442 307 L N -0.106 121.168 121.223 0.084 0.000 2.131 307 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 307 L C 1.859 178.757 176.870 0.048 0.000 1.092 307 L CA 0.479 55.378 54.840 0.099 0.000 0.759 307 L CB -0.407 41.665 42.059 0.022 0.000 0.903 307 L HN 0.157 nan 8.230 nan 0.000 0.435 308 L N -0.299 120.932 121.223 0.014 0.000 2.179 308 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 308 L C 2.480 179.363 176.870 0.021 0.000 1.096 308 L CA 1.523 56.366 54.840 0.005 0.000 0.779 308 L CB -0.830 41.230 42.059 0.002 0.000 0.922 308 L HN 0.309 nan 8.230 nan 0.000 0.443 309 E N -0.721 119.502 120.200 0.039 0.000 2.112 309 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 309 E C 0.155 176.777 176.600 0.037 0.000 0.979 309 E CA 0.812 57.236 56.400 0.040 0.000 0.814 309 E CB 0.301 30.034 29.700 0.055 0.000 0.762 309 E HN 0.243 nan 8.360 nan 0.000 0.460 310 D N 1.228 121.666 120.400 0.065 0.000 2.634 310 D HA 0.185 4.825 4.640 -0.000 0.000 0.318 310 D C -2.549 173.749 176.300 -0.004 0.000 1.226 310 D CA -2.469 51.554 54.000 0.038 0.000 0.899 310 D CB 0.868 41.745 40.800 0.129 0.000 1.025 310 D HN 0.027 nan 8.370 nan 0.000 0.501 311 P HA 0.125 nan 4.420 nan 0.000 0.269 311 P C -0.797 176.357 177.300 -0.244 0.000 1.209 311 P CA 0.085 63.162 63.100 -0.037 0.000 0.776 311 P CB 0.878 32.566 31.700 -0.021 0.000 0.876 312 H N -0.972 118.165 119.070 0.112 0.000 2.806 312 H HA 0.262 4.818 4.556 -0.000 0.000 0.367 312 H C -0.004 175.393 175.328 0.115 0.000 1.136 312 H CA -0.679 55.429 56.048 0.100 0.000 1.178 312 H CB 1.271 31.095 29.762 0.103 0.000 1.718 312 H HN 0.339 nan 8.280 nan 0.000 0.540 313 E N 2.278 122.584 120.200 0.177 0.000 2.376 313 E HA 0.041 4.391 4.350 -0.000 0.000 0.266 313 E C 0.005 176.661 176.600 0.094 0.000 1.009 313 E CA -0.155 56.316 56.400 0.118 0.000 0.902 313 E CB 1.080 30.823 29.700 0.071 0.000 0.972 313 E HN 0.424 nan 8.360 nan 0.000 0.439 314 L N 2.839 124.080 121.223 0.029 0.000 2.456 314 L HA -0.003 4.337 4.340 -0.000 0.000 0.272 314 L C 0.550 177.401 176.870 -0.031 0.000 1.189 314 L CA 0.465 55.269 54.840 -0.060 0.000 0.846 314 L CB 0.366 42.290 42.059 -0.225 0.000 1.111 314 L HN 0.439 nan 8.230 nan 0.000 0.475 315 E N 1.861 122.043 120.200 -0.029 0.000 2.227 315 E HA 0.336 4.686 4.350 -0.000 0.000 0.268 315 E C -1.002 175.579 176.600 -0.033 0.000 0.907 315 E CA -0.879 55.511 56.400 -0.016 0.000 0.786 315 E CB 1.756 31.457 29.700 0.002 0.000 1.191 315 E HN 0.274 nan 8.360 nan 0.000 0.411 316 L N 3.009 124.217 121.223 -0.025 0.000 2.559 316 L HA 0.276 4.616 4.340 -0.000 0.000 0.274 316 L C 1.092 177.948 176.870 -0.023 0.000 1.205 316 L CA 1.868 56.691 54.840 -0.029 0.000 0.907 316 L CB -0.287 41.761 42.059 -0.018 0.000 1.153 316 L HN 0.708 nan 8.230 nan 0.000 0.490 317 G N 4.106 112.884 108.800 -0.037 0.000 2.168 317 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.257 317 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.257 317 G C 0.533 175.392 174.900 -0.068 0.000 0.997 317 G CA 0.669 45.749 45.100 -0.032 0.000 0.708 317 G HN 0.687 nan 8.290 nan 0.000 0.520 318 R N 1.043 121.508 120.500 -0.058 0.000 2.477 318 R HA 0.345 4.685 4.340 -0.000 0.000 0.285 318 R C -2.405 173.882 176.300 -0.021 0.000 1.415 318 R CA -1.612 54.459 56.100 -0.048 0.000 1.446 318 R CB 1.761 32.049 30.300 -0.020 0.000 1.110 318 R HN 0.226 nan 8.270 nan 0.000 0.590 319 P HA -0.012 nan 4.420 nan 0.000 0.271 319 P C -0.358 177.000 177.300 0.096 0.000 1.218 319 P CA -0.026 63.096 63.100 0.037 0.000 0.780 319 P CB 1.122 32.849 31.700 0.044 0.000 0.901 320 Q N 0.031 119.910 119.800 0.133 0.000 2.402 320 Q HA 0.163 4.503 4.340 -0.000 0.000 0.206 320 Q C -0.003 176.141 176.000 0.240 0.000 0.919 320 Q CA 0.516 56.426 55.803 0.179 0.000 0.923 320 Q CB 0.487 29.363 28.738 0.231 0.000 1.048 320 Q HN 0.263 nan 8.270 nan 0.000 0.515 321 V N 0.661 120.697 119.914 0.204 0.000 2.686 321 V HA 0.357 4.477 4.120 -0.000 0.000 0.306 321 V C -0.879 175.292 176.094 0.129 0.000 1.065 321 V CA -0.833 61.588 62.300 0.201 0.000 0.894 321 V CB 2.356 34.266 31.823 0.146 0.000 1.004 321 V HN -0.237 nan 8.190 nan 0.000 0.424 322 V N 5.836 125.806 119.914 0.094 0.000 2.483 322 V HA 0.561 4.681 4.120 -0.000 0.000 0.297 322 V C -0.510 175.576 176.094 -0.013 0.000 1.027 322 V CA -0.320 62.005 62.300 0.043 0.000 0.855 322 V CB 1.796 33.626 31.823 0.012 0.000 0.995 322 V HN 0.708 nan 8.190 nan 0.000 0.424 323 I N 5.203 125.765 120.570 -0.014 0.000 2.389 323 I HA 0.514 4.684 4.170 -0.000 0.000 0.288 323 I C -0.520 175.557 176.117 -0.066 0.000 0.999 323 I CA -0.832 60.431 61.300 -0.062 0.000 1.129 323 I CB 2.060 40.054 38.000 -0.010 0.000 1.288 323 I HN 0.251 nan 8.210 nan 0.000 0.444 324 V N 4.763 124.607 119.914 -0.117 0.000 2.532 324 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 324 V C 0.017 176.024 176.094 -0.145 0.000 1.041 324 V CA -0.274 61.945 62.300 -0.135 0.000 0.926 324 V CB 1.965 33.677 31.823 -0.184 0.000 0.992 324 V HN 0.808 nan 8.190 nan 0.000 0.457 325 S N 5.109 120.720 115.700 -0.150 0.000 2.536 325 S HA 0.584 5.054 4.470 -0.000 0.000 0.287 325 S C -2.034 172.434 174.600 -0.221 0.000 1.101 325 S CA -1.438 56.678 58.200 -0.140 0.000 0.950 325 S CB 2.430 65.590 63.200 -0.066 0.000 1.056 325 S HN 0.559 nan 8.310 nan 0.000 0.481 326 P HA 0.133 nan 4.420 nan 0.000 0.233 326 P C 0.200 177.529 177.300 0.048 0.000 1.167 326 P CA 0.499 63.474 63.100 -0.209 0.000 0.770 326 P CB 0.085 31.759 31.700 -0.043 0.000 0.837 327 T N -0.561 113.998 114.554 0.009 0.000 2.912 327 T HA 0.300 4.650 4.350 -0.000 0.000 0.299 327 T C 1.111 175.808 174.700 -0.005 0.000 1.052 327 T CA -0.531 61.594 62.100 0.042 0.000 0.996 327 T CB 2.112 71.002 68.868 0.036 0.000 1.070 327 T HN -0.160 nan 8.240 nan 0.000 0.465 328 R N 1.221 121.726 120.500 0.009 0.000 2.080 328 R HA -0.113 4.227 4.340 -0.000 0.000 0.236 328 R C 1.683 177.842 176.300 -0.236 0.000 1.137 328 R CA 1.607 57.648 56.100 -0.099 0.000 0.943 328 R CB -0.061 30.266 30.300 0.044 0.000 0.846 328 R HN 0.550 nan 8.270 nan 0.000 0.431 329 E N 0.738 120.867 120.200 -0.118 0.000 2.153 329 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 329 E C 1.711 178.260 176.600 -0.086 0.000 0.988 329 E CA 0.608 56.943 56.400 -0.109 0.000 0.811 329 E CB -0.177 29.498 29.700 -0.041 0.000 0.746 329 E HN 0.104 nan 8.360 nan 0.000 0.466 330 L N 0.361 121.551 121.223 -0.055 0.000 2.093 330 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 330 L C 1.998 178.848 176.870 -0.034 0.000 1.085 330 L CA 1.865 56.691 54.840 -0.024 0.000 0.755 330 L CB -0.852 41.204 42.059 -0.006 0.000 0.904 330 L HN 0.108 nan 8.230 nan 0.000 0.435 331 A N -0.140 122.629 122.820 -0.087 0.000 1.877 331 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 331 A C 2.276 179.814 177.584 -0.076 0.000 1.186 331 A CA 2.147 54.133 52.037 -0.085 0.000 0.620 331 A CB -0.910 18.002 19.000 -0.147 0.000 0.822 331 A HN 0.480 nan 8.150 nan 0.000 0.443 332 I N -0.467 119.984 120.570 -0.199 0.000 2.208 332 I HA -0.345 3.825 4.170 -0.000 0.000 0.245 332 I C 2.834 178.991 176.117 0.066 0.000 1.097 332 I CA 1.965 63.198 61.300 -0.113 0.000 1.363 332 I CB -0.323 37.563 38.000 -0.189 0.000 1.051 332 I HN 0.573 nan 8.210 nan 0.000 0.413 333 Q N 1.275 121.084 119.800 0.014 0.000 2.050 333 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 333 Q C 2.361 178.378 176.000 0.027 0.000 0.980 333 Q CA 1.729 57.544 55.803 0.021 0.000 0.840 333 Q CB -0.041 28.703 28.738 0.010 0.000 0.898 333 Q HN 0.517 nan 8.270 nan 0.000 0.424 334 I N 0.395 120.998 120.570 0.055 0.000 2.226 334 I HA -0.239 3.930 4.170 -0.000 0.000 0.245 334 I C 2.205 178.369 176.117 0.078 0.000 1.100 334 I CA 0.929 62.270 61.300 0.069 0.000 1.374 334 I CB -0.341 37.737 38.000 0.130 0.000 1.057 334 I HN 0.285 nan 8.210 nan 0.000 0.413 335 F N 2.322 122.245 119.950 -0.045 0.000 2.095 335 F HA -0.283 4.244 4.527 -0.000 0.000 0.298 335 F C 2.053 177.802 175.800 -0.085 0.000 1.104 335 F CA 2.161 60.131 58.000 -0.050 0.000 1.232 335 F CB -0.667 38.303 39.000 -0.050 0.000 0.987 335 F HN 0.074 nan 8.300 nan 0.000 0.475 336 N N -0.250 118.380 118.700 -0.117 0.000 2.244 336 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 336 N C 1.642 176.924 175.510 -0.380 0.000 1.016 336 N CA 1.069 53.938 53.050 -0.302 0.000 0.866 336 N CB -0.113 38.296 38.487 -0.130 0.000 0.980 336 N HN 0.277 nan 8.380 nan 0.000 0.430 337 E N 0.901 120.926 120.200 -0.291 0.000 2.072 337 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 337 E C 2.044 178.373 176.600 -0.452 0.000 0.985 337 E CA 0.718 56.870 56.400 -0.414 0.000 0.801 337 E CB -0.350 29.221 29.700 -0.215 0.000 0.750 337 E HN 0.387 nan 8.360 nan 0.000 0.452 338 A N 1.513 124.185 122.820 -0.246 0.000 1.933 338 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 338 A C 2.184 179.606 177.584 -0.269 0.000 1.175 338 A CA 1.384 53.328 52.037 -0.155 0.000 0.628 338 A CB -0.429 18.518 19.000 -0.088 0.000 0.814 338 A HN 0.103 nan 8.150 nan 0.000 0.444 339 R N -0.672 119.564 120.500 -0.439 0.000 2.092 339 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 339 R C 2.320 178.375 176.300 -0.409 0.000 1.119 339 R CA 1.520 57.365 56.100 -0.425 0.000 0.970 339 R CB -0.226 29.748 30.300 -0.543 0.000 0.864 339 R HN 0.603 nan 8.270 nan 0.000 0.440 340 K N 0.218 120.240 120.400 -0.630 0.000 2.002 340 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 340 K C 1.590 177.802 176.600 -0.647 0.000 1.048 340 K CA 1.503 57.211 56.287 -0.965 0.000 0.930 340 K CB -0.050 31.722 32.500 -1.213 0.000 0.714 340 K HN -0.004 nan 8.250 nan 0.000 0.438 341 F N 0.216 120.013 119.950 -0.254 0.000 2.502 341 F HA 0.055 4.581 4.527 -0.000 0.000 0.298 341 F C 1.912 177.671 175.800 -0.068 0.000 1.111 341 F CA 0.666 58.585 58.000 -0.135 0.000 1.445 341 F CB -0.276 38.637 39.000 -0.145 0.000 1.081 341 F HN 0.084 nan 8.300 nan 0.000 0.558 342 A N -0.982 121.866 122.820 0.046 0.000 2.387 342 A HA 0.122 4.442 4.320 -0.000 0.000 0.234 342 A C 0.424 178.008 177.584 -0.001 0.000 1.253 342 A CA -0.468 51.575 52.037 0.010 0.000 0.894 342 A CB -1.122 17.850 19.000 -0.047 0.000 0.963 342 A HN 0.118 nan 8.150 nan 0.000 0.508 343 F N 1.968 121.851 119.950 -0.113 0.000 2.604 343 F HA 0.055 4.582 4.527 -0.000 0.000 0.393 343 F C 1.078 176.840 175.800 -0.062 0.000 1.043 343 F CA 1.316 59.264 58.000 -0.087 0.000 1.227 343 F CB -0.159 38.865 39.000 0.041 0.000 1.016 343 F HN 0.607 nan 8.300 nan 0.000 0.556 344 E N 1.536 121.233 120.200 -0.838 0.000 3.065 344 E HA -0.273 4.077 4.350 -0.000 0.000 0.277 344 E C 0.032 176.362 176.600 -0.449 0.000 1.008 344 E CA 0.750 56.715 56.400 -0.724 0.000 0.864 344 E CB -1.205 28.055 29.700 -0.734 0.000 1.439 344 E HN 0.655 nan 8.360 nan 0.000 0.445 345 S N -1.231 114.271 115.700 -0.329 0.000 2.758 345 S HA 0.456 4.926 4.470 -0.000 0.000 0.292 345 S C 0.294 174.702 174.600 -0.321 0.000 1.131 345 S CA -0.630 57.466 58.200 -0.174 0.000 0.997 345 S CB 0.699 63.856 63.200 -0.070 0.000 1.111 345 S HN 0.196 nan 8.310 nan 0.000 0.552 346 Y N 0.012 120.263 120.300 -0.083 0.000 2.571 346 Y HA 0.434 4.984 4.550 -0.000 0.000 0.275 346 Y C 0.195 176.077 175.900 -0.030 0.000 1.179 346 Y CA -0.504 57.567 58.100 -0.048 0.000 1.242 346 Y CB -0.178 38.271 38.460 -0.019 0.000 1.126 346 Y HN 0.323 nan 8.280 nan 0.000 0.524 347 L N 1.639 122.836 121.223 -0.043 0.000 2.410 347 L HA 0.137 4.477 4.340 -0.000 0.000 0.273 347 L C 0.043 176.967 176.870 0.089 0.000 1.152 347 L CA 0.199 54.970 54.840 -0.115 0.000 0.855 347 L CB 0.567 42.522 42.059 -0.173 0.000 1.129 347 L HN 0.068 nan 8.230 nan 0.000 0.463 348 K N 4.495 125.104 120.400 0.348 0.000 2.235 348 K HA 0.526 4.846 4.320 -0.000 0.000 0.266 348 K C -0.931 175.755 176.600 0.143 0.000 0.980 348 K CA -0.759 55.638 56.287 0.184 0.000 0.849 348 K CB 1.943 34.536 32.500 0.155 0.000 1.098 348 K HN 0.323 nan 8.250 nan 0.000 0.445 349 I N 2.052 122.668 120.570 0.076 0.000 2.359 349 I HA 0.423 4.593 4.170 -0.000 0.000 0.294 349 I C 0.689 176.968 176.117 0.270 0.000 0.987 349 I CA -0.581 60.783 61.300 0.107 0.000 1.225 349 I CB 0.980 38.939 38.000 -0.069 0.000 1.366 349 I HN 0.694 nan 8.210 nan 0.000 0.466 350 G N 5.554 114.514 108.800 0.266 0.000 2.569 350 G HA2 0.803 4.763 3.960 -0.000 0.000 0.300 350 G HA3 0.803 4.763 3.960 -0.000 0.000 0.300 350 G C -1.500 173.455 174.900 0.092 0.000 1.269 350 G CA -0.554 44.651 45.100 0.176 0.000 0.959 350 G HN 0.562 nan 8.290 nan 0.000 0.478 351 I N -0.140 120.312 120.570 -0.196 0.000 2.769 351 I HA 0.725 4.895 4.170 -0.000 0.000 0.298 351 I C -1.498 174.503 176.117 -0.193 0.000 1.128 351 I CA -1.066 60.076 61.300 -0.264 0.000 1.031 351 I CB 2.398 39.973 38.000 -0.707 0.000 1.235 351 I HN 0.367 nan 8.210 nan 0.000 0.423 352 V N 7.689 127.558 119.914 -0.075 0.000 2.567 352 V HA 0.569 4.689 4.120 -0.000 0.000 0.298 352 V C -1.613 174.577 176.094 0.161 0.000 1.047 352 V CA -0.271 61.988 62.300 -0.069 0.000 0.880 352 V CB 1.784 33.419 31.823 -0.313 0.000 1.009 352 V HN 0.711 nan 8.190 nan 0.000 0.429 353 Y N 2.926 123.220 120.300 -0.011 0.000 2.624 353 Y HA 0.861 5.411 4.550 -0.000 0.000 0.334 353 Y C 0.210 176.166 175.900 0.093 0.000 1.155 353 Y CA -0.694 57.431 58.100 0.041 0.000 1.046 353 Y CB 1.176 39.641 38.460 0.010 0.000 1.316 353 Y HN 0.710 nan 8.280 nan 0.000 0.457 354 G N 0.042 108.938 108.800 0.161 0.000 2.667 354 G HA2 0.412 4.372 3.960 -0.000 0.000 0.250 354 G HA3 0.412 4.372 3.960 -0.000 0.000 0.250 354 G C 0.854 175.789 174.900 0.059 0.000 1.212 354 G CA -0.262 44.895 45.100 0.095 0.000 0.874 354 G HN 2.082 nan 8.290 nan 0.000 0.561 355 G N -1.336 107.505 108.800 0.068 0.000 2.143 355 G HA2 0.016 3.976 3.960 -0.000 0.000 0.248 355 G HA3 0.016 3.976 3.960 -0.000 0.000 0.248 355 G C 0.442 175.418 174.900 0.127 0.000 0.991 355 G CA 1.343 46.503 45.100 0.099 0.000 0.689 355 G HN 1.941 nan 8.290 nan 0.000 0.522 356 T N -3.029 111.527 114.554 0.003 0.000 2.887 356 T HA 0.723 5.073 4.350 -0.000 0.000 0.292 356 T C 0.209 174.906 174.700 -0.006 0.000 1.087 356 T CA 0.328 62.399 62.100 -0.048 0.000 1.009 356 T CB 1.692 70.360 68.868 -0.334 0.000 1.203 356 T HN 1.357 nan 8.240 nan 0.000 0.518 357 S N 0.495 116.183 115.700 -0.020 0.000 2.481 357 S HA 0.140 4.610 4.470 -0.000 0.000 0.282 357 S C 0.775 175.429 174.600 0.089 0.000 1.243 357 S CA -0.775 57.456 58.200 0.052 0.000 1.078 357 S CB -0.920 62.301 63.200 0.036 0.000 0.916 357 S HN 0.655 nan 8.310 nan 0.000 0.495 358 F N 5.680 125.623 119.950 -0.012 0.000 2.134 358 F HA -0.053 4.474 4.527 0.000 0.000 0.299 358 F C 2.366 178.163 175.800 -0.004 0.000 1.097 358 F CA 1.906 59.890 58.000 -0.026 0.000 1.264 358 F CB -0.167 38.773 39.000 -0.100 0.000 1.001 358 F HN 0.703 nan 8.300 nan 0.000 0.479 359 R N -0.882 119.763 120.500 0.241 0.000 2.083 359 R HA -0.274 4.066 4.340 -0.000 0.000 0.237 359 R C 2.361 178.682 176.300 0.036 0.000 1.137 359 R CA 2.092 58.277 56.100 0.143 0.000 0.951 359 R CB -0.741 29.634 30.300 0.125 0.000 0.851 359 R HN 0.504 nan 8.270 nan 0.000 0.434 360 H N 0.105 119.150 119.070 -0.041 0.000 2.387 360 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 360 H C 1.896 177.162 175.328 -0.104 0.000 1.090 360 H CA 2.068 58.070 56.048 -0.077 0.000 1.332 360 H CB 0.098 29.798 29.762 -0.102 0.000 1.386 360 H HN 0.326 nan 8.280 nan 0.000 0.516 361 Q N -0.467 119.212 119.800 -0.201 0.000 2.119 361 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 361 Q C 2.048 177.938 176.000 -0.183 0.000 0.972 361 Q CA 1.197 56.851 55.803 -0.248 0.000 0.847 361 Q CB -0.076 28.572 28.738 -0.149 0.000 0.903 361 Q HN 0.459 nan 8.270 nan 0.000 0.433 362 N N 1.120 119.751 118.700 -0.114 0.000 2.188 362 N HA -0.169 4.571 4.740 -0.000 0.000 0.184 362 N C 1.308 176.736 175.510 -0.136 0.000 1.018 362 N CA 1.276 54.306 53.050 -0.033 0.000 0.858 362 N CB 0.117 38.504 38.487 -0.167 0.000 0.989 362 N HN 0.246 nan 8.380 nan 0.000 0.426 363 E N -0.521 119.576 120.200 -0.172 0.000 2.058 363 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 363 E C 2.125 178.617 176.600 -0.181 0.000 0.997 363 E CA 1.490 57.791 56.400 -0.165 0.000 0.801 363 E CB -0.251 29.357 29.700 -0.153 0.000 0.746 363 E HN 0.464 nan 8.360 nan 0.000 0.450 364 C N 0.916 120.063 119.300 -0.254 0.000 2.425 364 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 364 C C 2.536 177.427 174.990 -0.165 0.000 1.280 364 C CA -0.005 58.885 59.018 -0.213 0.000 1.744 364 C CB -0.692 26.882 27.740 -0.277 0.000 1.989 364 C HN 0.409 nan 8.230 nan 0.000 0.491 365 I N 1.235 121.689 120.570 -0.193 0.000 2.233 365 I HA -0.136 4.034 4.170 -0.000 0.000 0.243 365 I C 2.552 178.587 176.117 -0.136 0.000 1.093 365 I CA 1.704 62.890 61.300 -0.190 0.000 1.380 365 I CB -1.768 36.065 38.000 -0.278 0.000 1.067 365 I HN 0.288 nan 8.210 nan 0.000 0.413 366 T N 1.104 115.580 114.554 -0.130 0.000 2.760 366 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 366 T C 1.857 176.502 174.700 -0.092 0.000 1.047 366 T CA 1.297 63.327 62.100 -0.116 0.000 1.139 366 T CB -0.328 68.459 68.868 -0.135 0.000 0.855 366 T HN 0.342 nan 8.240 nan 0.000 0.471 367 R N 0.648 121.096 120.500 -0.087 0.000 2.285 367 R HA 0.240 4.580 4.340 -0.000 0.000 0.213 367 R C 1.103 177.363 176.300 -0.068 0.000 1.068 367 R CA 0.373 56.434 56.100 -0.066 0.000 1.004 367 R CB -0.112 30.155 30.300 -0.055 0.000 0.873 367 R HN 0.433 nan 8.270 nan 0.000 0.467 368 G N 0.287 109.036 108.800 -0.086 0.000 3.209 368 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 368 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 368 G C -0.717 174.115 174.900 -0.114 0.000 1.065 368 G CA -1.049 43.987 45.100 -0.106 0.000 0.812 368 G HN 0.199 nan 8.290 nan 0.000 0.573 369 C N 3.401 122.628 119.300 -0.121 0.000 2.547 369 C HA 0.668 5.128 4.460 -0.000 0.000 0.313 369 C C 1.337 176.280 174.990 -0.079 0.000 1.191 369 C CA -0.821 58.155 59.018 -0.069 0.000 1.474 369 C CB 1.503 29.223 27.740 -0.032 0.000 2.081 369 C HN 0.890 nan 8.230 nan 0.000 0.476 370 H N 0.451 119.543 119.070 0.036 0.000 2.415 370 H HA 0.117 4.673 4.556 -0.000 0.000 0.297 370 H C 0.242 175.607 175.328 0.061 0.000 1.048 370 H CA 1.399 57.480 56.048 0.056 0.000 1.365 370 H CB 0.470 30.269 29.762 0.061 0.000 1.421 370 H HN 0.345 nan 8.280 nan 0.000 0.533 371 V N 1.951 121.976 119.914 0.185 0.000 2.588 371 V HA 0.272 4.392 4.120 -0.000 0.000 0.304 371 V C -0.316 175.838 176.094 0.101 0.000 1.042 371 V CA -0.673 61.705 62.300 0.129 0.000 0.877 371 V CB 2.595 34.484 31.823 0.110 0.000 0.996 371 V HN -0.130 nan 8.190 nan 0.000 0.425 372 V N 6.002 125.962 119.914 0.077 0.000 2.444 372 V HA 0.534 4.654 4.120 -0.000 0.000 0.294 372 V C -0.528 175.598 176.094 0.053 0.000 1.022 372 V CA -0.503 61.822 62.300 0.042 0.000 0.850 372 V CB 1.729 33.536 31.823 -0.026 0.000 0.992 372 V HN 0.656 nan 8.190 nan 0.000 0.426 373 I N 3.982 124.595 120.570 0.072 0.000 2.428 373 I HA 0.874 5.044 4.170 -0.000 0.000 0.296 373 I C 0.420 176.544 176.117 0.011 0.000 0.985 373 I CA 0.117 61.456 61.300 0.065 0.000 1.260 373 I CB 1.664 39.746 38.000 0.136 0.000 1.389 373 I HN 0.842 nan 8.210 nan 0.000 0.484 374 A N 2.623 125.443 122.820 -0.000 0.000 2.601 374 A HA 0.772 5.092 4.320 -0.000 0.000 0.291 374 A C -0.730 176.850 177.584 -0.006 0.000 1.075 374 A CA -0.645 51.396 52.037 0.007 0.000 0.671 374 A CB 1.040 20.042 19.000 0.003 0.000 1.277 374 A HN 0.633 nan 8.150 nan 0.000 0.417 375 T N -0.191 114.389 114.554 0.042 0.000 2.902 375 T HA 0.593 4.943 4.350 -0.000 0.000 0.283 375 T C -2.099 172.624 174.700 0.037 0.000 1.009 375 T CA -1.674 60.438 62.100 0.021 0.000 1.051 375 T CB 1.309 70.241 68.868 0.107 0.000 0.999 375 T HN 0.246 nan 8.240 nan 0.000 0.474 376 P HA -0.130 nan 4.420 nan 0.000 0.215 376 P C 1.904 179.283 177.300 0.131 0.000 1.163 376 P CA 1.583 64.709 63.100 0.044 0.000 0.894 376 P CB -0.386 31.337 31.700 0.039 0.000 0.791 377 G N -0.286 108.620 108.800 0.176 0.000 2.514 377 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.217 377 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.217 377 G C 1.831 176.841 174.900 0.183 0.000 1.198 377 G CA 1.345 46.548 45.100 0.170 0.000 0.780 377 G HN 0.174 nan 8.290 nan 0.000 0.565 378 R N -0.063 120.561 120.500 0.207 0.000 2.096 378 R HA 0.036 4.376 4.340 -0.000 0.000 0.235 378 R C 2.420 178.939 176.300 0.366 0.000 1.127 378 R CA 1.140 57.411 56.100 0.284 0.000 0.968 378 R CB -0.804 29.653 30.300 0.261 0.000 0.861 378 R HN 0.369 nan 8.270 nan 0.000 0.440 379 L N -0.272 121.098 121.223 0.245 0.000 1.994 379 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 379 L C 1.676 178.697 176.870 0.252 0.000 1.071 379 L CA 1.717 56.688 54.840 0.219 0.000 0.745 379 L CB -0.728 41.410 42.059 0.133 0.000 0.892 379 L HN 0.229 nan 8.230 nan 0.000 0.431 380 L N -0.155 121.185 121.223 0.195 0.000 2.191 380 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 380 L C 2.215 179.172 176.870 0.145 0.000 1.103 380 L CA 1.682 56.615 54.840 0.156 0.000 0.769 380 L CB -1.461 40.676 42.059 0.129 0.000 0.908 380 L HN 0.468 nan 8.230 nan 0.000 0.438 381 D N -1.122 119.395 120.400 0.194 0.000 2.123 381 D HA -0.205 4.435 4.640 -0.000 0.000 0.200 381 D C 2.208 178.598 176.300 0.150 0.000 0.976 381 D CA 1.101 55.180 54.000 0.131 0.000 0.831 381 D CB -0.020 40.884 40.800 0.173 0.000 0.974 381 D HN 0.259 nan 8.370 nan 0.000 0.469 382 F N -0.017 120.078 119.950 0.242 0.000 2.186 382 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 382 F C 2.499 178.313 175.800 0.024 0.000 1.090 382 F CA 0.628 58.775 58.000 0.243 0.000 1.307 382 F CB -0.223 38.866 39.000 0.147 0.000 1.019 382 F HN -0.118 nan 8.300 nan 0.000 0.489 383 V N -0.302 119.699 119.914 0.145 0.000 2.358 383 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 383 V C 1.748 177.813 176.094 -0.049 0.000 1.047 383 V CA 1.950 64.216 62.300 -0.057 0.000 1.035 383 V CB -0.506 31.248 31.823 -0.115 0.000 0.658 383 V HN 0.241 nan 8.190 nan 0.000 0.452 384 D N -0.042 120.344 120.400 -0.024 0.000 2.269 384 D HA -0.080 4.560 4.640 -0.000 0.000 0.208 384 D C 2.230 178.431 176.300 -0.166 0.000 0.963 384 D CA 0.801 54.770 54.000 -0.050 0.000 0.864 384 D CB -0.154 40.625 40.800 -0.034 0.000 0.936 384 D HN 0.372 nan 8.370 nan 0.000 0.505 385 R N -0.357 119.958 120.500 -0.308 0.000 2.310 385 R HA 0.080 4.420 4.340 -0.000 0.000 0.202 385 R C 0.239 176.144 176.300 -0.658 0.000 0.933 385 R CA 0.304 56.032 56.100 -0.620 0.000 1.054 385 R CB 0.242 29.895 30.300 -1.078 0.000 0.985 385 R HN -0.113 nan 8.270 nan 0.000 0.489 386 T N -0.687 113.691 114.554 -0.294 0.000 4.886 386 T HA -0.195 4.155 4.350 -0.000 0.000 0.295 386 T C 0.464 175.220 174.700 0.093 0.000 1.495 386 T CA 1.035 63.076 62.100 -0.098 0.000 2.670 386 T CB -1.953 66.883 68.868 -0.053 0.000 1.686 386 T HN 0.388 nan 8.240 nan 0.000 0.981 387 F N 0.072 120.072 119.950 0.084 0.000 2.664 387 F HA 0.401 4.928 4.527 -0.000 0.000 0.296 387 F C 1.235 177.085 175.800 0.085 0.000 1.125 387 F CA -0.025 58.061 58.000 0.143 0.000 1.444 387 F CB 0.465 39.652 39.000 0.312 0.000 1.114 387 F HN 0.296 nan 8.300 nan 0.000 0.576 388 I N -0.403 120.258 120.570 0.153 0.000 2.569 388 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 388 I C -0.381 175.492 176.117 -0.407 0.000 1.088 388 I CA -0.345 60.879 61.300 -0.128 0.000 1.047 388 I CB 2.479 40.372 38.000 -0.177 0.000 1.237 388 I HN -0.307 nan 8.210 nan 0.000 0.421 389 T N 4.238 118.501 114.554 -0.485 0.000 2.883 389 T HA 0.573 4.923 4.350 -0.000 0.000 0.296 389 T C -0.539 173.806 174.700 -0.591 0.000 1.117 389 T CA -0.253 61.517 62.100 -0.550 0.000 1.006 389 T CB 1.030 69.799 68.868 -0.164 0.000 1.191 389 T HN 0.331 nan 8.240 nan 0.000 0.508 390 F N 1.403 121.362 119.950 0.015 0.000 2.708 390 F HA 0.257 4.784 4.527 -0.000 0.000 0.300 390 F C 2.126 177.930 175.800 0.007 0.000 1.118 390 F CA -0.657 57.339 58.000 -0.007 0.000 1.307 390 F CB 0.552 39.530 39.000 -0.036 0.000 0.986 390 F HN 0.589 nan 8.300 nan 0.000 0.522 391 E N -0.343 119.937 120.200 0.133 0.000 2.268 391 E HA -0.152 4.197 4.350 -0.000 0.000 0.195 391 E C 0.268 176.907 176.600 0.066 0.000 0.995 391 E CA 1.080 57.539 56.400 0.099 0.000 0.836 391 E CB -0.214 29.528 29.700 0.070 0.000 0.763 391 E HN 0.356 nan 8.360 nan 0.000 0.491 392 D N 1.164 121.599 120.400 0.059 0.000 2.363 392 D HA 0.055 4.695 4.640 -0.000 0.000 0.214 392 D C -0.316 176.011 176.300 0.044 0.000 1.093 392 D CA 0.147 54.163 54.000 0.027 0.000 0.837 392 D CB 0.438 41.252 40.800 0.023 0.000 0.948 392 D HN -0.025 nan 8.370 nan 0.000 0.507 393 T N 1.068 115.671 114.554 0.082 0.000 2.750 393 T HA 0.161 4.511 4.350 -0.000 0.000 0.286 393 T C 1.473 176.189 174.700 0.026 0.000 0.911 393 T CA -0.038 62.111 62.100 0.082 0.000 1.130 393 T CB 1.052 69.970 68.868 0.083 0.000 0.873 393 T HN 0.022 nan 8.240 nan 0.000 0.536 394 R N 1.620 122.144 120.500 0.039 0.000 2.265 394 R HA 0.200 4.540 4.340 -0.000 0.000 0.194 394 R C -0.435 175.616 176.300 -0.416 0.000 0.931 394 R CA 0.541 56.540 56.100 -0.167 0.000 1.032 394 R CB 0.390 30.548 30.300 -0.236 0.000 0.980 394 R HN 0.442 nan 8.270 nan 0.000 0.497 395 F N -0.333 119.661 119.950 0.073 0.000 2.569 395 F HA 0.379 4.906 4.527 -0.000 0.000 0.312 395 F C -0.509 175.290 175.800 -0.002 0.000 1.109 395 F CA -1.142 56.900 58.000 0.070 0.000 0.919 395 F CB 2.049 41.093 39.000 0.073 0.000 1.211 395 F HN -0.430 nan 8.300 nan 0.000 0.446 396 V N 3.876 123.885 119.914 0.159 0.000 2.443 396 V HA 0.544 4.664 4.120 -0.000 0.000 0.293 396 V C -0.790 175.306 176.094 0.003 0.000 1.021 396 V CA -0.771 61.523 62.300 -0.010 0.000 0.848 396 V CB 1.820 33.547 31.823 -0.160 0.000 0.998 396 V HN 0.543 nan 8.190 nan 0.000 0.424 397 V N 6.286 126.155 119.914 -0.075 0.000 2.459 397 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 397 V C -0.189 175.787 176.094 -0.197 0.000 1.029 397 V CA -0.542 61.651 62.300 -0.178 0.000 0.874 397 V CB 1.898 33.452 31.823 -0.448 0.000 0.985 397 V HN 0.637 nan 8.190 nan 0.000 0.438 398 L N 4.017 125.157 121.223 -0.137 0.000 2.301 398 L HA 0.482 4.822 4.340 -0.000 0.000 0.278 398 L C -0.340 176.485 176.870 -0.076 0.000 1.022 398 L CA -0.383 54.387 54.840 -0.117 0.000 0.854 398 L CB 1.277 43.294 42.059 -0.070 0.000 1.226 398 L HN 0.585 nan 8.230 nan 0.000 0.429 399 D N 3.375 123.706 120.400 -0.115 0.000 2.313 399 D HA 0.072 4.712 4.640 -0.000 0.000 0.247 399 D C 0.523 176.821 176.300 -0.003 0.000 1.094 399 D CA 0.231 54.229 54.000 -0.002 0.000 0.925 399 D CB 0.952 41.781 40.800 0.048 0.000 1.188 399 D HN 0.389 nan 8.370 nan 0.000 0.430 400 E N 1.145 121.374 120.200 0.048 0.000 2.440 400 E HA -0.264 4.086 4.350 -0.000 0.000 0.246 400 E C 0.997 177.525 176.600 -0.120 0.000 1.165 400 E CA 0.752 57.129 56.400 -0.039 0.000 0.726 400 E CB -1.917 27.733 29.700 -0.084 0.000 1.271 400 E HN 0.528 nan 8.360 nan 0.000 0.397 401 A N 1.349 124.108 122.820 -0.103 0.000 1.915 401 A HA -0.324 3.996 4.320 -0.000 0.000 0.220 401 A C 1.930 179.335 177.584 -0.298 0.000 1.198 401 A CA 2.380 54.336 52.037 -0.136 0.000 0.647 401 A CB -0.400 18.633 19.000 0.053 0.000 0.825 401 A HN 0.513 nan 8.150 nan 0.000 0.456 402 D N -0.596 119.385 120.400 -0.700 0.000 2.149 402 D HA -0.228 4.412 4.640 -0.000 0.000 0.198 402 D C 1.891 178.072 176.300 -0.199 0.000 0.990 402 D CA 1.711 55.342 54.000 -0.615 0.000 0.839 402 D CB -0.510 39.843 40.800 -0.743 0.000 0.948 402 D HN 0.412 nan 8.370 nan 0.000 0.460 403 R N -0.207 120.203 120.500 -0.150 0.000 2.090 403 R HA 0.063 4.403 4.340 -0.000 0.000 0.228 403 R C 2.184 178.550 176.300 0.109 0.000 1.110 403 R CA 0.840 56.935 56.100 -0.009 0.000 0.973 403 R CB -0.397 29.888 30.300 -0.025 0.000 0.869 403 R HN 0.084 nan 8.270 nan 0.000 0.440 404 M N -0.132 119.459 119.600 -0.015 0.000 2.476 404 M HA 0.018 4.498 4.480 -0.000 0.000 0.262 404 M C 1.382 177.728 176.300 0.077 0.000 1.079 404 M CA 1.094 56.365 55.300 -0.048 0.000 1.104 404 M CB -0.374 32.119 32.600 -0.178 0.000 1.409 404 M HN 0.153 nan 8.290 nan 0.000 0.467 405 L N -1.180 120.094 121.223 0.084 0.000 2.640 405 L HA 0.111 4.451 4.340 -0.000 0.000 0.230 405 L C 0.567 177.524 176.870 0.145 0.000 1.123 405 L CA -0.298 54.632 54.840 0.149 0.000 0.900 405 L CB -0.010 42.162 42.059 0.189 0.000 1.146 405 L HN 0.085 nan 8.230 nan 0.000 0.484 406 D N -0.296 120.178 120.400 0.124 0.000 2.383 406 D HA 0.104 4.744 4.640 -0.000 0.000 0.248 406 D C 1.411 177.764 176.300 0.088 0.000 1.170 406 D CA -0.115 53.941 54.000 0.094 0.000 0.977 406 D CB 0.940 41.778 40.800 0.063 0.000 1.120 406 D HN -0.090 nan 8.370 nan 0.000 0.481 407 M N 0.543 120.174 119.600 0.052 0.000 2.124 407 M HA -0.227 4.253 4.480 -0.000 0.000 0.253 407 M C 2.026 178.325 176.300 -0.003 0.000 1.077 407 M CA 2.202 57.520 55.300 0.029 0.000 1.085 407 M CB -0.885 31.721 32.600 0.010 0.000 1.320 407 M HN 0.550 nan 8.290 nan 0.000 0.404 408 G N -0.442 108.320 108.800 -0.062 0.000 2.476 408 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 408 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 408 G C 1.194 175.940 174.900 -0.257 0.000 1.164 408 G CA 0.994 45.964 45.100 -0.218 0.000 0.768 408 G HN 0.474 nan 8.290 nan 0.000 0.560 409 F N 1.004 120.964 119.950 0.017 0.000 2.720 409 F HA 0.100 4.627 4.527 -0.000 0.000 0.301 409 F C 2.831 178.648 175.800 0.027 0.000 1.103 409 F CA 0.376 58.386 58.000 0.016 0.000 1.291 409 F CB 0.388 39.389 39.000 0.001 0.000 1.086 409 F HN 0.185 nan 8.300 nan 0.000 0.592 410 S N 0.466 116.293 115.700 0.211 0.000 2.380 410 S HA -0.358 4.112 4.470 -0.000 0.000 0.229 410 S C 1.867 176.561 174.600 0.157 0.000 1.043 410 S CA 1.866 60.173 58.200 0.178 0.000 1.038 410 S CB -0.756 62.536 63.200 0.154 0.000 0.872 410 S HN 0.601 nan 8.310 nan 0.000 0.456 411 E N 1.451 121.728 120.200 0.128 0.000 2.077 411 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 411 E C 1.361 178.028 176.600 0.111 0.000 0.989 411 E CA 1.560 58.027 56.400 0.111 0.000 0.800 411 E CB -0.266 29.484 29.700 0.084 0.000 0.746 411 E HN 0.494 nan 8.360 nan 0.000 0.452 412 D N -0.275 120.202 120.400 0.128 0.000 2.183 412 D HA -0.101 4.539 4.640 -0.000 0.000 0.203 412 D C 1.696 178.029 176.300 0.055 0.000 0.969 412 D CA 0.750 54.819 54.000 0.115 0.000 0.842 412 D CB -0.080 40.822 40.800 0.170 0.000 0.957 412 D HN 0.201 nan 8.370 nan 0.000 0.484 413 M N 0.199 119.819 119.600 0.034 0.000 2.175 413 M HA -0.027 4.453 4.480 -0.000 0.000 0.264 413 M C 1.949 178.155 176.300 -0.156 0.000 1.063 413 M CA 1.226 56.464 55.300 -0.104 0.000 1.119 413 M CB -0.093 32.441 32.600 -0.110 0.000 1.377 413 M HN -0.179 nan 8.290 nan 0.000 0.415 414 R N -0.714 119.795 120.500 0.015 0.000 2.075 414 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 414 R C 2.207 178.551 176.300 0.072 0.000 1.126 414 R CA 1.440 57.607 56.100 0.113 0.000 0.963 414 R CB -0.106 30.328 30.300 0.222 0.000 0.858 414 R HN 0.311 nan 8.270 nan 0.000 0.435 415 R N -0.023 120.524 120.500 0.078 0.000 2.127 415 R HA -0.108 4.231 4.340 -0.000 0.000 0.238 415 R C 2.162 178.532 176.300 0.117 0.000 1.134 415 R CA 1.537 57.706 56.100 0.115 0.000 0.975 415 R CB -0.194 30.182 30.300 0.126 0.000 0.865 415 R HN 0.334 nan 8.270 nan 0.000 0.447 416 I N -0.156 120.409 120.570 -0.008 0.000 2.270 416 I HA -0.201 3.969 4.170 -0.000 0.000 0.239 416 I C 2.120 178.067 176.117 -0.284 0.000 1.080 416 I CA 0.697 61.906 61.300 -0.151 0.000 1.383 416 I CB -0.169 37.685 38.000 -0.243 0.000 1.097 416 I HN 0.051 nan 8.210 nan 0.000 0.420 417 M N -0.077 119.344 119.600 -0.298 0.000 2.202 417 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 417 M C 1.969 178.238 176.300 -0.051 0.000 1.063 417 M CA 1.767 56.894 55.300 -0.289 0.000 1.097 417 M CB -1.581 30.692 32.600 -0.545 0.000 1.382 417 M HN 0.162 nan 8.290 nan 0.000 0.413 418 T N -1.742 112.836 114.554 0.039 0.000 3.069 418 T HA 0.035 4.385 4.350 -0.000 0.000 0.252 418 T C 0.253 175.022 174.700 0.115 0.000 1.053 418 T CA -0.189 61.978 62.100 0.111 0.000 0.964 418 T CB -0.343 68.611 68.868 0.143 0.000 1.005 418 T HN 0.325 nan 8.240 nan 0.000 0.532 419 H N 0.852 119.950 119.070 0.046 0.000 3.119 419 H HA -0.017 4.539 4.556 -0.000 0.000 0.334 419 H C 1.393 176.794 175.328 0.123 0.000 1.042 419 H CA 0.221 56.344 56.048 0.125 0.000 1.354 419 H CB 0.593 30.523 29.762 0.280 0.000 1.285 419 H HN -0.142 nan 8.280 nan 0.000 0.601 420 V N 2.746 122.416 119.914 -0.406 0.000 2.594 420 V HA -0.262 3.858 4.120 -0.000 0.000 0.253 420 V C 2.253 178.355 176.094 0.015 0.000 1.069 420 V CA 2.370 64.564 62.300 -0.177 0.000 1.082 420 V CB -0.876 30.806 31.823 -0.235 0.000 0.680 420 V HN 1.011 nan 8.190 nan 0.000 0.469 421 T N -3.226 111.449 114.554 0.203 0.000 3.129 421 T HA 0.150 4.500 4.350 -0.000 0.000 0.251 421 T C 0.708 175.589 174.700 0.302 0.000 1.117 421 T CA -0.197 62.072 62.100 0.281 0.000 1.034 421 T CB -0.300 68.766 68.868 0.330 0.000 0.968 421 T HN 0.224 nan 8.240 nan 0.000 0.526 422 M N 3.327 123.115 119.600 0.313 0.000 2.327 422 M HA 0.195 4.675 4.480 -0.000 0.000 0.353 422 M C 0.408 176.795 176.300 0.145 0.000 1.539 422 M CA -0.718 54.700 55.300 0.196 0.000 1.039 422 M CB -0.029 32.613 32.600 0.071 0.000 1.967 422 M HN 0.190 nan 8.290 nan 0.000 0.459 423 R N 6.753 127.327 120.500 0.125 0.000 2.480 423 R HA 0.013 4.353 4.340 -0.000 0.000 0.303 423 R C -1.807 174.616 176.300 0.205 0.000 0.985 423 R CA -0.784 55.393 56.100 0.128 0.000 1.051 423 R CB 0.204 30.561 30.300 0.095 0.000 0.935 423 R HN 0.543 nan 8.270 nan 0.000 0.410 424 P HA -0.174 nan 4.420 nan 0.000 0.216 424 P C -0.515 176.825 177.300 0.066 0.000 1.153 424 P CA 1.368 64.532 63.100 0.107 0.000 0.858 424 P CB 0.199 31.934 31.700 0.057 0.000 0.789 425 E N -0.139 120.087 120.200 0.042 0.000 2.081 425 E HA 0.247 4.597 4.350 -0.000 0.000 0.276 425 E C -0.496 176.095 176.600 -0.015 0.000 0.950 425 E CA -0.343 56.032 56.400 -0.041 0.000 0.776 425 E CB 0.352 30.031 29.700 -0.034 0.000 1.094 425 E HN 0.368 nan 8.360 nan 0.000 0.402 426 H N 0.539 119.556 119.070 -0.089 0.000 3.037 426 H HA 0.293 4.849 4.556 -0.000 0.000 0.336 426 H C -1.194 174.047 175.328 -0.144 0.000 1.323 426 H CA -0.935 55.019 56.048 -0.157 0.000 1.159 426 H CB 0.610 30.303 29.762 -0.116 0.000 1.882 426 H HN 0.163 nan 8.280 nan 0.000 0.535 427 Q N 0.767 120.496 119.800 -0.119 0.000 2.235 427 Q HA 0.516 4.856 4.340 -0.000 0.000 0.250 427 Q C -0.676 175.418 176.000 0.156 0.000 0.909 427 Q CA -0.720 55.055 55.803 -0.047 0.000 0.910 427 Q CB 1.863 30.568 28.738 -0.055 0.000 1.223 427 Q HN 0.676 nan 8.270 nan 0.000 0.432 428 T N 2.966 117.591 114.554 0.117 0.000 2.809 428 T HA 0.549 4.899 4.350 -0.000 0.000 0.284 428 T C -0.711 174.050 174.700 0.101 0.000 0.992 428 T CA -0.568 61.616 62.100 0.139 0.000 0.957 428 T CB 0.416 69.364 68.868 0.133 0.000 0.942 428 T HN 0.313 nan 8.240 nan 0.000 0.439 429 L N 3.765 125.053 121.223 0.107 0.000 2.362 429 L HA 0.673 5.013 4.340 -0.000 0.000 0.275 429 L C -0.459 176.460 176.870 0.083 0.000 0.998 429 L CA -0.810 54.096 54.840 0.110 0.000 0.820 429 L CB 1.852 44.067 42.059 0.260 0.000 1.270 429 L HN 0.430 nan 8.230 nan 0.000 0.415 430 M N 3.179 122.775 119.600 -0.007 0.000 2.321 430 M HA 0.574 5.054 4.480 -0.000 0.000 0.315 430 M C -1.388 174.901 176.300 -0.018 0.000 1.052 430 M CA -0.171 55.179 55.300 0.082 0.000 0.936 430 M CB 2.313 35.005 32.600 0.154 0.000 1.639 430 M HN 0.310 nan 8.290 nan 0.000 0.433 431 F N 0.431 120.461 119.950 0.133 0.000 2.576 431 F HA 0.783 5.310 4.527 -0.000 0.000 0.313 431 F C 0.079 175.971 175.800 0.154 0.000 1.078 431 F CA -0.518 57.590 58.000 0.179 0.000 0.921 431 F CB 2.387 41.513 39.000 0.210 0.000 1.232 431 F HN 0.597 nan 8.300 nan 0.000 0.459 432 S N 0.263 116.176 115.700 0.355 0.000 2.686 432 S HA 0.569 5.039 4.470 -0.000 0.000 0.273 432 S C -0.490 174.251 174.600 0.235 0.000 1.060 432 S CA 0.086 58.431 58.200 0.240 0.000 0.845 432 S CB 0.769 63.984 63.200 0.025 0.000 1.086 432 S HN 0.923 nan 8.310 nan 0.000 0.461 433 A N 1.230 124.169 122.820 0.199 0.000 2.238 433 A HA 0.496 4.816 4.320 -0.000 0.000 0.210 433 A C 0.784 178.401 177.584 0.055 0.000 1.179 433 A CA 1.166 53.244 52.037 0.068 0.000 0.827 433 A CB -0.449 18.494 19.000 -0.095 0.000 0.856 433 A HN 1.425 nan 8.150 nan 0.000 0.488 434 T N -4.666 109.975 114.554 0.146 0.000 2.909 434 T HA 0.676 5.026 4.350 -0.000 0.000 0.299 434 T C -1.233 173.571 174.700 0.173 0.000 1.073 434 T CA -0.600 61.598 62.100 0.163 0.000 0.999 434 T CB 1.554 70.530 68.868 0.179 0.000 1.098 434 T HN 0.167 nan 8.240 nan 0.000 0.477 435 F N 1.926 121.953 119.950 0.129 0.000 3.483 435 F HA 0.428 4.955 4.527 -0.000 0.000 0.393 435 F C -2.777 173.082 175.800 0.098 0.000 1.240 435 F CA -1.741 56.331 58.000 0.121 0.000 1.320 435 F CB 1.408 40.494 39.000 0.144 0.000 1.965 435 F HN 0.424 nan 8.300 nan 0.000 0.715 436 P HA 0.042 nan 4.420 nan 0.000 0.267 436 P C 1.039 178.459 177.300 0.200 0.000 1.200 436 P CA 0.224 63.441 63.100 0.195 0.000 0.772 436 P CB 0.862 32.645 31.700 0.138 0.000 0.855 437 E N 1.671 121.942 120.200 0.119 0.000 2.070 437 E HA -0.307 4.043 4.350 -0.000 0.000 0.197 437 E C 1.453 178.094 176.600 0.069 0.000 1.004 437 E CA 1.534 57.975 56.400 0.069 0.000 0.805 437 E CB 0.021 29.741 29.700 0.033 0.000 0.744 437 E HN 0.402 nan 8.360 nan 0.000 0.451 438 E N 0.703 120.948 120.200 0.075 0.000 2.153 438 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 438 E C 1.954 178.611 176.600 0.095 0.000 0.988 438 E CA 0.978 57.417 56.400 0.065 0.000 0.811 438 E CB -0.235 29.498 29.700 0.055 0.000 0.746 438 E HN 0.405 nan 8.360 nan 0.000 0.466 439 I N 0.109 120.774 120.570 0.157 0.000 2.500 439 I HA -0.202 3.968 4.170 -0.000 0.000 0.252 439 I C 2.335 178.615 176.117 0.271 0.000 1.142 439 I CA 0.768 62.203 61.300 0.225 0.000 1.451 439 I CB -0.339 37.818 38.000 0.261 0.000 1.093 439 I HN 0.166 nan 8.210 nan 0.000 0.430 440 Q N 0.714 120.642 119.800 0.214 0.000 2.124 440 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 440 Q C 2.366 178.342 176.000 -0.039 0.000 0.977 440 Q CA 1.430 57.207 55.803 -0.043 0.000 0.850 440 Q CB -0.077 28.572 28.738 -0.148 0.000 0.901 440 Q HN 0.487 nan 8.270 nan 0.000 0.429 441 R N 0.001 120.502 120.500 0.003 0.000 2.075 441 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 441 R C 2.296 178.590 176.300 -0.011 0.000 1.126 441 R CA 1.234 57.329 56.100 -0.009 0.000 0.963 441 R CB -0.188 30.108 30.300 -0.006 0.000 0.858 441 R HN 0.283 nan 8.270 nan 0.000 0.435 442 M N 0.228 119.837 119.600 0.015 0.000 2.149 442 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 442 M C 2.468 178.738 176.300 -0.051 0.000 1.064 442 M CA 1.665 56.960 55.300 -0.009 0.000 1.102 442 M CB -0.353 32.279 32.600 0.053 0.000 1.369 442 M HN 0.246 nan 8.290 nan 0.000 0.408 443 A N 0.584 123.416 122.820 0.021 0.000 1.978 443 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 443 A C 2.310 179.836 177.584 -0.097 0.000 1.170 443 A CA 1.862 53.911 52.037 0.020 0.000 0.636 443 A CB -1.522 17.460 19.000 -0.030 0.000 0.810 443 A HN 0.580 nan 8.150 nan 0.000 0.448 444 G N -0.385 108.359 108.800 -0.093 0.000 2.475 444 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 444 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 444 G C 1.307 176.136 174.900 -0.119 0.000 1.125 444 G CA 1.018 46.094 45.100 -0.039 0.000 0.755 444 G HN 0.695 nan 8.290 nan 0.000 0.565 445 E N -0.637 119.389 120.200 -0.289 0.000 2.267 445 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 445 E C 1.312 177.612 176.600 -0.501 0.000 0.998 445 E CA 0.635 56.754 56.400 -0.468 0.000 0.830 445 E CB -0.154 29.112 29.700 -0.724 0.000 0.751 445 E HN 0.702 nan 8.360 nan 0.000 0.491 446 F N -0.481 119.471 119.950 0.002 0.000 2.706 446 F HA 0.250 4.777 4.527 -0.000 0.000 0.313 446 F C 0.439 176.231 175.800 -0.013 0.000 1.096 446 F CA -0.503 57.501 58.000 0.006 0.000 1.219 446 F CB 0.723 39.730 39.000 0.011 0.000 1.051 446 F HN -0.198 nan 8.300 nan 0.000 0.568 447 L N 0.996 122.273 121.223 0.090 0.000 2.334 447 L HA 0.524 4.864 4.340 -0.000 0.000 0.273 447 L C -0.622 176.316 176.870 0.112 0.000 1.013 447 L CA -0.829 54.048 54.840 0.062 0.000 0.816 447 L CB 1.964 43.955 42.059 -0.113 0.000 1.278 447 L HN -0.104 nan 8.230 nan 0.000 0.431 448 K N 1.726 122.190 120.400 0.106 0.000 2.376 448 K HA 0.222 4.542 4.320 -0.000 0.000 0.257 448 K C -0.204 176.454 176.600 0.097 0.000 0.939 448 K CA -0.668 55.664 56.287 0.075 0.000 0.809 448 K CB 1.524 34.026 32.500 0.004 0.000 1.121 448 K HN 0.632 nan 8.250 nan 0.000 0.425 449 N N 2.974 121.712 118.700 0.064 0.000 2.698 449 N HA -0.255 4.485 4.740 -0.000 0.000 0.258 449 N C -0.820 174.710 175.510 0.033 0.000 0.978 449 N CA 0.225 53.277 53.050 0.005 0.000 0.777 449 N CB -0.542 37.942 38.487 -0.005 0.000 0.907 449 N HN 0.536 nan 8.380 nan 0.000 0.543 450 Y N -1.797 118.497 120.300 -0.009 0.000 2.314 450 Y HA 0.559 5.109 4.550 -0.000 0.000 0.334 450 Y C 0.110 176.020 175.900 0.016 0.000 1.266 450 Y CA -0.920 57.181 58.100 0.002 0.000 1.391 450 Y CB 0.698 39.161 38.460 0.005 0.000 1.306 450 Y HN -0.119 nan 8.280 nan 0.000 0.558 451 V N 4.825 124.862 119.914 0.205 0.000 2.481 451 V HA 0.219 4.339 4.120 -0.000 0.000 0.286 451 V C -0.695 175.564 176.094 0.275 0.000 1.042 451 V CA -0.663 61.708 62.300 0.117 0.000 0.928 451 V CB 0.856 32.719 31.823 0.067 0.000 0.986 451 V HN 0.746 nan 8.190 nan 0.000 0.462 452 F N 5.825 125.799 119.950 0.041 0.000 2.444 452 F HA 0.744 5.271 4.527 -0.000 0.000 0.342 452 F C -0.447 175.350 175.800 -0.006 0.000 1.121 452 F CA -0.711 57.329 58.000 0.066 0.000 0.997 452 F CB 1.709 40.735 39.000 0.044 0.000 1.130 452 F HN 0.334 nan 8.300 nan 0.000 0.454 453 V N 5.964 125.391 119.914 -0.812 0.000 2.638 453 V HA 0.914 5.034 4.120 -0.000 0.000 0.306 453 V C -1.581 174.011 176.094 -0.837 0.000 1.052 453 V CA -0.253 61.669 62.300 -0.630 0.000 0.885 453 V CB 1.327 32.975 31.823 -0.291 0.000 0.999 453 V HN 1.188 nan 8.190 nan 0.000 0.424 454 A N 7.672 130.151 122.820 -0.568 0.000 2.335 454 A HA 0.812 5.132 4.320 -0.000 0.000 0.304 454 A C -0.856 176.649 177.584 -0.131 0.000 1.118 454 A CA -0.577 51.269 52.037 -0.319 0.000 0.757 454 A CB 1.032 19.967 19.000 -0.109 0.000 1.188 454 A HN 0.763 nan 8.150 nan 0.000 0.460 455 I N 3.229 123.745 120.570 -0.090 0.000 2.282 455 I HA 0.496 4.665 4.170 -0.000 0.000 0.290 455 I C 1.041 177.151 176.117 -0.011 0.000 1.090 455 I CA 0.840 62.109 61.300 -0.051 0.000 1.231 455 I CB -0.706 37.259 38.000 -0.059 0.000 1.434 455 I HN 1.132 nan 8.210 nan 0.000 0.487 456 G N 6.820 115.621 108.800 0.001 0.000 2.660 456 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 456 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 456 G C -0.243 174.678 174.900 0.035 0.000 1.345 456 G CA -0.926 44.185 45.100 0.019 0.000 0.877 456 G HN 0.451 nan 8.290 nan 0.000 0.549 457 I N 0.869 121.463 120.570 0.040 0.000 2.452 457 I HA 0.189 4.359 4.170 -0.000 0.000 0.287 457 I C 1.227 177.387 176.117 0.072 0.000 1.079 457 I CA -0.416 60.917 61.300 0.056 0.000 1.387 457 I CB 1.021 39.047 38.000 0.043 0.000 1.404 457 I HN 0.380 nan 8.210 nan 0.000 0.522 458 V N 7.243 127.221 119.914 0.108 0.000 2.475 458 V HA 0.064 4.184 4.120 -0.000 0.000 0.292 458 V C 1.267 177.432 176.094 0.119 0.000 1.003 458 V CA 1.398 63.784 62.300 0.143 0.000 1.120 458 V CB -0.022 31.930 31.823 0.215 0.000 0.937 458 V HN 1.197 nan 8.190 nan 0.000 0.476 459 G N 3.801 112.662 108.800 0.101 0.000 2.195 459 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.246 459 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.246 459 G C 0.572 175.496 174.900 0.040 0.000 0.984 459 G CA -0.127 45.017 45.100 0.072 0.000 0.633 459 G HN 1.341 nan 8.290 nan 0.000 0.525 460 G N 0.372 109.195 108.800 0.038 0.000 2.527 460 G HA2 0.670 4.630 3.960 -0.000 0.000 0.248 460 G HA3 0.670 4.630 3.960 -0.000 0.000 0.248 460 G C 0.596 175.501 174.900 0.009 0.000 1.231 460 G CA 0.744 45.861 45.100 0.029 0.000 0.838 460 G HN 1.524 nan 8.290 nan 0.000 0.570 461 A N 0.255 123.086 122.820 0.019 0.000 2.332 461 A HA 0.405 4.725 4.320 -0.000 0.000 0.258 461 A C 0.783 178.361 177.584 -0.010 0.000 1.087 461 A CA -0.267 51.770 52.037 -0.002 0.000 0.802 461 A CB 0.345 19.369 19.000 0.040 0.000 1.042 461 A HN 1.259 nan 8.150 nan 0.000 0.489 462 C N 2.391 121.677 119.300 -0.024 0.000 2.624 462 C HA 0.345 4.805 4.460 -0.000 0.000 0.397 462 C C 1.989 176.961 174.990 -0.029 0.000 1.331 462 C CA 0.164 59.173 59.018 -0.016 0.000 1.716 462 C CB -1.282 26.453 27.740 -0.008 0.000 2.452 462 C HN 1.065 nan 8.230 nan 0.000 0.586 463 S N 2.514 118.189 115.700 -0.043 0.000 2.507 463 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 463 S C 0.943 175.483 174.600 -0.099 0.000 0.988 463 S CA 1.339 59.499 58.200 -0.066 0.000 0.944 463 S CB -0.285 62.867 63.200 -0.081 0.000 0.762 463 S HN 0.873 nan 8.310 nan 0.000 0.526 464 D N 1.162 121.502 120.400 -0.100 0.000 2.363 464 D HA 0.139 4.779 4.640 -0.000 0.000 0.226 464 D C 0.104 176.374 176.300 -0.050 0.000 1.020 464 D CA 0.254 54.187 54.000 -0.111 0.000 0.892 464 D CB 0.494 41.245 40.800 -0.081 0.000 0.900 464 D HN 0.373 nan 8.370 nan 0.000 0.531 465 V N 1.142 121.035 119.914 -0.034 0.000 2.378 465 V HA 0.178 4.298 4.120 -0.000 0.000 0.288 465 V C -0.437 175.653 176.094 -0.007 0.000 1.016 465 V CA -0.823 61.472 62.300 -0.007 0.000 0.840 465 V CB 1.868 33.692 31.823 0.001 0.000 0.994 465 V HN -0.275 nan 8.190 nan 0.000 0.431 466 K N 5.392 125.790 120.400 -0.003 0.000 2.349 466 K HA 0.325 4.645 4.320 -0.000 0.000 0.288 466 K C -0.302 176.308 176.600 0.017 0.000 1.058 466 K CA 0.298 56.583 56.287 -0.003 0.000 0.953 466 K CB 0.757 33.252 32.500 -0.009 0.000 0.997 466 K HN 0.800 nan 8.250 nan 0.000 0.477 467 Q N 1.854 121.669 119.800 0.025 0.000 2.290 467 Q HA 0.311 4.651 4.340 -0.000 0.000 0.259 467 Q C -0.729 175.278 176.000 0.012 0.000 0.941 467 Q CA -0.393 55.443 55.803 0.054 0.000 0.912 467 Q CB 1.653 30.458 28.738 0.112 0.000 1.244 467 Q HN 0.376 nan 8.270 nan 0.000 0.441 468 T N 3.320 117.869 114.554 -0.009 0.000 2.809 468 T HA 0.480 4.830 4.350 -0.000 0.000 0.284 468 T C -0.581 174.026 174.700 -0.155 0.000 0.992 468 T CA -0.586 61.436 62.100 -0.128 0.000 0.957 468 T CB 0.626 69.355 68.868 -0.230 0.000 0.942 468 T HN 0.335 nan 8.240 nan 0.000 0.439 469 I N 4.045 124.547 120.570 -0.114 0.000 2.382 469 I HA 0.361 4.531 4.170 -0.000 0.000 0.285 469 I C -0.434 175.833 176.117 0.251 0.000 1.007 469 I CA -1.052 60.286 61.300 0.062 0.000 1.142 469 I CB 0.400 38.437 38.000 0.061 0.000 1.289 469 I HN 0.668 nan 8.210 nan 0.000 0.453 470 Y N 3.394 123.920 120.300 0.377 0.000 2.376 470 Y HA 0.328 4.878 4.550 -0.000 0.000 0.325 470 Y C 0.853 176.786 175.900 0.054 0.000 1.199 470 Y CA -0.778 57.458 58.100 0.225 0.000 1.206 470 Y CB 1.803 40.331 38.460 0.113 0.000 1.229 470 Y HN 0.496 nan 8.280 nan 0.000 0.480 471 E N 2.104 122.198 120.200 -0.177 0.000 2.200 471 E HA 0.526 4.876 4.350 -0.000 0.000 0.283 471 E C -1.770 174.671 176.600 -0.266 0.000 1.015 471 E CA -0.432 55.673 56.400 -0.492 0.000 0.819 471 E CB 0.954 30.039 29.700 -1.025 0.000 1.081 471 E HN 0.416 nan 8.360 nan 0.000 0.397 472 V N 3.985 123.766 119.914 -0.222 0.000 2.817 472 V HA 0.218 4.338 4.120 -0.000 0.000 0.303 472 V C -0.684 175.236 176.094 -0.290 0.000 1.151 472 V CA -1.153 60.960 62.300 -0.311 0.000 0.929 472 V CB 2.092 33.640 31.823 -0.459 0.000 1.030 472 V HN 0.744 nan 8.190 nan 0.000 0.427 473 N N 1.960 120.458 118.700 -0.337 0.000 2.513 473 N HA 0.323 5.063 4.740 -0.000 0.000 0.274 473 N C 0.968 176.291 175.510 -0.311 0.000 1.189 473 N CA -0.617 52.262 53.050 -0.285 0.000 0.975 473 N CB 1.054 39.391 38.487 -0.250 0.000 1.157 473 N HN 0.717 nan 8.380 nan 0.000 0.465 474 K N 0.617 120.921 120.400 -0.158 0.000 2.077 474 K HA -0.293 4.027 4.320 -0.000 0.000 0.213 474 K C 1.657 178.215 176.600 -0.071 0.000 1.051 474 K CA 1.801 58.036 56.287 -0.086 0.000 0.929 474 K CB -0.246 32.251 32.500 -0.006 0.000 0.715 474 K HN 0.732 nan 8.250 nan 0.000 0.451 475 Y N -1.618 118.653 120.300 -0.049 0.000 2.439 475 Y HA 0.154 4.704 4.550 -0.000 0.000 0.292 475 Y C 1.648 177.529 175.900 -0.032 0.000 1.130 475 Y CA 0.559 58.640 58.100 -0.032 0.000 1.254 475 Y CB -0.503 37.936 38.460 -0.035 0.000 1.000 475 Y HN 0.028 nan 8.280 nan 0.000 0.554 476 A N 1.186 123.503 122.820 -0.838 0.000 2.072 476 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 476 A C 2.117 179.482 177.584 -0.364 0.000 1.156 476 A CA 0.583 52.223 52.037 -0.661 0.000 0.701 476 A CB -0.404 18.112 19.000 -0.806 0.000 0.816 476 A HN 0.472 nan 8.150 nan 0.000 0.458 477 K N 0.080 120.280 120.400 -0.334 0.000 2.074 477 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 477 K C 2.005 178.594 176.600 -0.019 0.000 1.048 477 K CA 1.844 57.921 56.287 -0.350 0.000 0.926 477 K CB -0.218 31.980 32.500 -0.504 0.000 0.713 477 K HN 0.382 nan 8.250 nan 0.000 0.444 478 R N 0.448 121.068 120.500 0.200 0.000 2.193 478 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 478 R C 2.362 178.857 176.300 0.325 0.000 1.110 478 R CA 1.170 57.536 56.100 0.445 0.000 0.988 478 R CB -0.179 30.364 30.300 0.405 0.000 0.871 478 R HN 0.053 nan 8.270 nan 0.000 0.458 479 S N 0.285 116.064 115.700 0.132 0.000 2.348 479 S HA -0.008 4.462 4.470 -0.000 0.000 0.219 479 S C 1.628 176.243 174.600 0.024 0.000 1.033 479 S CA 0.624 58.869 58.200 0.076 0.000 0.974 479 S CB 0.044 63.246 63.200 0.004 0.000 0.868 479 S HN 0.137 nan 8.310 nan 0.000 0.459 480 K N 1.525 121.864 120.400 -0.102 0.000 2.044 480 K HA -0.058 4.262 4.320 -0.000 0.000 0.210 480 K C 2.054 178.735 176.600 0.135 0.000 1.049 480 K CA 1.015 57.214 56.287 -0.147 0.000 0.927 480 K CB -0.937 31.181 32.500 -0.636 0.000 0.713 480 K HN 0.321 nan 8.250 nan 0.000 0.443 481 L N 0.926 122.338 121.223 0.314 0.000 2.079 481 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 481 L C 2.201 179.144 176.870 0.121 0.000 1.081 481 L CA 0.990 56.048 54.840 0.364 0.000 0.752 481 L CB -0.168 42.174 42.059 0.472 0.000 0.896 481 L HN 0.133 nan 8.230 nan 0.000 0.433 482 I N 0.039 120.658 120.570 0.082 0.000 2.252 482 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 482 I C 2.352 178.506 176.117 0.062 0.000 1.102 482 I CA 1.284 62.587 61.300 0.005 0.000 1.385 482 I CB -1.111 36.919 38.000 0.051 0.000 1.064 482 I HN 0.368 nan 8.210 nan 0.000 0.414 483 E N 1.232 121.477 120.200 0.076 0.000 2.007 483 E HA -0.243 4.107 4.350 -0.000 0.000 0.203 483 E C 2.261 178.925 176.600 0.106 0.000 1.020 483 E CA 1.605 58.051 56.400 0.077 0.000 0.845 483 E CB -0.332 29.392 29.700 0.040 0.000 0.779 483 E HN 0.351 nan 8.360 nan 0.000 0.466 484 I N 1.113 121.766 120.570 0.138 0.000 2.147 484 I HA -0.359 3.811 4.170 -0.000 0.000 0.245 484 I C 2.523 178.730 176.117 0.150 0.000 1.059 484 I CA 1.365 62.777 61.300 0.186 0.000 1.320 484 I CB -0.419 37.744 38.000 0.271 0.000 1.021 484 I HN 0.164 nan 8.210 nan 0.000 0.415 485 L N -0.350 120.914 121.223 0.069 0.000 2.217 485 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 485 L C 2.526 179.535 176.870 0.231 0.000 1.107 485 L CA 0.800 55.656 54.840 0.027 0.000 0.783 485 L CB -0.330 41.501 42.059 -0.380 0.000 0.919 485 L HN 0.197 nan 8.230 nan 0.000 0.442 486 S N -0.695 115.154 115.700 0.248 0.000 2.428 486 S HA -0.170 4.300 4.470 -0.000 0.000 0.230 486 S C 1.712 176.412 174.600 0.167 0.000 1.014 486 S CA 0.959 59.322 58.200 0.272 0.000 0.957 486 S CB 0.000 63.322 63.200 0.202 0.000 0.784 486 S HN 0.455 nan 8.310 nan 0.000 0.499 487 E N 1.082 121.367 120.200 0.140 0.000 2.011 487 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 487 E C 0.333 176.997 176.600 0.107 0.000 0.979 487 E CA 0.736 57.200 56.400 0.106 0.000 0.822 487 E CB 0.142 29.903 29.700 0.101 0.000 0.782 487 E HN 0.373 nan 8.360 nan 0.000 0.459 488 Q N -1.081 118.794 119.800 0.124 0.000 2.310 488 Q HA 0.456 4.796 4.340 -0.000 0.000 0.270 488 Q C -0.525 175.567 176.000 0.154 0.000 1.025 488 Q CA -0.215 55.660 55.803 0.120 0.000 0.772 488 Q CB 2.096 30.891 28.738 0.096 0.000 1.253 488 Q HN 0.324 nan 8.270 nan 0.000 0.450 489 A N 2.428 125.337 122.820 0.149 0.000 1.969 489 A HA 0.096 4.416 4.320 -0.000 0.000 0.205 489 A C 0.465 178.122 177.584 0.121 0.000 1.364 489 A CA 0.097 52.226 52.037 0.154 0.000 0.756 489 A CB 0.188 19.335 19.000 0.245 0.000 0.988 489 A HN 0.723 nan 8.150 nan 0.000 0.490 490 D N 0.837 121.288 120.400 0.086 0.000 2.795 490 D HA 0.144 4.784 4.640 -0.000 0.000 0.221 490 D C 1.119 177.442 176.300 0.039 0.000 1.108 490 D CA 2.036 56.054 54.000 0.030 0.000 0.832 490 D CB 0.098 40.901 40.800 0.005 0.000 1.183 490 D HN 0.767 nan 8.370 nan 0.000 0.503 491 G N 2.611 111.379 108.800 -0.053 0.000 2.393 491 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.299 491 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.299 491 G C 0.337 175.400 174.900 0.271 0.000 0.990 491 G CA 0.955 46.056 45.100 0.003 0.000 1.118 491 G HN 0.642 nan 8.290 nan 0.000 0.513 492 T N -0.616 114.133 114.554 0.326 0.000 2.829 492 T HA 0.650 5.000 4.350 -0.000 0.000 0.280 492 T C -0.036 174.713 174.700 0.081 0.000 0.999 492 T CA -0.693 61.521 62.100 0.189 0.000 0.983 492 T CB 1.219 70.136 68.868 0.081 0.000 0.968 492 T HN 0.830 nan 8.240 nan 0.000 0.446 493 I N 5.381 125.865 120.570 -0.142 0.000 2.404 493 I HA 0.682 4.852 4.170 -0.000 0.000 0.293 493 I C -1.195 174.637 176.117 -0.475 0.000 0.992 493 I CA -0.726 60.320 61.300 -0.422 0.000 1.149 493 I CB 1.363 39.012 38.000 -0.586 0.000 1.315 493 I HN 0.404 nan 8.210 nan 0.000 0.446 494 V N 7.798 127.432 119.914 -0.466 0.000 2.417 494 V HA 0.405 4.525 4.120 -0.000 0.000 0.291 494 V C -0.580 175.286 176.094 -0.379 0.000 1.024 494 V CA -0.473 61.616 62.300 -0.352 0.000 0.861 494 V CB 1.187 32.878 31.823 -0.220 0.000 0.985 494 V HN 0.449 nan 8.190 nan 0.000 0.436 495 F N 4.503 124.412 119.950 -0.068 0.000 2.410 495 F HA 0.671 5.198 4.527 -0.000 0.000 0.349 495 F C 0.344 176.155 175.800 0.017 0.000 1.117 495 F CA -0.530 57.452 58.000 -0.029 0.000 1.104 495 F CB 1.843 40.834 39.000 -0.014 0.000 1.122 495 F HN 0.426 nan 8.300 nan 0.000 0.483 496 V N 0.535 120.573 119.914 0.208 0.000 3.046 496 V HA 0.629 4.749 4.120 -0.000 0.000 0.316 496 V C 0.503 176.677 176.094 0.134 0.000 1.104 496 V CA -0.727 61.657 62.300 0.140 0.000 1.006 496 V CB 1.943 33.764 31.823 -0.003 0.000 1.058 496 V HN 0.620 nan 8.190 nan 0.000 0.440 497 E N 1.836 122.104 120.200 0.113 0.000 2.046 497 E HA 0.044 4.394 4.350 -0.000 0.000 0.190 497 E C 0.984 177.610 176.600 0.043 0.000 0.982 497 E CA 1.754 58.200 56.400 0.077 0.000 0.800 497 E CB -0.215 29.529 29.700 0.073 0.000 0.756 497 E HN 1.095 nan 8.360 nan 0.000 0.449 498 T N -2.467 112.099 114.554 0.019 0.000 2.940 498 T HA 0.391 4.741 4.350 -0.000 0.000 0.288 498 T C 0.675 175.331 174.700 -0.073 0.000 1.033 498 T CA -0.752 61.339 62.100 -0.015 0.000 1.033 498 T CB 1.626 70.481 68.868 -0.022 0.000 1.079 498 T HN -0.029 nan 8.240 nan 0.000 0.496 499 K N 0.241 120.581 120.400 -0.100 0.000 2.063 499 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 499 K C 2.444 178.803 176.600 -0.401 0.000 1.048 499 K CA 1.171 57.287 56.287 -0.285 0.000 0.928 499 K CB -0.131 32.314 32.500 -0.092 0.000 0.713 499 K HN 0.566 nan 8.250 nan 0.000 0.442 500 R N 0.665 121.060 120.500 -0.175 0.000 2.075 500 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 500 R C 2.382 178.643 176.300 -0.066 0.000 1.126 500 R CA 1.626 57.661 56.100 -0.108 0.000 0.963 500 R CB -0.466 29.799 30.300 -0.058 0.000 0.858 500 R HN 0.308 nan 8.270 nan 0.000 0.435 501 G N -0.019 108.745 108.800 -0.059 0.000 2.442 501 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 501 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 501 G C 1.483 176.381 174.900 -0.002 0.000 1.141 501 G CA 0.830 45.930 45.100 0.001 0.000 0.763 501 G HN 0.488 nan 8.290 nan 0.000 0.554 502 A N 0.776 123.526 122.820 -0.116 0.000 1.873 502 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 502 A C 2.118 179.648 177.584 -0.091 0.000 1.186 502 A CA 2.008 53.965 52.037 -0.132 0.000 0.616 502 A CB -0.635 18.254 19.000 -0.184 0.000 0.823 502 A HN 0.392 nan 8.150 nan 0.000 0.442 503 D N -1.392 118.913 120.400 -0.159 0.000 2.144 503 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 503 D C 1.747 178.078 176.300 0.051 0.000 0.984 503 D CA 1.495 55.501 54.000 0.010 0.000 0.834 503 D CB -0.124 40.689 40.800 0.022 0.000 0.955 503 D HN 0.380 nan 8.370 nan 0.000 0.465 504 F N 1.276 121.191 119.950 -0.059 0.000 2.060 504 F HA -0.170 4.357 4.527 -0.000 0.000 0.295 504 F C 2.157 177.965 175.800 0.013 0.000 1.120 504 F CA 0.878 58.858 58.000 -0.033 0.000 1.205 504 F CB -0.806 38.152 39.000 -0.070 0.000 0.986 504 F HN -0.055 nan 8.300 nan 0.000 0.470 505 L N 0.891 121.995 121.223 -0.197 0.000 2.127 505 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 505 L C 2.460 179.234 176.870 -0.159 0.000 1.089 505 L CA 1.942 56.644 54.840 -0.231 0.000 0.757 505 L CB -1.485 40.465 42.059 -0.180 0.000 0.899 505 L HN 0.301 nan 8.230 nan 0.000 0.434 506 A N -1.206 121.544 122.820 -0.116 0.000 1.877 506 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 506 A C 2.459 180.007 177.584 -0.061 0.000 1.186 506 A CA 2.072 54.068 52.037 -0.070 0.000 0.620 506 A CB -1.036 17.952 19.000 -0.019 0.000 0.822 506 A HN 0.609 nan 8.150 nan 0.000 0.443 507 S N -1.353 114.303 115.700 -0.072 0.000 2.428 507 S HA -0.102 4.368 4.470 -0.000 0.000 0.230 507 S C 1.762 176.343 174.600 -0.032 0.000 1.014 507 S CA 1.130 59.306 58.200 -0.041 0.000 0.957 507 S CB -0.597 62.589 63.200 -0.024 0.000 0.784 507 S HN 0.491 nan 8.310 nan 0.000 0.499 508 F N 2.996 122.734 119.950 -0.352 0.000 2.102 508 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 508 F C 1.769 177.489 175.800 -0.134 0.000 1.105 508 F CA 0.962 58.751 58.000 -0.351 0.000 1.239 508 F CB -0.730 37.890 39.000 -0.633 0.000 0.991 508 F HN 0.174 nan 8.300 nan 0.000 0.474 509 L N -0.879 120.207 121.223 -0.227 0.000 2.217 509 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 509 L C 2.397 179.284 176.870 0.029 0.000 1.107 509 L CA 1.046 55.759 54.840 -0.212 0.000 0.783 509 L CB -0.861 41.059 42.059 -0.232 0.000 0.919 509 L HN 0.034 nan 8.230 nan 0.000 0.442 510 S N 0.088 115.792 115.700 0.007 0.000 2.453 510 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 510 S C 1.704 176.317 174.600 0.022 0.000 1.005 510 S CA 1.206 59.425 58.200 0.033 0.000 0.949 510 S CB -0.103 63.108 63.200 0.018 0.000 0.774 510 S HN 0.617 nan 8.310 nan 0.000 0.510 511 E N 0.920 121.130 120.200 0.016 0.000 2.442 511 E HA 0.075 4.425 4.350 -0.000 0.000 0.195 511 E C 1.166 177.768 176.600 0.003 0.000 1.030 511 E CA 0.473 56.885 56.400 0.019 0.000 0.869 511 E CB -0.053 29.676 29.700 0.048 0.000 0.857 511 E HN 0.229 nan 8.360 nan 0.000 0.505 512 K N 0.835 121.237 120.400 0.003 0.000 2.410 512 K HA 0.083 4.403 4.320 -0.000 0.000 0.200 512 K C -0.335 176.179 176.600 -0.143 0.000 1.023 512 K CA 0.191 56.468 56.287 -0.017 0.000 1.149 512 K CB 0.275 32.822 32.500 0.078 0.000 0.859 512 K HN 0.138 nan 8.250 nan 0.000 0.514 513 E N -0.526 119.619 120.200 -0.090 0.000 3.286 513 E HA -0.208 4.142 4.350 -0.000 0.000 0.292 513 E C -0.864 175.624 176.600 -0.186 0.000 0.928 513 E CA 0.475 56.789 56.400 -0.144 0.000 0.982 513 E CB -1.587 28.003 29.700 -0.184 0.000 1.500 513 E HN 0.223 nan 8.360 nan 0.000 0.441 514 F N 1.063 120.974 119.950 -0.065 0.000 2.445 514 F HA 0.232 4.759 4.527 -0.000 0.000 0.359 514 F C -1.766 174.011 175.800 -0.038 0.000 1.101 514 F CA -2.276 55.694 58.000 -0.051 0.000 1.177 514 F CB 0.431 39.391 39.000 -0.066 0.000 1.110 514 F HN -0.257 nan 8.300 nan 0.000 0.522 515 P HA 0.056 nan 4.420 nan 0.000 0.263 515 P C -0.712 176.649 177.300 0.101 0.000 1.247 515 P CA 0.425 63.573 63.100 0.080 0.000 0.876 515 P CB 0.318 32.046 31.700 0.046 0.000 0.928 516 T N 1.829 116.431 114.554 0.081 0.000 2.893 516 T HA 0.621 4.971 4.350 -0.000 0.000 0.291 516 T C -0.277 174.451 174.700 0.048 0.000 1.028 516 T CA -0.407 61.732 62.100 0.065 0.000 0.995 516 T CB 2.075 70.961 68.868 0.031 0.000 1.051 516 T HN 0.144 nan 8.240 nan 0.000 0.470 517 T N 0.663 115.245 114.554 0.046 0.000 2.696 517 T HA 0.836 5.186 4.350 -0.000 0.000 0.291 517 T C -1.471 173.229 174.700 0.000 0.000 1.095 517 T CA -0.459 61.658 62.100 0.029 0.000 1.026 517 T CB 1.354 70.251 68.868 0.048 0.000 1.390 517 T HN 0.873 nan 8.240 nan 0.000 0.513 518 S N 0.420 116.117 115.700 -0.006 0.000 2.570 518 S HA 0.773 5.243 4.470 -0.000 0.000 0.270 518 S C -1.528 173.054 174.600 -0.030 0.000 1.149 518 S CA -0.845 57.354 58.200 -0.001 0.000 0.837 518 S CB 1.360 64.612 63.200 0.087 0.000 1.124 518 S HN 0.921 nan 8.310 nan 0.000 0.465 519 I N 2.540 123.103 120.570 -0.012 0.000 2.571 519 I HA 0.648 4.818 4.170 -0.000 0.000 0.289 519 I C -1.350 174.786 176.117 0.032 0.000 1.115 519 I CA -0.185 61.077 61.300 -0.065 0.000 1.045 519 I CB 1.421 39.381 38.000 -0.067 0.000 1.238 519 I HN 1.080 nan 8.210 nan 0.000 0.424 520 H N 3.359 122.430 119.070 0.000 0.000 2.950 520 H HA 0.250 4.806 4.556 -0.000 0.000 0.307 520 H C 0.106 175.446 175.328 0.021 0.000 1.403 520 H CA -0.361 55.698 56.048 0.018 0.000 1.145 520 H CB 1.019 30.791 29.762 0.018 0.000 1.844 520 H HN 0.553 nan 8.280 nan 0.000 0.515 521 G N 0.013 108.906 108.800 0.154 0.000 2.485 521 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.221 521 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.221 521 G C 0.518 175.468 174.900 0.083 0.000 1.115 521 G CA 1.117 46.275 45.100 0.096 0.000 0.751 521 G HN 0.618 nan 8.290 nan 0.000 0.567 522 D N -0.013 120.521 120.400 0.225 0.000 2.349 522 D HA 0.082 4.722 4.640 -0.000 0.000 0.224 522 D C 1.266 177.566 176.300 -0.000 0.000 1.029 522 D CA 0.140 54.231 54.000 0.151 0.000 0.879 522 D CB 0.233 41.188 40.800 0.259 0.000 0.906 522 D HN 0.302 nan 8.370 nan 0.000 0.528 523 R N 0.365 120.729 120.500 -0.225 0.000 2.532 523 R HA 0.304 4.644 4.340 -0.000 0.000 0.272 523 R C 0.134 176.356 176.300 -0.130 0.000 1.032 523 R CA -0.978 54.989 56.100 -0.221 0.000 1.089 523 R CB 1.427 31.499 30.300 -0.379 0.000 1.098 523 R HN -0.079 nan 8.270 nan 0.000 0.526 524 L N 2.402 123.557 121.223 -0.114 0.000 2.461 524 L HA -0.039 4.301 4.340 -0.000 0.000 0.272 524 L C 1.637 178.416 176.870 -0.152 0.000 1.197 524 L CA 0.545 55.316 54.840 -0.116 0.000 0.836 524 L CB 0.701 42.677 42.059 -0.137 0.000 1.105 524 L HN 0.684 nan 8.230 nan 0.000 0.477 525 Q N 2.251 121.972 119.800 -0.131 0.000 2.152 525 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 525 Q C 2.054 177.887 176.000 -0.279 0.000 0.985 525 Q CA 2.254 58.001 55.803 -0.092 0.000 0.863 525 Q CB -0.011 28.774 28.738 0.080 0.000 0.904 525 Q HN 0.825 nan 8.270 nan 0.000 0.422 526 S N -0.769 114.506 115.700 -0.707 0.000 2.399 526 S HA -0.207 4.263 4.470 -0.000 0.000 0.231 526 S C 1.813 176.222 174.600 -0.318 0.000 1.022 526 S CA 1.244 58.916 58.200 -0.880 0.000 0.983 526 S CB -0.339 62.225 63.200 -1.060 0.000 0.803 526 S HN 0.543 nan 8.310 nan 0.000 0.480 527 Q N 0.719 120.379 119.800 -0.234 0.000 2.137 527 Q HA 0.110 4.450 4.340 -0.000 0.000 0.198 527 Q C 2.509 178.446 176.000 -0.105 0.000 0.960 527 Q CA 0.800 56.520 55.803 -0.138 0.000 0.847 527 Q CB -0.124 28.538 28.738 -0.128 0.000 0.915 527 Q HN 0.581 nan 8.270 nan 0.000 0.448 528 R N 0.924 121.358 120.500 -0.109 0.000 2.081 528 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 528 R C 1.996 178.278 176.300 -0.031 0.000 1.131 528 R CA 1.356 57.410 56.100 -0.075 0.000 0.960 528 R CB -0.041 30.226 30.300 -0.055 0.000 0.856 528 R HN 0.295 nan 8.270 nan 0.000 0.436 529 E N 0.064 120.259 120.200 -0.008 0.000 2.150 529 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 529 E C 1.984 178.604 176.600 0.033 0.000 0.985 529 E CA 0.850 57.273 56.400 0.039 0.000 0.814 529 E CB 0.095 29.868 29.700 0.122 0.000 0.752 529 E HN 0.130 nan 8.360 nan 0.000 0.466 530 Q N 0.628 120.432 119.800 0.006 0.000 2.172 530 Q HA -0.031 4.309 4.340 -0.000 0.000 0.200 530 Q C 1.828 177.842 176.000 0.024 0.000 0.964 530 Q CA 1.443 57.255 55.803 0.015 0.000 0.855 530 Q CB -0.179 28.555 28.738 -0.007 0.000 0.918 530 Q HN 0.231 nan 8.270 nan 0.000 0.444 531 A N -0.098 122.727 122.820 0.008 0.000 1.969 531 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 531 A C 1.964 179.585 177.584 0.061 0.000 1.169 531 A CA 1.194 53.244 52.037 0.021 0.000 0.635 531 A CB -0.494 18.494 19.000 -0.021 0.000 0.810 531 A HN 0.440 nan 8.150 nan 0.000 0.445 532 L N -1.602 119.649 121.223 0.048 0.000 2.162 532 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 532 L C 2.703 179.646 176.870 0.121 0.000 1.086 532 L CA 1.189 56.080 54.840 0.084 0.000 0.778 532 L CB -0.447 41.638 42.059 0.042 0.000 0.928 532 L HN 0.444 nan 8.230 nan 0.000 0.446 533 R N 0.481 121.029 120.500 0.080 0.000 2.105 533 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 533 R C 1.675 178.017 176.300 0.069 0.000 1.135 533 R CA 1.901 58.041 56.100 0.068 0.000 0.967 533 R CB -0.045 30.287 30.300 0.054 0.000 0.861 533 R HN 0.318 nan 8.270 nan 0.000 0.442 534 D N -0.543 119.904 120.400 0.079 0.000 2.194 534 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 534 D C 1.430 177.782 176.300 0.086 0.000 0.964 534 D CA 0.824 54.864 54.000 0.067 0.000 0.846 534 D CB -0.163 40.675 40.800 0.063 0.000 0.962 534 D HN 0.231 nan 8.370 nan 0.000 0.490 535 F N 1.586 121.532 119.950 -0.008 0.000 2.367 535 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 535 F C 2.004 177.802 175.800 -0.004 0.000 1.094 535 F CA 0.940 58.934 58.000 -0.010 0.000 1.409 535 F CB 0.309 39.298 39.000 -0.019 0.000 1.064 535 F HN -0.225 nan 8.300 nan 0.000 0.528 536 K N 0.125 120.597 120.400 0.119 0.000 2.076 536 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 536 K C 1.305 177.886 176.600 -0.031 0.000 1.051 536 K CA 1.193 57.509 56.287 0.048 0.000 0.949 536 K CB -0.293 32.256 32.500 0.081 0.000 0.726 536 K HN 0.298 nan 8.250 nan 0.000 0.443 537 N N -0.157 118.529 118.700 -0.022 0.000 2.434 537 N HA 0.000 4.740 4.740 -0.000 0.000 0.196 537 N C 0.917 176.387 175.510 -0.067 0.000 1.183 537 N CA 0.933 53.962 53.050 -0.034 0.000 0.849 537 N CB 0.457 38.937 38.487 -0.013 0.000 0.992 537 N HN 0.251 nan 8.380 nan 0.000 0.460 538 G N -0.679 108.045 108.800 -0.126 0.000 2.267 538 G HA2 -0.415 3.544 3.960 -0.000 0.000 0.257 538 G HA3 -0.415 3.544 3.960 -0.000 0.000 0.257 538 G C 1.138 175.969 174.900 -0.115 0.000 0.998 538 G CA 0.666 45.673 45.100 -0.154 0.000 0.620 538 G HN 0.519 nan 8.290 nan 0.000 0.529 539 S N -0.655 115.004 115.700 -0.068 0.000 2.400 539 S HA -0.031 4.439 4.470 -0.000 0.000 0.234 539 S C 1.324 175.908 174.600 -0.027 0.000 1.049 539 S CA 1.969 60.148 58.200 -0.035 0.000 1.039 539 S CB -0.291 62.903 63.200 -0.010 0.000 0.856 539 S HN 0.473 nan 8.310 nan 0.000 0.465 540 M N -0.065 119.514 119.600 -0.035 0.000 2.598 540 M HA 0.408 4.888 4.480 -0.000 0.000 0.317 540 M C 0.503 176.761 176.300 -0.070 0.000 1.179 540 M CA -0.332 54.975 55.300 0.012 0.000 0.936 540 M CB 1.980 34.649 32.600 0.115 0.000 1.713 540 M HN -0.018 nan 8.290 nan 0.000 0.460 541 K N 0.353 120.759 120.400 0.011 0.000 2.387 541 K HA 0.308 4.628 4.320 -0.000 0.000 0.197 541 K C -0.188 176.512 176.600 0.167 0.000 1.127 541 K CA 0.404 56.679 56.287 -0.020 0.000 0.950 541 K CB 0.967 33.486 32.500 0.032 0.000 1.017 541 K HN 0.404 nan 8.250 nan 0.000 0.519 542 V N 2.649 122.697 119.914 0.223 0.000 2.555 542 V HA 0.354 4.474 4.120 -0.000 0.000 0.302 542 V C -0.736 175.461 176.094 0.171 0.000 1.038 542 V CA -0.840 61.583 62.300 0.205 0.000 0.887 542 V CB 2.265 34.113 31.823 0.042 0.000 0.991 542 V HN 0.142 nan 8.190 nan 0.000 0.434 543 L N 5.538 126.755 121.223 -0.010 0.000 2.349 543 L HA 0.581 4.921 4.340 -0.000 0.000 0.278 543 L C -1.196 175.507 176.870 -0.279 0.000 0.996 543 L CA -0.569 54.121 54.840 -0.249 0.000 0.825 543 L CB 1.582 43.165 42.059 -0.793 0.000 1.243 543 L HN 0.477 nan 8.230 nan 0.000 0.412 544 I N 4.286 124.744 120.570 -0.187 0.000 2.331 544 I HA 0.568 4.738 4.170 -0.000 0.000 0.292 544 I C 0.354 176.384 176.117 -0.145 0.000 0.998 544 I CA -0.279 60.916 61.300 -0.176 0.000 1.267 544 I CB 1.178 39.113 38.000 -0.108 0.000 1.386 544 I HN 0.625 nan 8.210 nan 0.000 0.476 545 A N 4.781 127.492 122.820 -0.180 0.000 2.539 545 A HA 0.788 5.108 4.320 -0.000 0.000 0.296 545 A C 0.035 177.705 177.584 0.144 0.000 1.073 545 A CA -0.508 51.499 52.037 -0.049 0.000 0.700 545 A CB 1.523 20.426 19.000 -0.162 0.000 1.296 545 A HN 0.717 nan 8.150 nan 0.000 0.405 546 T N -1.117 113.551 114.554 0.190 0.000 2.810 546 T HA 0.395 4.745 4.350 -0.000 0.000 0.277 546 T C 1.080 175.939 174.700 0.266 0.000 0.973 546 T CA 0.323 62.541 62.100 0.198 0.000 0.949 546 T CB 0.726 69.679 68.868 0.141 0.000 1.075 546 T HN 0.483 nan 8.240 nan 0.000 0.537 547 S N -0.165 115.618 115.700 0.137 0.000 2.584 547 S HA -0.054 4.416 4.470 -0.000 0.000 0.240 547 S C 1.901 176.544 174.600 0.071 0.000 0.975 547 S CA 0.352 58.570 58.200 0.030 0.000 0.949 547 S CB -0.741 62.428 63.200 -0.051 0.000 0.761 547 S HN 0.568 nan 8.310 nan 0.000 0.536 548 V N 1.435 121.419 119.914 0.116 0.000 2.568 548 V HA -0.117 4.003 4.120 -0.000 0.000 0.253 548 V C 1.689 177.845 176.094 0.102 0.000 1.072 548 V CA 1.857 64.215 62.300 0.097 0.000 1.084 548 V CB -0.416 31.465 31.823 0.097 0.000 0.676 548 V HN 0.531 nan 8.190 nan 0.000 0.469 549 A N -0.798 122.129 122.820 0.178 0.000 2.545 549 A HA 0.313 4.633 4.320 -0.000 0.000 0.277 549 A C 1.997 179.754 177.584 0.288 0.000 1.301 549 A CA 0.653 52.807 52.037 0.195 0.000 0.935 549 A CB -0.194 18.892 19.000 0.143 0.000 1.093 549 A HN 0.726 nan 8.150 nan 0.000 0.519 550 S N -0.485 115.289 115.700 0.122 0.000 2.470 550 S HA 0.142 4.612 4.470 -0.000 0.000 0.225 550 S C 0.908 175.512 174.600 0.006 0.000 1.006 550 S CA 0.031 58.182 58.200 -0.082 0.000 0.934 550 S CB 0.029 63.022 63.200 -0.346 0.000 0.778 550 S HN 0.522 nan 8.310 nan 0.000 0.517 551 R N 0.161 120.660 120.500 -0.002 0.000 2.532 551 R HA 0.546 4.886 4.340 -0.000 0.000 0.295 551 R C 1.265 177.600 176.300 0.058 0.000 0.968 551 R CA 0.074 56.171 56.100 -0.004 0.000 0.916 551 R CB 1.105 31.304 30.300 -0.169 0.000 1.124 551 R HN 0.277 nan 8.270 nan 0.000 0.463 552 G N 2.257 111.123 108.800 0.110 0.000 2.317 552 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.265 552 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.265 552 G C 0.386 175.333 174.900 0.077 0.000 0.983 552 G CA 0.488 45.646 45.100 0.097 0.000 0.641 552 G HN 0.449 nan 8.290 nan 0.000 0.556 553 L N 0.723 121.990 121.223 0.072 0.000 2.540 553 L HA 0.264 4.604 4.340 -0.000 0.000 0.276 553 L C 0.228 177.139 176.870 0.070 0.000 1.212 553 L CA 0.254 55.130 54.840 0.060 0.000 0.893 553 L CB 0.564 42.656 42.059 0.054 0.000 1.138 553 L HN 0.195 nan 8.230 nan 0.000 0.491 554 D N 4.699 125.136 120.400 0.061 0.000 2.464 554 D HA 0.457 5.097 4.640 -0.000 0.000 0.243 554 D C -0.707 175.637 176.300 0.073 0.000 1.104 554 D CA -0.221 53.820 54.000 0.068 0.000 0.883 554 D CB 0.501 41.337 40.800 0.059 0.000 1.050 554 D HN 0.238 nan 8.370 nan 0.000 0.524 555 I N 3.914 124.539 120.570 0.092 0.000 2.410 555 I HA 0.223 4.393 4.170 -0.000 0.000 0.286 555 I C 1.372 177.563 176.117 0.123 0.000 1.009 555 I CA -0.804 60.566 61.300 0.118 0.000 1.111 555 I CB 2.030 40.129 38.000 0.163 0.000 1.262 555 I HN 0.242 nan 8.210 nan 0.000 0.443 556 K N 3.564 124.021 120.400 0.095 0.000 2.063 556 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 556 K C 1.479 178.124 176.600 0.074 0.000 1.048 556 K CA 1.603 57.935 56.287 0.074 0.000 0.928 556 K CB 0.145 32.674 32.500 0.047 0.000 0.713 556 K HN 0.539 nan 8.250 nan 0.000 0.442 557 N N 0.684 119.428 118.700 0.073 0.000 2.520 557 N HA -0.061 4.679 4.740 -0.000 0.000 0.185 557 N C 0.001 175.585 175.510 0.123 0.000 1.068 557 N CA 0.636 53.695 53.050 0.015 0.000 0.911 557 N CB -0.064 38.313 38.487 -0.183 0.000 0.961 557 N HN 0.218 nan 8.380 nan 0.000 0.446 558 I N 1.597 122.318 120.570 0.252 0.000 2.483 558 I HA -0.029 4.141 4.170 -0.000 0.000 0.291 558 I C 1.146 177.365 176.117 0.170 0.000 1.112 558 I CA 0.301 61.765 61.300 0.273 0.000 1.350 558 I CB 0.446 38.569 38.000 0.205 0.000 1.419 558 I HN -0.048 nan 8.210 nan 0.000 0.523 559 K N 4.060 124.561 120.400 0.169 0.000 2.365 559 K HA 0.152 4.472 4.320 -0.000 0.000 0.195 559 K C 0.487 177.197 176.600 0.182 0.000 1.079 559 K CA 0.249 56.616 56.287 0.134 0.000 0.979 559 K CB 0.530 33.088 32.500 0.097 0.000 0.929 559 K HN 0.567 nan 8.250 nan 0.000 0.523 560 H N 0.339 119.455 119.070 0.077 0.000 2.667 560 H HA 0.337 4.893 4.556 -0.000 0.000 0.353 560 H C -1.629 173.724 175.328 0.041 0.000 1.072 560 H CA -0.816 55.267 56.048 0.058 0.000 1.214 560 H CB 1.786 31.583 29.762 0.058 0.000 1.600 560 H HN -0.238 nan 8.280 nan 0.000 0.527 561 V N 7.343 127.348 119.914 0.151 0.000 2.384 561 V HA 0.288 4.408 4.120 -0.000 0.000 0.287 561 V C -0.082 175.935 176.094 -0.129 0.000 1.020 561 V CA -0.471 61.826 62.300 -0.005 0.000 0.850 561 V CB 1.336 33.227 31.823 0.113 0.000 0.987 561 V HN 0.588 nan 8.190 nan 0.000 0.436 562 I N 4.910 125.347 120.570 -0.223 0.000 2.382 562 I HA 0.386 4.556 4.170 -0.000 0.000 0.285 562 I C 0.051 176.120 176.117 -0.080 0.000 1.007 562 I CA -0.406 60.746 61.300 -0.246 0.000 1.142 562 I CB 1.455 39.218 38.000 -0.394 0.000 1.289 562 I HN 0.487 nan 8.210 nan 0.000 0.453 563 N N 6.010 124.695 118.700 -0.025 0.000 2.807 563 N HA 0.001 4.741 4.740 -0.000 0.000 0.259 563 N C 0.767 176.237 175.510 -0.066 0.000 1.149 563 N CA 0.018 53.123 53.050 0.092 0.000 1.042 563 N CB 0.363 38.963 38.487 0.188 0.000 1.367 563 N HN 0.585 nan 8.380 nan 0.000 0.516 564 Y N 1.285 121.457 120.300 -0.214 0.000 2.256 564 Y HA -0.175 4.375 4.550 -0.000 0.000 0.288 564 Y C -0.210 175.730 175.900 0.066 0.000 1.155 564 Y CA 1.350 59.319 58.100 -0.219 0.000 1.203 564 Y CB 0.432 38.857 38.460 -0.059 0.000 0.980 564 Y HN 0.264 nan 8.280 nan 0.000 0.530 565 D N 0.116 120.681 120.400 0.275 0.000 2.757 565 D HA 0.191 4.831 4.640 -0.000 0.000 0.249 565 D C -0.563 175.836 176.300 0.166 0.000 1.168 565 D CA -0.409 53.718 54.000 0.212 0.000 0.870 565 D CB 1.476 42.415 40.800 0.233 0.000 1.411 565 D HN -0.026 nan 8.370 nan 0.000 0.525 566 M N 2.806 122.490 119.600 0.139 0.000 2.239 566 M HA 0.207 4.687 4.480 -0.000 0.000 0.348 566 M C -2.018 174.350 176.300 0.112 0.000 1.239 566 M CA -1.457 53.933 55.300 0.150 0.000 1.114 566 M CB 0.040 32.727 32.600 0.145 0.000 1.641 566 M HN 0.090 nan 8.290 nan 0.000 0.453 567 P HA 0.172 nan 4.420 nan 0.000 0.274 567 P C 0.221 177.562 177.300 0.070 0.000 1.246 567 P CA -0.198 62.948 63.100 0.076 0.000 0.795 567 P CB 0.303 32.041 31.700 0.063 0.000 1.006 568 S N 0.064 115.794 115.700 0.049 0.000 2.423 568 S HA -0.036 4.434 4.470 -0.000 0.000 0.231 568 S C 0.676 175.306 174.600 0.050 0.000 1.014 568 S CA 0.827 59.053 58.200 0.043 0.000 0.965 568 S CB -0.375 62.843 63.200 0.029 0.000 0.785 568 S HN 0.435 nan 8.310 nan 0.000 0.495 569 K N -0.237 120.198 120.400 0.058 0.000 2.318 569 K HA 0.485 4.805 4.320 -0.000 0.000 0.249 569 K C 0.272 176.928 176.600 0.094 0.000 0.942 569 K CA -0.655 55.671 56.287 0.066 0.000 0.808 569 K CB 1.704 34.238 32.500 0.057 0.000 1.189 569 K HN -0.074 nan 8.250 nan 0.000 0.428 570 I N 2.040 122.666 120.570 0.092 0.000 2.286 570 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 570 I C 1.189 177.406 176.117 0.167 0.000 1.115 570 I CA 1.841 63.214 61.300 0.122 0.000 1.392 570 I CB -0.038 38.008 38.000 0.078 0.000 1.065 570 I HN 0.659 nan 8.210 nan 0.000 0.418 571 D N 0.240 120.720 120.400 0.134 0.000 2.149 571 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 571 D C 1.767 178.191 176.300 0.207 0.000 0.990 571 D CA 1.611 55.706 54.000 0.158 0.000 0.839 571 D CB -0.346 40.549 40.800 0.159 0.000 0.948 571 D HN 0.439 nan 8.370 nan 0.000 0.460 572 D N -0.746 119.743 120.400 0.148 0.000 2.219 572 D HA -0.168 4.472 4.640 -0.000 0.000 0.205 572 D C 1.880 178.208 176.300 0.046 0.000 0.970 572 D CA 0.444 54.496 54.000 0.085 0.000 0.851 572 D CB -0.111 40.699 40.800 0.016 0.000 0.943 572 D HN 0.218 nan 8.370 nan 0.000 0.488 573 Y N 0.391 120.688 120.300 -0.005 0.000 2.145 573 Y HA -0.164 4.386 4.550 -0.000 0.000 0.286 573 Y C 2.064 177.951 175.900 -0.021 0.000 1.145 573 Y CA 1.295 59.384 58.100 -0.019 0.000 1.148 573 Y CB -0.480 37.988 38.460 0.013 0.000 0.981 573 Y HN -0.132 nan 8.280 nan 0.000 0.507 574 V N 0.537 120.414 119.914 -0.061 0.000 2.392 574 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 574 V C 2.398 178.341 176.094 -0.253 0.000 1.059 574 V CA 2.356 64.549 62.300 -0.180 0.000 1.051 574 V CB -0.794 30.974 31.823 -0.092 0.000 0.658 574 V HN 0.543 nan 8.190 nan 0.000 0.455 575 H N -0.078 118.920 119.070 -0.121 0.000 2.363 575 H HA -0.008 4.548 4.556 -0.000 0.000 0.301 575 H C 2.602 177.838 175.328 -0.154 0.000 1.074 575 H CA 1.487 57.471 56.048 -0.106 0.000 1.354 575 H CB 0.073 29.782 29.762 -0.088 0.000 1.397 575 H HN 0.382 nan 8.280 nan 0.000 0.516 576 R N 0.688 121.086 120.500 -0.170 0.000 2.070 576 R HA -0.102 4.238 4.340 -0.000 0.000 0.233 576 R C 2.626 178.886 176.300 -0.068 0.000 1.137 576 R CA 1.694 57.611 56.100 -0.304 0.000 0.945 576 R CB -0.356 29.556 30.300 -0.646 0.000 0.845 576 R HN 0.369 nan 8.270 nan 0.000 0.430 577 I N -2.260 118.169 120.570 -0.234 0.000 2.614 577 I HA 0.009 4.179 4.170 -0.000 0.000 0.258 577 I C 1.843 177.924 176.117 -0.060 0.000 1.189 577 I CA 1.630 62.831 61.300 -0.164 0.000 1.462 577 I CB -0.545 37.241 38.000 -0.357 0.000 1.092 577 I HN 0.047 nan 8.210 nan 0.000 0.442 578 G N 1.045 109.806 108.800 -0.065 0.000 2.776 578 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.209 578 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.209 578 G C 1.481 176.413 174.900 0.053 0.000 1.145 578 G CA -0.138 44.955 45.100 -0.012 0.000 0.791 578 G HN 0.185 nan 8.290 nan 0.000 0.530 579 R N -0.154 120.401 120.500 0.091 0.000 2.280 579 R HA 0.075 4.415 4.340 -0.000 0.000 0.207 579 R C 1.149 177.510 176.300 0.102 0.000 1.043 579 R CA 0.260 56.432 56.100 0.120 0.000 1.006 579 R CB -0.734 29.670 30.300 0.175 0.000 0.885 579 R HN 0.361 nan 8.270 nan 0.000 0.467 580 T N -2.565 112.042 114.554 0.089 0.000 2.883 580 T HA 0.485 4.835 4.350 -0.000 0.000 0.284 580 T C 0.004 174.747 174.700 0.071 0.000 1.041 580 T CA 0.021 62.174 62.100 0.089 0.000 1.007 580 T CB 1.322 70.251 68.868 0.101 0.000 1.220 580 T HN 0.327 nan 8.240 nan 0.000 0.552 581 G N 2.462 111.304 108.800 0.071 0.000 2.338 581 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.296 581 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.296 581 G C -0.043 174.898 174.900 0.069 0.000 1.040 581 G CA 0.408 45.544 45.100 0.060 0.000 1.004 581 G HN 0.778 nan 8.290 nan 0.000 0.509 582 R N -0.798 119.756 120.500 0.089 0.000 2.536 582 R HA 0.582 4.922 4.340 -0.000 0.000 0.279 582 R C 1.169 177.556 176.300 0.146 0.000 1.001 582 R CA -0.413 55.755 56.100 0.112 0.000 1.027 582 R CB 1.530 31.894 30.300 0.108 0.000 1.096 582 R HN 0.719 nan 8.270 nan 0.000 0.502 583 V N 0.158 120.198 119.914 0.211 0.000 5.117 583 V HA -0.258 3.862 4.120 -0.000 0.000 0.285 583 V C 1.033 177.309 176.094 0.303 0.000 0.490 583 V CA 1.350 63.845 62.300 0.326 0.000 0.728 583 V CB -2.309 29.672 31.823 0.264 0.000 0.597 583 V HN 1.326 nan 8.190 nan 0.000 1.265 584 G N -1.230 107.633 108.800 0.105 0.000 2.176 584 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 584 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 584 G C 0.062 175.036 174.900 0.123 0.000 0.979 584 G CA 0.309 45.421 45.100 0.020 0.000 0.641 584 G HN 0.752 nan 8.290 nan 0.000 0.530 585 N N 0.918 119.690 118.700 0.120 0.000 2.513 585 N HA 0.240 4.980 4.740 -0.000 0.000 0.274 585 N C 0.072 175.654 175.510 0.118 0.000 1.189 585 N CA -0.350 52.768 53.050 0.114 0.000 0.975 585 N CB 0.417 38.959 38.487 0.091 0.000 1.157 585 N HN 0.270 nan 8.380 nan 0.000 0.465 586 N N -0.291 118.484 118.700 0.126 0.000 2.445 586 N HA 0.474 5.214 4.740 -0.000 0.000 0.264 586 N C 0.221 175.768 175.510 0.062 0.000 1.227 586 N CA 0.031 53.137 53.050 0.094 0.000 0.963 586 N CB 1.312 39.859 38.487 0.101 0.000 1.188 586 N HN 0.605 nan 8.380 nan 0.000 0.491 587 G N -0.546 108.280 108.800 0.044 0.000 2.623 587 G HA2 0.567 4.527 3.960 -0.000 0.000 0.290 587 G HA3 0.567 4.527 3.960 -0.000 0.000 0.290 587 G C -1.551 173.371 174.900 0.036 0.000 1.437 587 G CA -0.775 44.355 45.100 0.049 0.000 0.798 587 G HN 0.600 nan 8.290 nan 0.000 0.488 588 R N -0.874 119.655 120.500 0.050 0.000 2.744 588 R HA 0.861 5.201 4.340 -0.000 0.000 0.279 588 R C -0.906 175.504 176.300 0.184 0.000 0.977 588 R CA -0.971 55.154 56.100 0.043 0.000 0.906 588 R CB 2.338 32.583 30.300 -0.092 0.000 1.197 588 R HN 1.000 nan 8.270 nan 0.000 0.463 589 A N 1.472 124.389 122.820 0.161 0.000 2.374 589 A HA 0.606 4.926 4.320 -0.000 0.000 0.305 589 A C -0.945 176.756 177.584 0.195 0.000 1.053 589 A CA -0.763 51.389 52.037 0.192 0.000 0.726 589 A CB 2.059 21.109 19.000 0.083 0.000 1.229 589 A HN 0.677 nan 8.150 nan 0.000 0.431 590 T N 2.097 116.776 114.554 0.208 0.000 2.786 590 T HA 0.578 4.928 4.350 -0.000 0.000 0.283 590 T C -0.195 174.544 174.700 0.064 0.000 0.992 590 T CA -0.254 61.938 62.100 0.154 0.000 0.954 590 T CB 1.149 70.187 68.868 0.284 0.000 0.934 590 T HN 0.518 nan 8.240 nan 0.000 0.440 591 S N 2.461 118.245 115.700 0.141 0.000 2.482 591 S HA 0.570 5.040 4.470 -0.000 0.000 0.303 591 S C -0.651 174.193 174.600 0.407 0.000 1.091 591 S CA -0.762 57.557 58.200 0.198 0.000 1.057 591 S CB 0.794 64.178 63.200 0.307 0.000 1.031 591 S HN 0.621 nan 8.310 nan 0.000 0.485 592 F N 2.884 122.936 119.950 0.171 0.000 2.350 592 F HA 0.339 4.866 4.527 -0.000 0.000 0.365 592 F C -0.131 175.756 175.800 0.145 0.000 1.122 592 F CA -0.939 57.136 58.000 0.124 0.000 1.139 592 F CB 0.480 39.454 39.000 -0.043 0.000 1.220 592 F HN 0.499 nan 8.300 nan 0.000 0.499 593 F N 4.543 124.627 119.950 0.223 0.000 2.424 593 F HA 0.165 4.692 4.527 -0.000 0.000 0.356 593 F C 0.177 175.994 175.800 0.028 0.000 1.110 593 F CA -0.690 57.393 58.000 0.137 0.000 1.161 593 F CB 0.495 39.637 39.000 0.236 0.000 1.115 593 F HN 0.303 nan 8.300 nan 0.000 0.507 594 D N 8.921 128.962 120.400 -0.599 0.000 2.428 594 D HA 0.232 4.872 4.640 -0.000 0.000 0.221 594 D C -1.988 173.912 176.300 -0.668 0.000 1.123 594 D CA -2.068 51.650 54.000 -0.471 0.000 0.869 594 D CB 1.776 42.407 40.800 -0.282 0.000 1.032 594 D HN 0.295 nan 8.370 nan 0.000 0.506 595 P HA -0.162 nan 4.420 nan 0.000 0.217 595 P C 0.675 177.882 177.300 -0.156 0.000 1.148 595 P CA 1.295 64.273 63.100 -0.203 0.000 0.834 595 P CB 0.448 32.129 31.700 -0.031 0.000 0.783 596 E N -0.653 119.454 120.200 -0.155 0.000 2.051 596 E HA -0.114 4.236 4.350 -0.000 0.000 0.189 596 E C 2.059 178.596 176.600 -0.104 0.000 0.979 596 E CA 0.869 57.213 56.400 -0.094 0.000 0.803 596 E CB -0.285 29.375 29.700 -0.068 0.000 0.761 596 E HN 0.211 nan 8.360 nan 0.000 0.451 597 K N 0.471 120.780 120.400 -0.151 0.000 2.202 597 K HA -0.045 4.275 4.320 -0.000 0.000 0.201 597 K C 0.460 176.975 176.600 -0.142 0.000 1.051 597 K CA 0.678 56.892 56.287 -0.120 0.000 0.977 597 K CB 0.482 32.924 32.500 -0.097 0.000 0.792 597 K HN -0.027 nan 8.250 nan 0.000 0.469 598 D N 1.603 121.828 120.400 -0.292 0.000 2.434 598 D HA -0.012 4.628 4.640 -0.000 0.000 0.232 598 D C 1.289 177.544 176.300 -0.074 0.000 1.166 598 D CA 0.078 53.922 54.000 -0.261 0.000 0.830 598 D CB 0.296 40.796 40.800 -0.500 0.000 0.960 598 D HN 0.355 nan 8.370 nan 0.000 0.497 599 R N 0.988 121.478 120.500 -0.018 0.000 2.083 599 R HA -0.082 4.258 4.340 -0.000 0.000 0.237 599 R C 1.961 178.345 176.300 0.140 0.000 1.137 599 R CA 1.362 57.535 56.100 0.122 0.000 0.951 599 R CB -0.636 29.703 30.300 0.065 0.000 0.851 599 R HN 0.029 nan 8.270 nan 0.000 0.434 600 A N 1.025 123.895 122.820 0.083 0.000 2.172 600 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 600 A C 1.971 179.604 177.584 0.081 0.000 1.154 600 A CA 0.871 52.950 52.037 0.070 0.000 0.701 600 A CB -0.339 18.688 19.000 0.045 0.000 0.789 600 A HN 0.493 nan 8.150 nan 0.000 0.465 601 I N -1.658 118.984 120.570 0.120 0.000 3.956 601 I HA 0.156 4.326 4.170 -0.000 0.000 0.333 601 I C 2.152 178.326 176.117 0.095 0.000 1.302 601 I CA 0.632 61.994 61.300 0.103 0.000 1.122 601 I CB 0.094 38.158 38.000 0.106 0.000 1.013 601 I HN 0.301 nan 8.210 nan 0.000 0.405 602 A N 1.009 123.916 122.820 0.145 0.000 1.877 602 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 602 A C 2.485 180.028 177.584 -0.068 0.000 1.186 602 A CA 1.769 53.808 52.037 0.003 0.000 0.620 602 A CB -0.852 18.172 19.000 0.039 0.000 0.822 602 A HN 0.482 nan 8.150 nan 0.000 0.443 603 A N 0.175 122.982 122.820 -0.020 0.000 1.884 603 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 603 A C 1.793 179.350 177.584 -0.045 0.000 1.197 603 A CA 2.146 54.164 52.037 -0.033 0.000 0.637 603 A CB -0.789 18.207 19.000 -0.006 0.000 0.827 603 A HN 0.500 nan 8.150 nan 0.000 0.450 604 D N -0.760 119.623 120.400 -0.029 0.000 2.178 604 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 604 D C 1.788 178.044 176.300 -0.073 0.000 0.974 604 D CA 1.122 55.105 54.000 -0.030 0.000 0.841 604 D CB -0.308 40.491 40.800 -0.002 0.000 0.953 604 D HN 0.360 nan 8.370 nan 0.000 0.478 605 L N 0.538 121.683 121.223 -0.130 0.000 2.141 605 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 605 L C 2.128 178.883 176.870 -0.192 0.000 1.094 605 L CA 1.087 55.786 54.840 -0.235 0.000 0.763 605 L CB -0.320 41.550 42.059 -0.316 0.000 0.908 605 L HN -0.169 nan 8.230 nan 0.000 0.437 606 V N -0.072 119.745 119.914 -0.162 0.000 2.261 606 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 606 V C 2.570 178.609 176.094 -0.092 0.000 1.047 606 V CA 2.138 64.352 62.300 -0.144 0.000 1.015 606 V CB -0.556 31.190 31.823 -0.130 0.000 0.642 606 V HN 0.468 nan 8.190 nan 0.000 0.446 607 K N -0.544 119.818 120.400 -0.064 0.000 2.063 607 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 607 K C 2.031 178.619 176.600 -0.021 0.000 1.048 607 K CA 1.568 57.834 56.287 -0.035 0.000 0.928 607 K CB -0.403 32.086 32.500 -0.018 0.000 0.713 607 K HN 0.273 nan 8.250 nan 0.000 0.442 608 I N 1.515 122.074 120.570 -0.017 0.000 2.226 608 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 608 I C 2.082 178.211 176.117 0.020 0.000 1.100 608 I CA 1.252 62.567 61.300 0.024 0.000 1.374 608 I CB -0.236 37.809 38.000 0.074 0.000 1.057 608 I HN 0.096 nan 8.210 nan 0.000 0.413 609 L N -0.388 120.824 121.223 -0.020 0.000 2.017 609 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 609 L C 2.453 179.306 176.870 -0.028 0.000 1.073 609 L CA 1.521 56.346 54.840 -0.025 0.000 0.745 609 L CB -0.759 41.254 42.059 -0.077 0.000 0.894 609 L HN 0.276 nan 8.230 nan 0.000 0.432 610 E N 0.159 120.335 120.200 -0.039 0.000 2.017 610 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 610 E C 2.156 178.744 176.600 -0.021 0.000 0.997 610 E CA 1.180 57.559 56.400 -0.034 0.000 0.804 610 E CB -0.487 29.191 29.700 -0.037 0.000 0.757 610 E HN 0.554 nan 8.360 nan 0.000 0.448 611 G N 0.939 109.732 108.800 -0.012 0.000 2.537 611 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 611 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 611 G C 1.337 176.234 174.900 -0.004 0.000 1.111 611 G CA 1.272 46.369 45.100 -0.004 0.000 0.748 611 G HN 0.344 nan 8.290 nan 0.000 0.564 612 S N -1.403 114.293 115.700 -0.006 0.000 2.749 612 S HA 0.463 4.933 4.470 -0.000 0.000 0.246 612 S C 1.051 175.636 174.600 -0.024 0.000 1.023 612 S CA 0.476 58.669 58.200 -0.011 0.000 1.012 612 S CB 0.371 63.572 63.200 0.002 0.000 0.942 612 S HN 1.409 nan 8.310 nan 0.000 0.531 613 G N 2.067 110.852 108.800 -0.026 0.000 2.374 613 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.289 613 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.289 613 G C -0.558 174.323 174.900 -0.032 0.000 1.004 613 G CA -0.202 44.879 45.100 -0.032 0.000 1.292 613 G HN 0.513 nan 8.290 nan 0.000 0.502 614 Q N -0.231 119.551 119.800 -0.031 0.000 2.389 614 Q HA 0.588 4.928 4.340 -0.000 0.000 0.277 614 Q C 0.482 176.455 176.000 -0.045 0.000 1.082 614 Q CA -0.175 55.609 55.803 -0.032 0.000 0.810 614 Q CB 1.753 30.479 28.738 -0.020 0.000 1.374 614 Q HN 0.820 nan 8.270 nan 0.000 0.422 615 T N -2.020 112.507 114.554 -0.046 0.000 2.930 615 T HA 0.338 4.688 4.350 -0.000 0.000 0.306 615 T C 0.208 174.852 174.700 -0.093 0.000 1.045 615 T CA -0.434 61.631 62.100 -0.058 0.000 1.134 615 T CB 0.298 69.139 68.868 -0.044 0.000 0.961 615 T HN 0.257 nan 8.240 nan 0.000 0.545 616 V N 6.368 126.212 119.914 -0.116 0.000 2.318 616 V HA 0.309 4.429 4.120 -0.000 0.000 0.271 616 V C -1.888 174.063 176.094 -0.239 0.000 1.030 616 V CA -1.717 60.473 62.300 -0.182 0.000 0.844 616 V CB 0.357 32.079 31.823 -0.167 0.000 1.015 616 V HN 0.864 nan 8.190 nan 0.000 0.460 617 P HA 0.047 nan 4.420 nan 0.000 0.266 617 P C 0.216 177.223 177.300 -0.488 0.000 1.186 617 P CA 0.078 62.921 63.100 -0.428 0.000 0.767 617 P CB 0.651 31.903 31.700 -0.746 0.000 0.820 618 D N 1.556 121.798 120.400 -0.263 0.000 2.117 618 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 618 D C 1.422 177.631 176.300 -0.150 0.000 0.987 618 D CA 1.245 55.155 54.000 -0.150 0.000 0.829 618 D CB -0.838 39.954 40.800 -0.014 0.000 0.961 618 D HN 0.541 nan 8.370 nan 0.000 0.460 619 F N 0.551 120.479 119.950 -0.036 0.000 2.307 619 F HA -0.007 4.520 4.527 -0.000 0.000 0.301 619 F C 1.584 177.333 175.800 -0.084 0.000 1.076 619 F CA 0.654 58.638 58.000 -0.027 0.000 1.383 619 F CB -0.825 38.184 39.000 0.016 0.000 1.055 619 F HN -0.060 nan 8.300 nan 0.000 0.526 620 L N -0.162 120.703 121.223 -0.595 0.000 2.291 620 L HA 0.036 4.376 4.340 -0.000 0.000 0.214 620 L C 1.767 178.504 176.870 -0.222 0.000 1.120 620 L CA 0.541 55.092 54.840 -0.482 0.000 0.799 620 L CB -0.436 41.205 42.059 -0.696 0.000 0.925 620 L HN 0.083 nan 8.230 nan 0.000 0.446 621 R N 0.000 120.399 120.500 -0.168 0.000 2.786 621 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 621 R CA 0.000 56.047 56.100 -0.088 0.000 0.921 621 R CB 0.000 30.247 30.300 -0.088 0.000 0.687 621 R HN 0.000 nan 8.270 nan 0.000 0.535