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 3my0_1_R DATA FIRST_RESID 0 DATA SEQUENCE MXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXQRTVA DATA SEQUENCE RQVALVECVG KGRYGEVWRG LWHGESVAVK IFSSRDEQSW FRETEIYNTV DATA SEQUENCE LLRHDNILGF IASDMTXXXX XXQLWLITHY HEHGSLYDFL QRQTLEPHLA DATA SEQUENCE LRLAVSAACG LAHLHVEIFG TQGKPAIAHR DFKSRNVLVK SNLQCCIADL DATA SEQUENCE GLAVMHSQGS DYLDIGNNPR VGTKRYMAPE VLDEQIRTDC FESYKWTDIW DATA SEQUENCE AFGLVLWEIA RRTIVNGIVE DYRPPFYDVV PNDPSFEDMK KVVCVDQQTP DATA SEQUENCE TIPNRLAADP VLSGLAQMMR ECWYPNPSAR LTALRIKKTL QKIS 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.298 176.300 -0.004 0.000 1.140 0 M CA 0.000 55.314 55.300 0.023 0.000 0.988 0 M CB 0.000 32.613 32.600 0.022 0.000 1.302 196 R N 1.272 121.766 120.500 -0.010 0.000 2.075 196 R HA -0.021 4.319 4.340 0.000 0.000 0.232 196 R C 2.528 178.826 176.300 -0.002 0.000 1.126 196 R CA 2.786 58.886 56.100 0.000 0.000 0.963 196 R CB -1.671 28.637 30.300 0.014 0.000 0.858 196 R HN 1.126 nan 8.270 nan 0.000 0.435 197 T N -1.773 112.791 114.554 0.018 0.000 3.160 197 T HA 0.093 4.444 4.350 0.000 0.000 0.257 197 T C 1.692 176.457 174.700 0.109 0.000 1.147 197 T CA 0.909 63.043 62.100 0.056 0.000 1.064 197 T CB 0.177 69.089 68.868 0.073 0.000 0.949 197 T HN 0.115 nan 8.240 nan 0.000 0.526 198 V N 0.772 120.697 119.914 0.018 0.000 3.041 198 V HA 0.153 4.274 4.120 0.000 0.000 0.260 198 V C 2.810 178.883 176.094 -0.036 0.000 1.105 198 V CA 1.178 63.417 62.300 -0.101 0.000 1.125 198 V CB -0.827 30.670 31.823 -0.543 0.000 0.730 198 V HN 0.674 nan 8.190 nan 0.000 0.479 199 A N 0.412 123.243 122.820 0.019 0.000 1.984 199 A HA 0.050 4.370 4.320 0.000 0.000 0.214 199 A C 2.479 180.119 177.584 0.093 0.000 1.173 199 A CA 1.184 53.276 52.037 0.092 0.000 0.673 199 A CB -0.399 18.628 19.000 0.045 0.000 0.830 199 A HN 0.448 nan 8.150 nan 0.000 0.453 200 R N -1.205 119.322 120.500 0.045 0.000 2.115 200 R HA 0.042 4.382 4.340 0.000 0.000 0.230 200 R C 2.302 178.651 176.300 0.081 0.000 1.111 200 R CA 2.159 58.274 56.100 0.025 0.000 0.976 200 R CB -1.729 28.577 30.300 0.009 0.000 0.870 200 R HN 0.796 nan 8.270 nan 0.000 0.445 201 Q N -0.176 119.714 119.800 0.149 0.000 2.354 201 Q HA 0.415 4.755 4.340 0.000 0.000 0.203 201 Q C 1.345 177.445 176.000 0.167 0.000 0.933 201 Q CA 0.721 56.597 55.803 0.121 0.000 0.901 201 Q CB -0.356 28.430 28.738 0.079 0.000 1.007 201 Q HN 0.476 nan 8.270 nan 0.000 0.495 202 V N 2.014 122.109 119.914 0.301 0.000 2.540 202 V HA 0.434 4.555 4.120 0.000 0.000 0.297 202 V C 0.508 176.705 176.094 0.172 0.000 1.024 202 V CA 0.004 62.470 62.300 0.277 0.000 1.105 202 V CB 0.578 32.561 31.823 0.266 0.000 0.938 202 V HN 0.617 nan 8.190 nan 0.000 0.482 203 A N 7.021 129.904 122.820 0.105 0.000 2.292 203 A HA 0.706 5.026 4.320 0.000 0.000 0.319 203 A C -0.474 177.139 177.584 0.048 0.000 1.206 203 A CA -0.620 51.456 52.037 0.065 0.000 0.835 203 A CB 0.484 19.506 19.000 0.037 0.000 1.164 203 A HN 0.791 nan 8.150 nan 0.000 0.505 204 L N 3.718 124.955 121.223 0.024 0.000 2.276 204 L HA 0.297 4.637 4.340 0.000 0.000 0.286 204 L C 0.508 177.469 176.870 0.153 0.000 1.061 204 L CA -0.353 54.508 54.840 0.036 0.000 0.807 204 L CB 1.413 43.350 42.059 -0.204 0.000 1.177 204 L HN 0.630 nan 8.230 nan 0.000 0.429 205 V N 1.242 121.287 119.914 0.218 0.000 2.911 205 V HA 0.190 4.310 4.120 0.000 0.000 0.237 205 V C 0.688 176.886 176.094 0.174 0.000 1.156 205 V CA 0.990 63.385 62.300 0.158 0.000 1.180 205 V CB 0.714 32.563 31.823 0.043 0.000 0.932 205 V HN 0.834 nan 8.190 nan 0.000 0.483 206 E N -1.028 119.229 120.200 0.096 0.000 2.308 206 E HA 0.507 4.858 4.350 0.000 0.000 0.275 206 E C -1.003 175.232 176.600 -0.608 0.000 0.890 206 E CA -0.196 56.090 56.400 -0.191 0.000 0.754 206 E CB 1.176 30.788 29.700 -0.146 0.000 1.207 206 E HN 0.282 nan 8.360 nan 0.000 0.426 207 C N 3.430 121.959 119.300 -1.286 0.000 2.349 207 C HA 0.546 5.007 4.460 0.000 0.000 0.348 207 C C 1.442 176.040 174.990 -0.654 0.000 1.223 207 C CA 0.453 58.513 59.018 -1.597 0.000 1.746 207 C CB -1.269 25.447 27.740 -1.707 0.000 2.360 207 C HN 1.108 nan 8.230 nan 0.000 0.533 208 V N 4.205 123.878 119.914 -0.402 0.000 3.578 208 V HA 0.592 4.712 4.120 0.000 0.000 0.290 208 V C 0.708 176.760 176.094 -0.071 0.000 1.376 208 V CA 0.671 62.885 62.300 -0.144 0.000 1.083 208 V CB -0.476 31.357 31.823 0.017 0.000 0.911 208 V HN 1.077 nan 8.190 nan 0.000 0.433 209 G N -0.740 108.003 108.800 -0.094 0.000 2.702 209 G HA2 0.732 4.692 3.960 0.000 0.000 0.296 209 G HA3 0.732 4.692 3.960 0.000 0.000 0.296 209 G C -1.273 173.635 174.900 0.014 0.000 1.463 209 G CA 0.038 45.151 45.100 0.022 0.000 0.890 209 G HN 0.675 nan 8.290 nan 0.000 0.534 210 K N -0.786 119.608 120.400 -0.010 0.000 2.546 210 K HA 1.023 5.343 4.320 0.000 0.000 0.264 210 K C -0.000 176.420 176.600 -0.299 0.000 0.937 210 K CA 0.083 56.281 56.287 -0.148 0.000 0.833 210 K CB 1.778 34.223 32.500 -0.092 0.000 1.378 210 K HN 2.553 nan 8.250 nan 0.000 0.432 211 G N -1.242 107.203 108.800 -0.592 0.000 2.341 211 G HA2 0.545 4.505 3.960 0.000 0.000 0.299 211 G HA3 0.545 4.505 3.960 0.000 0.000 0.299 211 G C 0.655 175.225 174.900 -0.550 0.000 1.274 211 G CA 0.978 45.731 45.100 -0.579 0.000 0.853 211 G HN 1.371 nan 8.290 nan 0.000 0.493 212 R N -1.238 119.083 120.500 -0.299 0.000 2.189 212 R HA 0.085 4.425 4.340 0.000 0.000 0.223 212 R C 2.219 178.481 176.300 -0.063 0.000 1.092 212 R CA 2.528 58.560 56.100 -0.114 0.000 0.989 212 R CB -1.630 28.675 30.300 0.007 0.000 0.876 212 R HN 1.169 nan 8.270 nan 0.000 0.457 213 Y N -2.121 118.194 120.300 0.026 0.000 2.509 213 Y HA 0.361 4.911 4.550 0.000 0.000 0.293 213 Y C 1.226 177.109 175.900 -0.029 0.000 1.133 213 Y CA -0.178 57.931 58.100 0.016 0.000 1.283 213 Y CB -0.194 38.246 38.460 -0.034 0.000 1.001 213 Y HN 0.513 nan 8.280 nan 0.000 0.555 214 G N -0.122 108.484 108.800 -0.323 0.000 2.253 214 G HA2 0.022 3.983 3.960 0.000 0.000 0.190 214 G HA3 0.022 3.983 3.960 0.000 0.000 0.190 214 G C -1.355 173.411 174.900 -0.224 0.000 1.274 214 G CA -0.390 44.627 45.100 -0.137 0.000 1.275 214 G HN 0.313 nan 8.290 nan 0.000 0.518 215 E N -1.229 118.998 120.200 0.044 0.000 2.356 215 E HA 0.584 4.934 4.350 0.000 0.000 0.275 215 E C -1.354 175.405 176.600 0.264 0.000 0.904 215 E CA -0.832 55.665 56.400 0.162 0.000 0.757 215 E CB 3.169 33.036 29.700 0.279 0.000 1.232 215 E HN 0.430 nan 8.360 nan 0.000 0.442 216 V N 1.932 121.993 119.914 0.246 0.000 2.495 216 V HA 0.434 4.554 4.120 0.000 0.000 0.298 216 V C -1.190 174.989 176.094 0.141 0.000 1.031 216 V CA -0.693 61.722 62.300 0.192 0.000 0.871 216 V CB 0.842 32.737 31.823 0.120 0.000 0.988 216 V HN 0.593 nan 8.190 nan 0.000 0.432 217 W N 2.916 124.174 121.300 -0.071 0.000 2.689 217 W HA 0.645 5.305 4.660 0.000 0.000 0.340 217 W C 0.218 176.670 176.519 -0.113 0.000 1.060 217 W CA -0.826 56.462 57.345 -0.094 0.000 1.218 217 W CB 1.427 30.786 29.460 -0.168 0.000 1.410 217 W HN 0.362 nan 8.180 nan 0.000 0.528 218 R N 1.551 122.048 120.500 -0.004 0.000 2.265 218 R HA 0.597 4.937 4.340 0.000 0.000 0.314 218 R C 0.163 176.383 176.300 -0.132 0.000 1.053 218 R CA -0.055 55.860 56.100 -0.309 0.000 0.931 218 R CB 0.218 30.166 30.300 -0.586 0.000 1.024 218 R HN 0.724 nan 8.270 nan 0.000 0.457 219 G N 3.473 112.180 108.800 -0.155 0.000 2.498 219 G HA2 0.394 4.355 3.960 0.000 0.000 0.312 219 G HA3 0.394 4.355 3.960 0.000 0.000 0.312 219 G C -1.652 173.227 174.900 -0.036 0.000 1.230 219 G CA -0.661 44.412 45.100 -0.045 0.000 0.968 219 G HN 0.458 nan 8.290 nan 0.000 0.481 220 L N 1.084 122.320 121.223 0.022 0.000 2.287 220 L HA 0.679 5.020 4.340 0.000 0.000 0.287 220 L C -1.883 175.062 176.870 0.124 0.000 1.022 220 L CA -0.814 54.055 54.840 0.047 0.000 0.814 220 L CB 1.416 43.483 42.059 0.013 0.000 1.217 220 L HN 0.728 nan 8.230 nan 0.000 0.420 221 W N 6.175 127.449 121.300 -0.043 0.000 2.587 221 W HA 0.374 5.034 4.660 0.000 0.000 0.324 221 W C 0.088 176.601 176.519 -0.010 0.000 1.008 221 W CA -0.306 56.991 57.345 -0.080 0.000 1.265 221 W CB 0.254 29.662 29.460 -0.087 0.000 1.328 221 W HN 0.802 nan 8.180 nan 0.000 0.432 222 H N 4.687 123.381 119.070 -0.626 0.000 2.506 222 H HA -0.209 4.347 4.556 0.000 0.000 0.323 222 H C 1.478 176.688 175.328 -0.198 0.000 1.076 222 H CA 1.333 57.042 56.048 -0.564 0.000 1.108 222 H CB -0.769 28.391 29.762 -1.004 0.000 1.569 222 H HN 1.081 nan 8.280 nan 0.000 0.399 223 G N -0.192 108.607 108.800 -0.002 0.000 2.458 223 G HA2 -0.347 3.614 3.960 0.000 0.000 0.237 223 G HA3 -0.347 3.614 3.960 0.000 0.000 0.237 223 G C 0.301 175.232 174.900 0.051 0.000 1.113 223 G CA 0.575 45.686 45.100 0.019 0.000 0.655 223 G HN 0.574 nan 8.290 nan 0.000 0.513 224 E N 0.744 121.009 120.200 0.109 0.000 2.318 224 E HA 0.584 4.934 4.350 0.000 0.000 0.265 224 E C -0.248 176.415 176.600 0.104 0.000 1.069 224 E CA -0.148 56.322 56.400 0.116 0.000 0.893 224 E CB 1.060 30.859 29.700 0.165 0.000 1.076 224 E HN 0.183 nan 8.360 nan 0.000 0.414 225 S N 0.864 116.602 115.700 0.064 0.000 2.499 225 S HA 0.379 4.850 4.470 0.000 0.000 0.279 225 S C -0.532 174.097 174.600 0.048 0.000 1.219 225 S CA -0.798 57.405 58.200 0.006 0.000 1.062 225 S CB 0.905 64.090 63.200 -0.024 0.000 0.978 225 S HN 0.370 nan 8.310 nan 0.000 0.489 226 V N 0.210 120.125 119.914 0.001 0.000 2.962 226 V HA 0.991 5.111 4.120 0.000 0.000 0.313 226 V C -0.269 175.837 176.094 0.020 0.000 1.099 226 V CA -1.393 60.934 62.300 0.044 0.000 0.971 226 V CB 1.406 33.242 31.823 0.021 0.000 1.028 226 V HN 0.877 nan 8.190 nan 0.000 0.430 227 A N 2.597 125.487 122.820 0.116 0.000 2.301 227 A HA 0.791 5.111 4.320 0.000 0.000 0.298 227 A C -0.397 177.209 177.584 0.036 0.000 1.185 227 A CA -0.547 51.578 52.037 0.147 0.000 0.830 227 A CB 0.987 20.112 19.000 0.208 0.000 1.112 227 A HN 1.419 nan 8.150 nan 0.000 0.508 228 V N 3.675 123.587 119.914 -0.002 0.000 2.326 228 V HA 0.281 4.401 4.120 0.000 0.000 0.281 228 V C 0.192 176.228 176.094 -0.096 0.000 1.015 228 V CA -0.604 61.620 62.300 -0.126 0.000 0.823 228 V CB 1.186 32.776 31.823 -0.387 0.000 1.009 228 V HN 0.904 nan 8.190 nan 0.000 0.436 229 K N 5.684 126.068 120.400 -0.026 0.000 2.267 229 K HA 0.521 4.841 4.320 0.000 0.000 0.282 229 K C -0.691 175.891 176.600 -0.030 0.000 1.078 229 K CA -0.415 55.853 56.287 -0.032 0.000 0.903 229 K CB 0.533 32.990 32.500 -0.071 0.000 1.111 229 K HN 0.633 nan 8.250 nan 0.000 0.475 230 I N 5.726 126.241 120.570 -0.091 0.000 2.312 230 I HA 0.179 4.349 4.170 0.000 0.000 0.291 230 I C -0.184 176.001 176.117 0.113 0.000 1.031 230 I CA -0.639 60.664 61.300 0.005 0.000 1.293 230 I CB 0.473 38.406 38.000 -0.111 0.000 1.403 230 I HN 0.442 nan 8.210 nan 0.000 0.484 231 F N 3.934 123.980 119.950 0.161 0.000 2.389 231 F HA 0.226 4.753 4.527 0.000 0.000 0.337 231 F C 1.223 177.089 175.800 0.110 0.000 1.112 231 F CA -0.190 57.916 58.000 0.177 0.000 1.192 231 F CB 1.197 40.316 39.000 0.199 0.000 1.185 231 F HN 0.481 nan 8.300 nan 0.000 0.552 232 S N 0.449 116.303 115.700 0.256 0.000 2.617 232 S HA 0.152 4.622 4.470 0.000 0.000 0.269 232 S C 0.875 175.573 174.600 0.163 0.000 1.292 232 S CA -0.615 57.679 58.200 0.155 0.000 1.010 232 S CB 1.383 64.638 63.200 0.091 0.000 0.944 232 S HN 0.614 nan 8.310 nan 0.000 0.536 233 S N 1.420 117.178 115.700 0.097 0.000 2.383 233 S HA -0.100 4.370 4.470 0.000 0.000 0.229 233 S C 2.445 177.094 174.600 0.082 0.000 1.030 233 S CA 1.387 59.629 58.200 0.070 0.000 1.002 233 S CB -0.851 62.372 63.200 0.039 0.000 0.829 233 S HN 0.916 nan 8.310 nan 0.000 0.467 234 R N 0.968 121.522 120.500 0.089 0.000 2.328 234 R HA 0.062 4.403 4.340 0.000 0.000 0.207 234 R C 1.234 177.613 176.300 0.132 0.000 1.056 234 R CA 1.493 57.647 56.100 0.091 0.000 1.016 234 R CB -0.750 29.597 30.300 0.077 0.000 0.872 234 R HN 0.356 nan 8.270 nan 0.000 0.471 235 D N -1.137 119.378 120.400 0.193 0.000 2.599 235 D HA 0.117 4.757 4.640 0.000 0.000 0.249 235 D C 0.810 177.294 176.300 0.307 0.000 1.313 235 D CA -0.195 53.972 54.000 0.278 0.000 0.815 235 D CB 0.160 41.190 40.800 0.382 0.000 1.077 235 D HN 0.570 nan 8.370 nan 0.000 0.492 236 E N -0.136 120.181 120.200 0.195 0.000 2.130 236 E HA -0.211 4.139 4.350 0.000 0.000 0.196 236 E C 1.571 178.289 176.600 0.197 0.000 0.998 236 E CA 0.970 57.455 56.400 0.141 0.000 0.806 236 E CB 0.193 29.929 29.700 0.059 0.000 0.738 236 E HN 0.435 nan 8.360 nan 0.000 0.459 237 Q N -0.042 119.859 119.800 0.169 0.000 2.224 237 Q HA -0.070 4.270 4.340 0.000 0.000 0.203 237 Q C 2.247 178.365 176.000 0.196 0.000 0.970 237 Q CA 0.764 56.675 55.803 0.180 0.000 0.865 237 Q CB 0.108 28.914 28.738 0.114 0.000 0.922 237 Q HN 0.140 nan 8.270 nan 0.000 0.445 238 S N 0.396 116.211 115.700 0.190 0.000 2.368 238 S HA -0.150 4.320 4.470 0.000 0.000 0.224 238 S C 1.240 175.859 174.600 0.031 0.000 1.029 238 S CA 0.879 59.191 58.200 0.186 0.000 0.988 238 S CB -0.331 63.093 63.200 0.374 0.000 0.838 238 S HN 0.577 nan 8.310 nan 0.000 0.462 239 W N 1.458 122.450 121.300 -0.512 0.000 2.363 239 W HA -0.173 4.487 4.660 0.000 0.000 0.296 239 W C 1.768 178.143 176.519 -0.240 0.000 1.212 239 W CA 1.135 57.963 57.345 -0.862 0.000 1.260 239 W CB -0.487 28.264 29.460 -1.182 0.000 1.131 239 W HN 0.270 nan 8.180 nan 0.000 0.530 240 F N 1.722 121.582 119.950 -0.150 0.000 2.084 240 F HA -0.138 4.389 4.527 0.000 0.000 0.296 240 F C 2.636 178.235 175.800 -0.336 0.000 1.111 240 F CA 2.420 60.240 58.000 -0.300 0.000 1.224 240 F CB -0.937 38.073 39.000 0.017 0.000 0.991 240 F HN -0.201 nan 8.300 nan 0.000 0.471 241 R N 0.989 121.402 120.500 -0.146 0.000 2.091 241 R HA -0.194 4.146 4.340 0.000 0.000 0.238 241 R C 2.203 178.298 176.300 -0.341 0.000 1.136 241 R CA 2.166 58.125 56.100 -0.235 0.000 0.959 241 R CB -0.978 29.272 30.300 -0.083 0.000 0.856 241 R HN 0.507 nan 8.270 nan 0.000 0.437 242 E N -1.400 118.626 120.200 -0.289 0.000 2.106 242 E HA -0.107 4.243 4.350 0.000 0.000 0.192 242 E C 1.354 177.755 176.600 -0.333 0.000 0.984 242 E CA 1.603 57.851 56.400 -0.254 0.000 0.806 242 E CB 0.058 29.748 29.700 -0.016 0.000 0.750 242 E HN 0.382 nan 8.360 nan 0.000 0.458 243 T N 0.250 114.477 114.554 -0.544 0.000 2.777 243 T HA -0.169 4.181 4.350 0.000 0.000 0.266 243 T C 1.996 176.357 174.700 -0.565 0.000 1.040 243 T CA 1.643 63.375 62.100 -0.613 0.000 1.141 243 T CB -0.432 67.837 68.868 -0.999 0.000 0.868 243 T HN 0.450 nan 8.240 nan 0.000 0.444 244 E N 1.393 121.202 120.200 -0.652 0.000 2.031 244 E HA -0.103 4.247 4.350 0.000 0.000 0.193 244 E C 2.053 178.407 176.600 -0.410 0.000 0.994 244 E CA 1.445 57.513 56.400 -0.553 0.000 0.800 244 E CB -1.000 28.323 29.700 -0.628 0.000 0.752 244 E HN 0.631 nan 8.360 nan 0.000 0.447 245 I N -0.892 119.429 120.570 -0.416 0.000 2.179 245 I HA -0.223 3.947 4.170 0.000 0.000 0.242 245 I C 2.669 178.549 176.117 -0.396 0.000 1.088 245 I CA 1.559 62.625 61.300 -0.391 0.000 1.357 245 I CB -0.268 37.466 38.000 -0.445 0.000 1.051 245 I HN 0.297 nan 8.210 nan 0.000 0.409 246 Y N 1.000 120.998 120.300 -0.505 0.000 2.293 246 Y HA -0.165 4.386 4.550 0.000 0.000 0.291 246 Y C 2.391 177.910 175.900 -0.634 0.000 1.137 246 Y CA 1.107 58.780 58.100 -0.710 0.000 1.202 246 Y CB -0.550 37.066 38.460 -1.406 0.000 0.990 246 Y HN 0.237 nan 8.280 nan 0.000 0.537 247 N N -1.561 116.915 118.700 -0.374 0.000 2.446 247 N HA -0.057 4.683 4.740 0.000 0.000 0.179 247 N C 1.430 176.855 175.510 -0.142 0.000 1.054 247 N CA 1.216 54.141 53.050 -0.209 0.000 0.905 247 N CB 0.038 38.415 38.487 -0.184 0.000 0.973 247 N HN 0.262 nan 8.380 nan 0.000 0.448 248 T N -0.382 114.069 114.554 -0.172 0.000 3.018 248 T HA 0.211 4.562 4.350 0.000 0.000 0.246 248 T C 0.510 175.143 174.700 -0.112 0.000 1.026 248 T CA 0.095 62.113 62.100 -0.136 0.000 1.081 248 T CB 0.968 69.737 68.868 -0.164 0.000 0.970 248 T HN -0.202 nan 8.240 nan 0.000 0.475 249 V N 2.820 122.658 119.914 -0.127 0.000 2.417 249 V HA 0.447 4.568 4.120 0.000 0.000 0.291 249 V C -0.479 175.584 176.094 -0.050 0.000 1.024 249 V CA -1.010 61.228 62.300 -0.104 0.000 0.861 249 V CB 1.666 33.402 31.823 -0.146 0.000 0.985 249 V HN 0.236 nan 8.190 nan 0.000 0.436 250 L N 5.340 126.551 121.223 -0.020 0.000 2.536 250 L HA 0.210 4.551 4.340 0.000 0.000 0.282 250 L C 0.579 177.494 176.870 0.075 0.000 1.147 250 L CA 0.836 55.696 54.840 0.033 0.000 0.936 250 L CB 0.091 42.172 42.059 0.038 0.000 1.279 250 L HN 0.666 nan 8.230 nan 0.000 0.461 251 L N 2.655 123.946 121.223 0.113 0.000 2.701 251 L HA 0.334 4.674 4.340 0.000 0.000 0.238 251 L C 0.976 178.015 176.870 0.282 0.000 1.106 251 L CA 0.036 54.991 54.840 0.192 0.000 0.898 251 L CB -0.273 41.851 42.059 0.107 0.000 1.188 251 L HN 0.472 nan 8.230 nan 0.000 0.508 252 R N 1.299 121.925 120.500 0.210 0.000 2.494 252 R HA -0.030 4.310 4.340 0.000 0.000 0.291 252 R C -0.894 175.505 176.300 0.165 0.000 0.953 252 R CA 0.889 57.097 56.100 0.180 0.000 1.098 252 R CB -0.547 29.832 30.300 0.132 0.000 0.911 252 R HN 0.295 nan 8.270 nan 0.000 0.407 253 H N 2.512 121.579 119.070 -0.004 0.000 3.121 253 H HA 0.026 4.582 4.556 0.000 0.000 0.337 253 H C -0.212 175.094 175.328 -0.036 0.000 1.198 253 H CA -0.564 55.403 56.048 -0.136 0.000 1.274 253 H CB 1.410 30.885 29.762 -0.479 0.000 1.954 253 H HN 0.504 nan 8.280 nan 0.000 0.531 254 D N 2.196 122.352 120.400 -0.407 0.000 2.190 254 D HA -0.136 4.504 4.640 0.000 0.000 0.200 254 D C 0.442 176.756 176.300 0.023 0.000 0.992 254 D CA 1.404 55.304 54.000 -0.166 0.000 0.854 254 D CB 0.170 40.829 40.800 -0.235 0.000 0.936 254 D HN 0.544 nan 8.370 nan 0.000 0.462 255 N N -0.826 118.013 118.700 0.231 0.000 2.320 255 N HA 0.259 5.000 4.740 0.000 0.000 0.237 255 N C -0.464 175.192 175.510 0.243 0.000 1.129 255 N CA -0.062 53.137 53.050 0.248 0.000 0.854 255 N CB 1.069 39.726 38.487 0.285 0.000 1.083 255 N HN 0.098 nan 8.380 nan 0.000 0.504 256 I N 0.871 121.590 120.570 0.247 0.000 2.569 256 I HA 0.195 4.365 4.170 0.000 0.000 0.290 256 I C -0.814 175.449 176.117 0.244 0.000 1.088 256 I CA -1.200 60.243 61.300 0.238 0.000 1.047 256 I CB 2.235 40.386 38.000 0.253 0.000 1.237 256 I HN -0.063 nan 8.210 nan 0.000 0.421 257 L N 5.576 126.953 121.223 0.257 0.000 2.540 257 L HA 0.266 4.606 4.340 0.000 0.000 0.276 257 L C 0.721 177.697 176.870 0.177 0.000 1.212 257 L CA 0.559 55.550 54.840 0.251 0.000 0.893 257 L CB 0.374 42.579 42.059 0.244 0.000 1.138 257 L HN 0.685 nan 8.230 nan 0.000 0.491 258 G N 4.924 113.742 108.800 0.031 0.000 2.378 258 G HA2 0.183 4.143 3.960 0.000 0.000 0.255 258 G HA3 0.183 4.143 3.960 0.000 0.000 0.255 258 G C -0.782 173.832 174.900 -0.478 0.000 1.270 258 G CA -0.459 44.447 45.100 -0.323 0.000 0.876 258 G HN 0.661 nan 8.290 nan 0.000 0.521 259 F N 2.964 122.570 119.950 -0.573 0.000 2.394 259 F HA 0.542 5.070 4.527 0.000 0.000 0.340 259 F C 0.836 176.374 175.800 -0.437 0.000 1.105 259 F CA -0.852 56.742 58.000 -0.677 0.000 1.124 259 F CB 1.052 39.493 39.000 -0.932 0.000 1.145 259 F HN 0.311 nan 8.300 nan 0.000 0.505 260 I N 3.649 123.566 120.570 -1.087 0.000 3.443 260 I HA 0.416 4.586 4.170 0.000 0.000 0.277 260 I C 0.368 175.840 176.117 -1.075 0.000 1.169 260 I CA 0.094 60.890 61.300 -0.840 0.000 1.419 260 I CB 0.365 38.045 38.000 -0.533 0.000 1.331 260 I HN 0.646 nan 8.210 nan 0.000 0.458 261 A N -0.215 121.866 122.820 -1.232 0.000 2.601 261 A HA 0.704 5.024 4.320 0.000 0.000 0.291 261 A C -1.177 176.223 177.584 -0.307 0.000 1.075 261 A CA -0.330 51.277 52.037 -0.717 0.000 0.671 261 A CB 1.753 20.557 19.000 -0.326 0.000 1.277 261 A HN -0.050 nan 8.150 nan 0.000 0.417 262 S N 0.078 115.838 115.700 0.099 0.000 2.571 262 S HA 0.691 5.161 4.470 0.000 0.000 0.284 262 S C -1.849 172.957 174.600 0.343 0.000 1.128 262 S CA -0.361 58.044 58.200 0.341 0.000 0.970 262 S CB 1.491 64.890 63.200 0.332 0.000 1.039 262 S HN 0.807 nan 8.310 nan 0.000 0.485 263 D N 2.147 122.816 120.400 0.449 0.000 2.570 263 D HA 0.498 5.138 4.640 0.000 0.000 0.244 263 D C -1.347 175.044 176.300 0.151 0.000 1.178 263 D CA -0.388 53.761 54.000 0.249 0.000 0.881 263 D CB 2.004 42.835 40.800 0.051 0.000 1.453 263 D HN 0.604 nan 8.370 nan 0.000 0.447 264 M N 1.997 121.584 119.600 -0.022 0.000 2.267 264 M HA 0.525 5.005 4.480 0.000 0.000 0.289 264 M C -1.492 174.675 176.300 -0.222 0.000 1.043 264 M CA -0.109 55.085 55.300 -0.176 0.000 0.928 264 M CB 1.635 34.164 32.600 -0.119 0.000 1.613 264 M HN 0.431 nan 8.290 nan 0.000 0.450 273 L N 2.101 123.261 121.223 -0.105 0.000 2.287 273 L HA 0.798 5.138 4.340 0.000 0.000 0.287 273 L C -0.640 176.388 176.870 0.264 0.000 1.022 273 L CA -0.872 53.722 54.840 -0.411 0.000 0.814 273 L CB 0.768 42.151 42.059 -1.128 0.000 1.217 273 L HN 0.806 nan 8.230 nan 0.000 0.420 274 W N 4.253 125.594 121.300 0.069 0.000 2.666 274 W HA 0.635 5.295 4.660 0.000 0.000 0.334 274 W C -0.625 176.225 176.519 0.550 0.000 1.051 274 W CA -0.945 56.584 57.345 0.306 0.000 1.224 274 W CB 1.673 31.227 29.460 0.157 0.000 1.405 274 W HN 0.202 nan 8.180 nan 0.000 0.513 275 L N 4.126 125.774 121.223 0.709 0.000 2.376 275 L HA 0.610 4.950 4.340 0.000 0.000 0.275 275 L C -1.095 175.930 176.870 0.258 0.000 0.987 275 L CA -0.384 54.776 54.840 0.534 0.000 0.828 275 L CB 0.939 43.400 42.059 0.669 0.000 1.249 275 L HN 0.284 nan 8.230 nan 0.000 0.409 276 I N 4.336 124.959 120.570 0.089 0.000 2.377 276 I HA 0.632 4.802 4.170 0.000 0.000 0.293 276 I C 0.228 176.226 176.117 -0.198 0.000 0.987 276 I CA -0.098 61.172 61.300 -0.051 0.000 1.185 276 I CB 1.953 39.904 38.000 -0.082 0.000 1.341 276 I HN 0.725 nan 8.210 nan 0.000 0.455 277 T N 0.311 114.787 114.554 -0.129 0.000 2.804 277 T HA 0.462 4.812 4.350 0.000 0.000 0.290 277 T C -0.269 174.381 174.700 -0.084 0.000 1.099 277 T CA -0.915 61.074 62.100 -0.185 0.000 1.011 277 T CB 0.750 69.561 68.868 -0.094 0.000 1.291 277 T HN 0.486 nan 8.240 nan 0.000 0.523 278 H N -0.588 118.415 119.070 -0.112 0.000 2.852 278 H HA 0.268 4.825 4.556 0.000 0.000 0.362 278 H C -1.085 174.106 175.328 -0.228 0.000 1.122 278 H CA -0.167 55.781 56.048 -0.166 0.000 1.419 278 H CB 0.312 29.951 29.762 -0.204 0.000 1.401 278 H HN 0.535 nan 8.280 nan 0.000 0.609 279 Y N 1.581 121.733 120.300 -0.247 0.000 2.360 279 Y HA 0.231 4.781 4.550 0.000 0.000 0.337 279 Y C -0.861 174.777 175.900 -0.436 0.000 1.039 279 Y CA -0.905 57.042 58.100 -0.255 0.000 1.109 279 Y CB 0.788 39.185 38.460 -0.105 0.000 1.201 279 Y HN 0.632 nan 8.280 nan 0.000 0.458 280 H N 4.479 123.155 119.070 -0.657 0.000 2.708 280 H HA 0.246 4.802 4.556 0.000 0.000 0.320 280 H C 0.534 175.418 175.328 -0.740 0.000 0.991 280 H CA -0.572 55.162 56.048 -0.523 0.000 1.243 280 H CB 1.587 31.188 29.762 -0.269 0.000 1.446 280 H HN 0.800 nan 8.280 nan 0.000 0.502 281 E N 1.555 121.494 120.200 -0.435 0.000 2.085 281 E HA -0.221 4.129 4.350 0.000 0.000 0.194 281 E C 0.781 177.310 176.600 -0.117 0.000 0.994 281 E CA 1.184 57.423 56.400 -0.269 0.000 0.801 281 E CB 0.052 29.680 29.700 -0.120 0.000 0.743 281 E HN 0.736 nan 8.360 nan 0.000 0.453 282 H N -0.295 118.736 119.070 -0.065 0.000 2.543 282 H HA -0.009 4.548 4.556 0.000 0.000 0.286 282 H C 1.270 176.598 175.328 -0.001 0.000 1.037 282 H CA -0.023 56.029 56.048 0.007 0.000 1.250 282 H CB 0.113 29.857 29.762 -0.031 0.000 1.373 282 H HN 0.278 nan 8.280 nan 0.000 0.580 283 G N 0.219 109.035 108.800 0.027 0.000 2.553 283 G HA2 -0.330 3.630 3.960 0.000 0.000 0.242 283 G HA3 -0.330 3.630 3.960 0.000 0.000 0.242 283 G C 0.152 175.061 174.900 0.015 0.000 1.277 283 G CA -0.091 45.011 45.100 0.003 0.000 0.910 283 G HN 0.534 nan 8.290 nan 0.000 0.576 284 S N -0.625 115.095 115.700 0.032 0.000 2.624 284 S HA 0.522 4.992 4.470 0.000 0.000 0.263 284 S C 1.480 176.111 174.600 0.051 0.000 1.287 284 S CA 0.292 58.505 58.200 0.021 0.000 0.990 284 S CB 1.536 64.752 63.200 0.027 0.000 0.950 284 S HN 1.727 nan 8.310 nan 0.000 0.561 285 L N 0.463 121.700 121.223 0.023 0.000 2.083 285 L HA -0.017 4.323 4.340 0.000 0.000 0.209 285 L C 2.140 179.057 176.870 0.078 0.000 1.083 285 L CA 1.749 56.621 54.840 0.052 0.000 0.752 285 L CB -1.329 40.736 42.059 0.010 0.000 0.899 285 L HN 0.860 nan 8.230 nan 0.000 0.433 286 Y N 0.518 120.783 120.300 -0.057 0.000 2.081 286 Y HA -0.326 4.224 4.550 0.000 0.000 0.280 286 Y C 2.356 178.121 175.900 -0.225 0.000 1.163 286 Y CA 2.308 60.317 58.100 -0.151 0.000 1.135 286 Y CB -0.344 38.063 38.460 -0.089 0.000 0.970 286 Y HN 0.327 nan 8.280 nan 0.000 0.498 287 D N -0.424 120.019 120.400 0.072 0.000 2.104 287 D HA -0.234 4.406 4.640 0.000 0.000 0.194 287 D C 2.060 178.315 176.300 -0.076 0.000 0.994 287 D CA 1.716 55.712 54.000 -0.006 0.000 0.830 287 D CB -0.769 40.084 40.800 0.088 0.000 0.959 287 D HN 0.402 nan 8.370 nan 0.000 0.452 288 F N 1.588 121.441 119.950 -0.162 0.000 2.102 288 F HA -0.099 4.428 4.527 0.000 0.000 0.298 288 F C 2.270 177.936 175.800 -0.223 0.000 1.105 288 F CA 1.039 58.926 58.000 -0.187 0.000 1.239 288 F CB -0.323 38.576 39.000 -0.168 0.000 0.991 288 F HN -0.134 nan 8.300 nan 0.000 0.474 289 L N -0.255 120.861 121.223 -0.178 0.000 2.362 289 L HA -0.184 4.156 4.340 0.000 0.000 0.219 289 L C 2.298 178.926 176.870 -0.404 0.000 1.134 289 L CA 0.967 55.646 54.840 -0.269 0.000 0.807 289 L CB -0.743 41.246 42.059 -0.117 0.000 0.927 289 L HN 0.265 nan 8.230 nan 0.000 0.447 290 Q N 0.621 120.091 119.800 -0.550 0.000 2.020 290 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 290 Q C 2.586 178.407 176.000 -0.298 0.000 0.982 290 Q CA 2.870 58.379 55.803 -0.490 0.000 0.838 290 Q CB -0.040 28.411 28.738 -0.479 0.000 0.899 290 Q HN 0.415 nan 8.270 nan 0.000 0.423 291 R N -0.658 119.659 120.500 -0.305 0.000 2.156 291 R HA 0.363 4.704 4.340 0.000 0.000 0.207 291 R C 1.205 177.316 176.300 -0.316 0.000 1.040 291 R CA 1.316 57.261 56.100 -0.258 0.000 1.013 291 R CB -1.201 28.969 30.300 -0.217 0.000 0.931 291 R HN 0.452 nan 8.270 nan 0.000 0.465 292 Q N 0.638 120.145 119.800 -0.488 0.000 2.274 292 Q HA 0.607 4.947 4.340 0.000 0.000 0.260 292 Q C 0.217 175.968 176.000 -0.414 0.000 0.974 292 Q CA -0.212 55.259 55.803 -0.553 0.000 0.876 292 Q CB 0.946 29.036 28.738 -1.079 0.000 1.297 292 Q HN 0.793 nan 8.270 nan 0.000 0.446 293 T N -0.877 113.505 114.554 -0.286 0.000 2.929 293 T HA 0.783 5.133 4.350 0.000 0.000 0.284 293 T C -0.144 174.458 174.700 -0.164 0.000 1.014 293 T CA -0.647 61.335 62.100 -0.197 0.000 1.051 293 T CB 0.487 69.269 68.868 -0.143 0.000 1.028 293 T HN 0.598 nan 8.240 nan 0.000 0.485 294 L N 1.768 122.922 121.223 -0.115 0.000 2.325 294 L HA 0.489 4.830 4.340 0.000 0.000 0.281 294 L C 0.631 177.472 176.870 -0.048 0.000 1.004 294 L CA -0.988 53.811 54.840 -0.068 0.000 0.823 294 L CB 1.631 43.663 42.059 -0.045 0.000 1.236 294 L HN 0.743 nan 8.230 nan 0.000 0.415 295 E N 3.944 124.128 120.200 -0.026 0.000 2.398 295 E HA 0.054 4.404 4.350 0.000 0.000 0.263 295 E C -1.655 174.950 176.600 0.008 0.000 1.046 295 E CA -1.430 54.970 56.400 -0.000 0.000 0.908 295 E CB 1.476 31.195 29.700 0.033 0.000 0.963 295 E HN 0.330 nan 8.360 nan 0.000 0.431 296 P HA -0.205 nan 4.420 nan 0.000 0.216 296 P C 1.059 178.395 177.300 0.059 0.000 1.154 296 P CA 1.513 64.627 63.100 0.023 0.000 0.865 296 P CB 0.011 31.726 31.700 0.024 0.000 0.789 297 H N -0.316 118.751 119.070 -0.006 0.000 2.319 297 H HA -0.151 4.405 4.556 0.000 0.000 0.299 297 H C 1.714 177.046 175.328 0.007 0.000 1.092 297 H CA 1.548 57.596 56.048 0.000 0.000 1.302 297 H CB -1.049 28.714 29.762 0.001 0.000 1.373 297 H HN -0.056 nan 8.280 nan 0.000 0.497 298 L N 0.449 121.527 121.223 -0.240 0.000 2.109 298 L HA 0.132 4.472 4.340 0.000 0.000 0.207 298 L C 2.478 179.270 176.870 -0.131 0.000 1.086 298 L CA 1.927 56.602 54.840 -0.276 0.000 0.760 298 L CB -1.558 40.431 42.059 -0.116 0.000 0.910 298 L HN 0.388 nan 8.230 nan 0.000 0.437 299 A N -0.009 122.773 122.820 -0.063 0.000 1.908 299 A HA -0.241 4.079 4.320 0.000 0.000 0.218 299 A C 2.332 179.896 177.584 -0.033 0.000 1.181 299 A CA 2.181 54.196 52.037 -0.037 0.000 0.627 299 A CB -1.113 17.867 19.000 -0.034 0.000 0.818 299 A HN 0.639 nan 8.150 nan 0.000 0.445 300 L N -1.181 120.026 121.223 -0.027 0.000 2.093 300 L HA -0.059 4.282 4.340 0.000 0.000 0.208 300 L C 2.422 179.287 176.870 -0.009 0.000 1.085 300 L CA 2.067 56.908 54.840 0.001 0.000 0.755 300 L CB -0.336 41.746 42.059 0.039 0.000 0.904 300 L HN 0.376 nan 8.230 nan 0.000 0.435 301 R N -0.021 120.436 120.500 -0.071 0.000 2.073 301 R HA -0.106 4.234 4.340 0.000 0.000 0.234 301 R C 2.281 178.551 176.300 -0.050 0.000 1.134 301 R CA 1.907 57.960 56.100 -0.078 0.000 0.952 301 R CB -0.316 29.866 30.300 -0.197 0.000 0.850 301 R HN 0.476 nan 8.270 nan 0.000 0.433 302 L N -0.024 121.162 121.223 -0.061 0.000 2.046 302 L HA -0.127 4.213 4.340 0.000 0.000 0.208 302 L C 2.669 179.544 176.870 0.008 0.000 1.077 302 L CA 1.395 56.209 54.840 -0.045 0.000 0.747 302 L CB -0.675 41.355 42.059 -0.048 0.000 0.896 302 L HN 0.329 nan 8.230 nan 0.000 0.432 303 A N -0.550 122.280 122.820 0.018 0.000 1.898 303 A HA -0.162 4.158 4.320 0.000 0.000 0.216 303 A C 2.379 180.050 177.584 0.144 0.000 1.181 303 A CA 1.724 53.801 52.037 0.066 0.000 0.620 303 A CB -0.795 18.232 19.000 0.044 0.000 0.819 303 A HN 0.210 nan 8.150 nan 0.000 0.442 304 V N 0.776 120.743 119.914 0.089 0.000 2.379 304 V HA -0.178 3.942 4.120 0.000 0.000 0.245 304 V C 2.839 178.990 176.094 0.094 0.000 1.044 304 V CA 2.823 65.176 62.300 0.088 0.000 1.036 304 V CB -0.432 31.425 31.823 0.056 0.000 0.664 304 V HN 0.785 nan 8.190 nan 0.000 0.453 305 S N 0.727 116.473 115.700 0.077 0.000 2.368 305 S HA -0.059 4.411 4.470 0.000 0.000 0.224 305 S C 2.159 176.834 174.600 0.124 0.000 1.029 305 S CA 1.266 59.512 58.200 0.078 0.000 0.988 305 S CB -0.727 62.492 63.200 0.030 0.000 0.838 305 S HN 0.782 nan 8.310 nan 0.000 0.462 306 A N 2.334 125.253 122.820 0.164 0.000 1.902 306 A HA 0.236 4.557 4.320 0.000 0.000 0.217 306 A C 2.542 180.324 177.584 0.331 0.000 1.181 306 A CA 1.864 54.071 52.037 0.282 0.000 0.623 306 A CB -1.507 17.689 19.000 0.327 0.000 0.818 306 A HN 0.877 nan 8.150 nan 0.000 0.443 307 A N -1.076 121.922 122.820 0.296 0.000 1.972 307 A HA -0.153 4.168 4.320 0.000 0.000 0.219 307 A C 2.285 179.841 177.584 -0.046 0.000 1.169 307 A CA 1.658 53.707 52.037 0.019 0.000 0.635 307 A CB -1.209 17.787 19.000 -0.007 0.000 0.810 307 A HN 0.612 nan 8.150 nan 0.000 0.446 308 C N -1.088 118.238 119.300 0.043 0.000 2.432 308 C HA 0.032 4.492 4.460 0.000 0.000 0.277 308 C C 3.025 178.017 174.990 0.002 0.000 1.249 308 C CA 0.485 59.533 59.018 0.049 0.000 1.725 308 C CB -1.632 26.192 27.740 0.141 0.000 2.028 308 C HN 0.694 nan 8.230 nan 0.000 0.477 309 G N 0.498 109.334 108.800 0.060 0.000 2.553 309 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 309 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 309 G C 1.501 176.401 174.900 -0.000 0.000 1.195 309 G CA 1.270 46.398 45.100 0.048 0.000 0.779 309 G HN 0.433 nan 8.290 nan 0.000 0.577 310 L N 1.342 122.529 121.223 -0.059 0.000 2.046 310 L HA 0.142 4.482 4.340 0.000 0.000 0.208 310 L C 3.171 179.824 176.870 -0.361 0.000 1.077 310 L CA 2.067 56.746 54.840 -0.267 0.000 0.747 310 L CB -0.744 40.997 42.059 -0.529 0.000 0.896 310 L HN 0.277 nan 8.230 nan 0.000 0.432 311 A N -1.578 121.081 122.820 -0.268 0.000 1.908 311 A HA -0.306 4.014 4.320 0.000 0.000 0.218 311 A C 2.410 179.950 177.584 -0.073 0.000 1.181 311 A CA 1.866 53.798 52.037 -0.175 0.000 0.627 311 A CB -1.091 17.841 19.000 -0.113 0.000 0.818 311 A HN 0.706 nan 8.150 nan 0.000 0.445 312 H N -0.196 118.762 119.070 -0.188 0.000 2.353 312 H HA -0.052 4.504 4.556 0.000 0.000 0.300 312 H C 1.961 177.226 175.328 -0.105 0.000 1.090 312 H CA 1.696 57.620 56.048 -0.207 0.000 1.327 312 H CB -0.121 29.340 29.762 -0.501 0.000 1.383 312 H HN 0.424 nan 8.280 nan 0.000 0.508 313 L N -0.194 120.981 121.223 -0.079 0.000 2.017 313 L HA -0.225 4.115 4.340 0.000 0.000 0.208 313 L C 2.681 179.586 176.870 0.059 0.000 1.073 313 L CA 1.504 56.332 54.840 -0.021 0.000 0.745 313 L CB -0.677 41.456 42.059 0.123 0.000 0.894 313 L HN 0.459 nan 8.230 nan 0.000 0.432 314 H N -1.716 117.303 119.070 -0.086 0.000 2.389 314 H HA -0.022 4.535 4.556 0.000 0.000 0.299 314 H C 0.744 176.037 175.328 -0.059 0.000 1.081 314 H CA 0.196 56.213 56.048 -0.051 0.000 1.345 314 H CB 0.371 30.077 29.762 -0.093 0.000 1.393 314 H HN 0.041 nan 8.280 nan 0.000 0.520 315 V N 2.320 122.245 119.914 0.019 0.000 2.488 315 V HA 0.010 4.131 4.120 0.000 0.000 0.277 315 V C 0.094 176.113 176.094 -0.124 0.000 1.046 315 V CA -0.248 62.031 62.300 -0.035 0.000 0.986 315 V CB 1.282 33.095 31.823 -0.016 0.000 0.989 315 V HN 0.275 nan 8.190 nan 0.000 0.475 316 E N 5.725 125.826 120.200 -0.165 0.000 2.338 316 E HA 0.335 4.685 4.350 0.000 0.000 0.272 316 E C -0.886 175.522 176.600 -0.319 0.000 1.029 316 E CA -0.329 55.882 56.400 -0.315 0.000 0.872 316 E CB 0.814 30.235 29.700 -0.465 0.000 1.015 316 E HN 0.664 nan 8.360 nan 0.000 0.417 317 I N 4.334 124.716 120.570 -0.313 0.000 2.433 317 I HA 0.296 4.466 4.170 0.000 0.000 0.292 317 I C -0.356 175.636 176.117 -0.207 0.000 1.001 317 I CA -0.751 60.469 61.300 -0.134 0.000 1.119 317 I CB 0.991 38.977 38.000 -0.023 0.000 1.289 317 I HN 0.412 nan 8.210 nan 0.000 0.438 318 F N 2.552 122.498 119.950 -0.007 0.000 2.375 318 F HA 0.756 5.284 4.527 0.000 0.000 0.317 318 F C 1.257 177.056 175.800 -0.003 0.000 1.124 318 F CA 0.154 58.149 58.000 -0.007 0.000 1.050 318 F CB 0.843 39.840 39.000 -0.004 0.000 1.314 318 F HN 0.698 nan 8.300 nan 0.000 0.511 319 G N 0.489 109.410 108.800 0.202 0.000 2.693 319 G HA2 -0.231 3.729 3.960 0.000 0.000 0.226 319 G HA3 -0.231 3.729 3.960 0.000 0.000 0.226 319 G C 0.459 175.392 174.900 0.055 0.000 1.354 319 G CA -0.251 44.913 45.100 0.107 0.000 0.873 319 G HN 0.709 nan 8.290 nan 0.000 0.562 320 T N 0.521 115.100 114.554 0.041 0.000 2.643 320 T HA -0.080 4.270 4.350 0.000 0.000 0.264 320 T C 2.011 176.722 174.700 0.017 0.000 1.045 320 T CA 2.272 64.386 62.100 0.024 0.000 1.155 320 T CB -0.229 68.653 68.868 0.023 0.000 0.863 320 T HN 0.560 nan 8.240 nan 0.000 0.420 321 Q N 0.619 120.435 119.800 0.027 0.000 2.201 321 Q HA 0.330 4.670 4.340 0.000 0.000 0.217 321 Q C 1.186 177.204 176.000 0.030 0.000 0.860 321 Q CA -0.528 55.292 55.803 0.027 0.000 0.984 321 Q CB 0.578 29.337 28.738 0.035 0.000 1.095 321 Q HN 0.451 nan 8.270 nan 0.000 0.477 322 G N 1.324 110.137 108.800 0.021 0.000 2.580 322 G HA2 0.517 4.477 3.960 0.000 0.000 0.225 322 G HA3 0.517 4.477 3.960 0.000 0.000 0.225 322 G C -0.369 174.505 174.900 -0.044 0.000 1.521 322 G CA 0.318 45.419 45.100 0.002 0.000 1.068 322 G HN 0.285 nan 8.290 nan 0.000 0.564 323 K N -0.400 119.933 120.400 -0.111 0.000 2.598 323 K HA 0.656 4.977 4.320 0.000 0.000 0.271 323 K C -3.184 173.284 176.600 -0.219 0.000 0.947 323 K CA -0.983 55.216 56.287 -0.147 0.000 0.854 323 K CB 1.149 33.561 32.500 -0.146 0.000 1.401 323 K HN 0.569 nan 8.250 nan 0.000 0.415 324 P HA 0.534 nan 4.420 nan 0.000 0.276 324 P C -0.195 176.957 177.300 -0.248 0.000 1.261 324 P CA -0.135 62.819 63.100 -0.243 0.000 0.800 324 P CB 1.088 32.657 31.700 -0.219 0.000 1.066 325 A N 1.468 124.117 122.820 -0.285 0.000 2.450 325 A HA 0.452 4.773 4.320 0.000 0.000 0.255 325 A C 0.183 177.696 177.584 -0.119 0.000 1.096 325 A CA -0.144 51.762 52.037 -0.219 0.000 0.778 325 A CB -0.827 17.984 19.000 -0.316 0.000 1.031 325 A HN 0.432 nan 8.150 nan 0.000 0.494 326 I N 1.584 122.202 120.570 0.080 0.000 2.498 326 I HA 0.551 4.721 4.170 0.000 0.000 0.290 326 I C 0.333 176.567 176.117 0.194 0.000 1.032 326 I CA -0.347 61.025 61.300 0.120 0.000 1.073 326 I CB 2.159 40.151 38.000 -0.013 0.000 1.251 326 I HN 0.678 nan 8.210 nan 0.000 0.426 327 A N 4.232 127.138 122.820 0.143 0.000 2.317 327 A HA 0.398 4.718 4.320 0.000 0.000 0.327 327 A C 0.479 178.115 177.584 0.086 0.000 1.178 327 A CA -0.430 51.604 52.037 -0.005 0.000 0.817 327 A CB 0.653 19.478 19.000 -0.292 0.000 1.189 327 A HN 0.900 nan 8.150 nan 0.000 0.489 328 H N 2.173 121.314 119.070 0.117 0.000 2.284 328 H HA -0.051 4.505 4.556 0.000 0.000 0.304 328 H C 1.933 177.320 175.328 0.099 0.000 1.069 328 H CA 3.141 59.267 56.048 0.131 0.000 1.327 328 H CB 0.294 30.207 29.762 0.252 0.000 1.387 328 H HN 1.301 nan 8.280 nan 0.000 0.498 329 R N 0.200 120.900 120.500 0.333 0.000 3.728 329 R HA -0.176 4.165 4.340 0.000 0.000 0.478 329 R C 0.451 176.938 176.300 0.311 0.000 0.932 329 R CA 1.733 57.983 56.100 0.250 0.000 1.317 329 R CB -2.922 27.427 30.300 0.082 0.000 1.987 329 R HN 0.529 nan 8.270 nan 0.000 0.509 330 D N -1.765 118.944 120.400 0.516 0.000 3.078 330 D HA 0.341 4.982 4.640 0.000 0.000 0.363 330 D C -0.839 175.587 176.300 0.209 0.000 1.391 330 D CA -0.497 53.717 54.000 0.357 0.000 0.754 330 D CB -0.411 40.546 40.800 0.261 0.000 1.238 330 D HN 0.440 nan 8.370 nan 0.000 0.500 331 F N 2.676 122.618 119.950 -0.014 0.000 2.472 331 F HA 0.323 4.851 4.527 0.000 0.000 0.364 331 F C 0.394 176.054 175.800 -0.234 0.000 1.090 331 F CA 0.286 58.124 58.000 -0.269 0.000 1.188 331 F CB 0.196 39.136 39.000 -0.101 0.000 1.105 331 F HN -0.002 nan 8.300 nan 0.000 0.536 332 K N 1.758 121.659 120.400 -0.833 0.000 2.615 332 K HA 0.323 4.643 4.320 0.000 0.000 0.291 332 K C 0.050 176.268 176.600 -0.638 0.000 1.017 332 K CA -0.266 55.477 56.287 -0.908 0.000 0.882 332 K CB 1.100 32.829 32.500 -1.285 0.000 1.522 332 K HN 0.363 nan 8.250 nan 0.000 0.412 333 S N 0.273 115.810 115.700 -0.271 0.000 2.419 333 S HA -0.127 4.344 4.470 0.000 0.000 0.233 333 S C 1.617 176.162 174.600 -0.091 0.000 1.016 333 S CA 0.762 58.915 58.200 -0.080 0.000 0.974 333 S CB -0.427 62.898 63.200 0.209 0.000 0.786 333 S HN 0.615 nan 8.310 nan 0.000 0.492 334 R N 1.334 121.751 120.500 -0.139 0.000 2.235 334 R HA 0.181 4.521 4.340 0.000 0.000 0.213 334 R C 0.619 176.812 176.300 -0.178 0.000 1.059 334 R CA 0.780 56.791 56.100 -0.148 0.000 0.997 334 R CB -0.173 29.996 30.300 -0.219 0.000 0.884 334 R HN 0.360 nan 8.270 nan 0.000 0.462 335 N N -0.074 118.476 118.700 -0.250 0.000 2.279 335 N HA 0.085 4.825 4.740 0.000 0.000 0.226 335 N C -1.124 174.251 175.510 -0.225 0.000 1.126 335 N CA 0.218 53.142 53.050 -0.210 0.000 0.846 335 N CB 1.300 39.671 38.487 -0.193 0.000 1.050 335 N HN -0.123 nan 8.380 nan 0.000 0.502 336 V N 1.575 121.355 119.914 -0.223 0.000 2.483 336 V HA 0.420 4.540 4.120 0.000 0.000 0.297 336 V C 0.028 176.064 176.094 -0.097 0.000 1.027 336 V CA -0.759 61.443 62.300 -0.162 0.000 0.855 336 V CB 2.261 33.957 31.823 -0.211 0.000 0.995 336 V HN -0.017 nan 8.190 nan 0.000 0.424 337 L N 4.388 125.565 121.223 -0.076 0.000 2.375 337 L HA 0.638 4.978 4.340 0.000 0.000 0.268 337 L C -0.368 176.391 176.870 -0.184 0.000 1.058 337 L CA -0.706 54.077 54.840 -0.096 0.000 0.803 337 L CB 1.873 43.906 42.059 -0.043 0.000 1.212 337 L HN 0.355 nan 8.230 nan 0.000 0.451 338 V N 1.932 121.719 119.914 -0.211 0.000 2.370 338 V HA 0.318 4.438 4.120 0.000 0.000 0.283 338 V C 0.078 176.000 176.094 -0.287 0.000 1.023 338 V CA -0.902 61.215 62.300 -0.306 0.000 0.857 338 V CB 1.307 32.812 31.823 -0.529 0.000 0.985 338 V HN 0.643 nan 8.190 nan 0.000 0.443 339 K N 2.264 122.459 120.400 -0.341 0.000 2.117 339 K HA 0.348 4.668 4.320 0.000 0.000 0.240 339 K C 1.336 177.855 176.600 -0.136 0.000 1.031 339 K CA -0.329 55.777 56.287 -0.302 0.000 0.909 339 K CB 0.517 32.836 32.500 -0.300 0.000 1.097 339 K HN 0.573 nan 8.250 nan 0.000 0.492 340 S N 1.225 116.862 115.700 -0.105 0.000 2.374 340 S HA -0.173 4.297 4.470 0.000 0.000 0.227 340 S C 1.148 175.734 174.600 -0.023 0.000 1.037 340 S CA 1.941 60.085 58.200 -0.093 0.000 1.024 340 S CB -0.478 62.685 63.200 -0.062 0.000 0.861 340 S HN 0.686 nan 8.310 nan 0.000 0.456 341 N N 1.563 120.240 118.700 -0.038 0.000 2.421 341 N HA 0.247 4.987 4.740 0.000 0.000 0.201 341 N C 0.707 176.186 175.510 -0.051 0.000 1.198 341 N CA 0.681 53.715 53.050 -0.027 0.000 0.838 341 N CB -0.972 37.500 38.487 -0.026 0.000 1.011 341 N HN 0.377 nan 8.380 nan 0.000 0.463 342 L N -2.163 119.013 121.223 -0.078 0.000 3.737 342 L HA -0.294 4.046 4.340 0.000 0.000 0.418 342 L C 0.004 176.774 176.870 -0.168 0.000 1.216 342 L CA 1.736 56.476 54.840 -0.165 0.000 0.915 342 L CB -3.156 38.830 42.059 -0.122 0.000 1.834 342 L HN 0.572 nan 8.230 nan 0.000 0.943 343 Q N -0.956 118.755 119.800 -0.147 0.000 2.301 343 Q HA 0.738 5.078 4.340 0.000 0.000 0.267 343 Q C 0.141 176.050 176.000 -0.151 0.000 1.035 343 Q CA -0.210 55.522 55.803 -0.119 0.000 0.856 343 Q CB 2.374 31.068 28.738 -0.074 0.000 1.337 343 Q HN 0.725 nan 8.270 nan 0.000 0.450 344 C N 1.064 120.304 119.300 -0.100 0.000 2.443 344 C HA 0.708 5.168 4.460 0.000 0.000 0.369 344 C C 0.293 175.251 174.990 -0.053 0.000 1.241 344 C CA -0.811 58.151 59.018 -0.092 0.000 2.413 344 C CB -0.317 27.409 27.740 -0.024 0.000 2.451 344 C HN 0.944 nan 8.230 nan 0.000 0.595 345 C N 1.673 120.937 119.300 -0.061 0.000 2.686 345 C HA 0.716 5.176 4.460 0.000 0.000 0.318 345 C C -0.677 174.353 174.990 0.068 0.000 1.160 345 C CA -0.923 58.113 59.018 0.031 0.000 1.396 345 C CB -0.691 27.067 27.740 0.029 0.000 1.924 345 C HN 0.824 nan 8.230 nan 0.000 0.471 346 I N 3.200 123.856 120.570 0.142 0.000 2.575 346 I HA 0.559 4.729 4.170 0.000 0.000 0.285 346 I C 0.868 177.101 176.117 0.194 0.000 1.085 346 I CA 0.407 61.805 61.300 0.164 0.000 1.403 346 I CB 1.076 39.236 38.000 0.267 0.000 1.409 346 I HN 1.039 nan 8.210 nan 0.000 0.557 347 A N 3.887 126.814 122.820 0.179 0.000 2.437 347 A HA 0.610 4.931 4.320 0.000 0.000 0.288 347 A C -0.519 177.224 177.584 0.265 0.000 1.201 347 A CA -0.400 51.761 52.037 0.208 0.000 0.795 347 A CB 1.157 20.235 19.000 0.131 0.000 1.359 347 A HN 0.767 nan 8.150 nan 0.000 0.435 348 D N -1.660 118.851 120.400 0.186 0.000 3.830 348 D HA -0.104 4.536 4.640 0.000 0.000 0.247 348 D C -0.650 175.609 176.300 -0.069 0.000 1.073 348 D CA 0.349 54.418 54.000 0.115 0.000 1.116 348 D CB -1.005 39.856 40.800 0.103 0.000 0.909 348 D HN 0.304 nan 8.370 nan 0.000 0.418 349 L N 1.932 123.084 121.223 -0.117 0.000 2.685 349 L HA 0.366 4.706 4.340 0.000 0.000 0.233 349 L C 2.491 179.232 176.870 -0.214 0.000 1.173 349 L CA 0.878 55.536 54.840 -0.302 0.000 0.961 349 L CB 0.198 42.025 42.059 -0.387 0.000 1.217 349 L HN 0.492 nan 8.230 nan 0.000 0.478 350 G N -0.687 108.066 108.800 -0.080 0.000 2.470 350 G HA2 -0.173 3.787 3.960 0.000 0.000 0.220 350 G HA3 -0.173 3.787 3.960 0.000 0.000 0.220 350 G C 1.333 176.215 174.900 -0.030 0.000 1.121 350 G CA 0.463 45.564 45.100 0.002 0.000 0.766 350 G HN 0.385 nan 8.290 nan 0.000 0.553 351 L N 0.335 121.512 121.223 -0.078 0.000 2.808 351 L HA 0.420 4.761 4.340 0.000 0.000 0.246 351 L C 1.493 178.287 176.870 -0.127 0.000 1.153 351 L CA -0.541 54.261 54.840 -0.064 0.000 0.956 351 L CB 0.303 42.359 42.059 -0.004 0.000 1.270 351 L HN 0.210 nan 8.230 nan 0.000 0.528 352 A N 0.889 123.600 122.820 -0.182 0.000 2.466 352 A HA 0.374 4.694 4.320 0.000 0.000 0.238 352 A C -0.065 177.418 177.584 -0.169 0.000 1.074 352 A CA 0.037 51.965 52.037 -0.182 0.000 0.774 352 A CB 0.330 19.203 19.000 -0.211 0.000 1.015 352 A HN 0.111 nan 8.150 nan 0.000 0.498 353 V N 0.181 120.006 119.914 -0.148 0.000 2.735 353 V HA 0.823 4.943 4.120 0.000 0.000 0.310 353 V C -0.364 175.731 176.094 0.002 0.000 1.061 353 V CA -0.893 61.320 62.300 -0.144 0.000 0.913 353 V CB 1.516 33.159 31.823 -0.300 0.000 1.005 353 V HN 0.880 nan 8.190 nan 0.000 0.428 354 M N 4.171 123.697 119.600 -0.123 0.000 2.662 354 M HA 0.643 5.123 4.480 0.000 0.000 0.310 354 M C -1.267 174.786 176.300 -0.412 0.000 1.204 354 M CA -0.508 54.660 55.300 -0.220 0.000 0.891 354 M CB 2.396 34.860 32.600 -0.226 0.000 1.732 354 M HN 1.022 nan 8.290 nan 0.000 0.467 355 H N 0.672 119.312 119.070 -0.715 0.000 3.083 355 H HA 0.464 5.020 4.556 0.000 0.000 0.339 355 H C -2.004 172.996 175.328 -0.546 0.000 1.020 355 H CA -0.294 55.282 56.048 -0.788 0.000 1.360 355 H CB 1.731 30.591 29.762 -1.503 0.000 1.811 355 H HN 0.643 nan 8.280 nan 0.000 0.493 356 S N 3.373 118.902 115.700 -0.284 0.000 2.525 356 S HA 0.083 4.553 4.470 0.000 0.000 0.290 356 S C 1.340 175.888 174.600 -0.086 0.000 1.152 356 S CA -0.551 57.559 58.200 -0.150 0.000 1.072 356 S CB 2.057 65.165 63.200 -0.153 0.000 1.027 356 S HN 0.799 nan 8.310 nan 0.000 0.500 357 Q N 2.729 122.522 119.800 -0.012 0.000 2.167 357 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 357 Q C 2.038 178.075 176.000 0.062 0.000 0.970 357 Q CA 1.649 57.509 55.803 0.095 0.000 0.855 357 Q CB -0.729 28.119 28.738 0.182 0.000 0.911 357 Q HN 1.009 nan 8.270 nan 0.000 0.438 358 G N 0.144 108.956 108.800 0.020 0.000 2.759 358 G HA2 -0.332 3.629 3.960 0.000 0.000 0.224 358 G HA3 -0.332 3.629 3.960 0.000 0.000 0.224 358 G C 0.619 175.525 174.900 0.010 0.000 1.173 358 G CA 1.341 46.459 45.100 0.029 0.000 0.770 358 G HN 0.657 nan 8.290 nan 0.000 0.626 359 S N 0.354 116.036 115.700 -0.030 0.000 2.357 359 S HA 0.479 4.950 4.470 0.000 0.000 0.209 359 S C -0.962 173.598 174.600 -0.067 0.000 0.981 359 S CA -0.487 57.690 58.200 -0.037 0.000 1.106 359 S CB 0.591 63.766 63.200 -0.042 0.000 1.266 359 S HN 0.135 nan 8.310 nan 0.000 0.410 360 D N 2.814 123.161 120.400 -0.089 0.000 2.531 360 D HA 0.429 5.070 4.640 0.000 0.000 0.239 360 D C 0.291 176.567 176.300 -0.039 0.000 1.144 360 D CA 0.974 54.854 54.000 -0.200 0.000 0.869 360 D CB -0.202 40.529 40.800 -0.115 0.000 1.160 360 D HN 0.764 nan 8.370 nan 0.000 0.484 361 Y N -0.373 119.721 120.300 -0.343 0.000 3.059 361 Y HA 0.636 5.187 4.550 0.000 0.000 0.301 361 Y C -1.775 173.987 175.900 -0.230 0.000 1.677 361 Y CA -1.660 56.312 58.100 -0.214 0.000 1.079 361 Y CB 0.818 39.200 38.460 -0.130 0.000 1.534 361 Y HN 0.192 nan 8.280 nan 0.000 0.473 362 L N 2.815 123.746 121.223 -0.486 0.000 2.319 362 L HA 0.384 4.725 4.340 0.000 0.000 0.281 362 L C -1.205 175.035 176.870 -1.049 0.000 1.005 362 L CA -0.313 54.184 54.840 -0.572 0.000 0.828 362 L CB 1.119 43.113 42.059 -0.109 0.000 1.227 362 L HN 0.671 nan 8.230 nan 0.000 0.415 363 D N 5.174 124.933 120.400 -1.069 0.000 2.295 363 D HA 0.542 5.182 4.640 0.000 0.000 0.248 363 D C -0.658 175.465 176.300 -0.296 0.000 1.154 363 D CA 0.115 53.732 54.000 -0.639 0.000 0.857 363 D CB 1.152 41.680 40.800 -0.454 0.000 1.117 363 D HN 0.502 nan 8.370 nan 0.000 0.468 364 I N 1.757 122.231 120.570 -0.160 0.000 2.586 364 I HA 0.691 4.861 4.170 0.000 0.000 0.288 364 I C 0.875 176.969 176.117 -0.040 0.000 1.147 364 I CA -0.567 60.665 61.300 -0.112 0.000 1.047 364 I CB 1.289 39.228 38.000 -0.101 0.000 1.244 364 I HN 0.523 nan 8.210 nan 0.000 0.429 365 G N 2.012 110.792 108.800 -0.033 0.000 2.712 365 G HA2 0.453 4.413 3.960 0.000 0.000 0.258 365 G HA3 0.453 4.413 3.960 0.000 0.000 0.258 365 G C 0.697 175.613 174.900 0.028 0.000 1.241 365 G CA 0.546 45.659 45.100 0.023 0.000 0.923 365 G HN 2.038 nan 8.290 nan 0.000 0.548 366 N N -0.446 118.284 118.700 0.049 0.000 2.235 366 N HA 0.085 4.825 4.740 0.000 0.000 0.209 366 N C 0.823 176.356 175.510 0.038 0.000 1.122 366 N CA -0.240 52.831 53.050 0.036 0.000 0.845 366 N CB -0.009 38.494 38.487 0.027 0.000 1.004 366 N HN 0.489 nan 8.380 nan 0.000 0.499 367 N N 1.675 120.403 118.700 0.048 0.000 2.447 367 N HA 0.076 4.816 4.740 0.000 0.000 0.263 367 N C -1.522 174.018 175.510 0.051 0.000 1.226 367 N CA -1.370 51.715 53.050 0.058 0.000 0.906 367 N CB 1.591 40.120 38.487 0.069 0.000 1.060 367 N HN 0.182 nan 8.380 nan 0.000 0.468 368 P HA -0.012 nan 4.420 nan 0.000 0.225 368 P C 0.283 177.617 177.300 0.057 0.000 1.156 368 P CA 0.372 63.499 63.100 0.045 0.000 0.787 368 P CB 0.278 32.001 31.700 0.039 0.000 0.802 369 R N 1.122 121.667 120.500 0.075 0.000 2.698 369 R HA 0.205 4.545 4.340 0.000 0.000 0.266 369 R C -0.159 176.196 176.300 0.092 0.000 1.026 369 R CA 0.081 56.235 56.100 0.091 0.000 1.102 369 R CB 0.268 30.635 30.300 0.113 0.000 0.978 369 R HN -0.051 nan 8.270 nan 0.000 0.436 370 V N 1.055 121.033 119.914 0.107 0.000 3.158 370 V HA 0.699 4.819 4.120 0.000 0.000 0.315 370 V C 0.608 176.791 176.094 0.149 0.000 1.148 370 V CA -0.696 61.681 62.300 0.127 0.000 1.042 370 V CB 1.229 33.135 31.823 0.138 0.000 1.101 370 V HN 0.897 nan 8.190 nan 0.000 0.448 371 G N 0.396 109.299 108.800 0.171 0.000 2.630 371 G HA2 0.361 4.321 3.960 0.000 0.000 0.236 371 G HA3 0.361 4.321 3.960 0.000 0.000 0.236 371 G C 0.174 175.189 174.900 0.192 0.000 1.248 371 G CA 0.138 45.351 45.100 0.188 0.000 0.844 371 G HN 0.995 nan 8.290 nan 0.000 0.588 372 T N 1.481 116.149 114.554 0.190 0.000 2.867 372 T HA 0.042 4.392 4.350 0.000 0.000 0.297 372 T C 1.633 176.480 174.700 0.244 0.000 0.989 372 T CA 0.137 62.359 62.100 0.203 0.000 1.159 372 T CB 1.063 70.045 68.868 0.190 0.000 0.928 372 T HN 0.561 nan 8.240 nan 0.000 0.538 373 K N 2.107 122.625 120.400 0.197 0.000 2.152 373 K HA -0.135 4.185 4.320 0.000 0.000 0.206 373 K C 2.421 179.088 176.600 0.113 0.000 1.048 373 K CA 1.046 57.415 56.287 0.136 0.000 0.933 373 K CB -0.013 32.550 32.500 0.105 0.000 0.721 373 K HN 0.396 nan 8.250 nan 0.000 0.447 374 R N -0.331 120.287 120.500 0.197 0.000 2.152 374 R HA -0.144 4.196 4.340 0.000 0.000 0.232 374 R C 0.879 177.267 176.300 0.147 0.000 1.117 374 R CA 1.481 57.667 56.100 0.143 0.000 0.981 374 R CB 0.060 30.480 30.300 0.199 0.000 0.870 374 R HN 0.312 nan 8.270 nan 0.000 0.451 375 Y N -1.142 119.300 120.300 0.237 0.000 2.507 375 Y HA 0.227 4.777 4.550 0.000 0.000 0.254 375 Y C 0.210 176.344 175.900 0.389 0.000 1.171 375 Y CA -0.676 57.645 58.100 0.368 0.000 1.238 375 Y CB 0.490 39.147 38.460 0.328 0.000 1.148 375 Y HN -0.051 nan 8.280 nan 0.000 0.525 376 M N 1.141 120.922 119.600 0.301 0.000 2.238 376 M HA 0.259 4.740 4.480 0.000 0.000 0.350 376 M C 0.558 176.735 176.300 -0.204 0.000 1.321 376 M CA -0.033 55.324 55.300 0.094 0.000 1.097 376 M CB 0.508 33.099 32.600 -0.015 0.000 1.713 376 M HN 0.264 nan 8.290 nan 0.000 0.455 377 A N 6.058 128.608 122.820 -0.451 0.000 2.346 377 A HA 0.358 4.678 4.320 0.000 0.000 0.252 377 A C -1.848 175.248 177.584 -0.813 0.000 1.089 377 A CA -1.275 50.036 52.037 -1.209 0.000 0.797 377 A CB -0.457 18.135 19.000 -0.680 0.000 1.047 377 A HN 0.684 nan 8.150 nan 0.000 0.494 378 P HA -0.217 nan 4.420 nan 0.000 0.215 378 P C 1.270 178.390 177.300 -0.300 0.000 1.157 378 P CA 1.763 64.561 63.100 -0.503 0.000 0.874 378 P CB 0.003 31.459 31.700 -0.406 0.000 0.790 379 E N -0.182 119.867 120.200 -0.252 0.000 2.265 379 E HA -0.093 4.257 4.350 0.000 0.000 0.196 379 E C 1.725 178.270 176.600 -0.092 0.000 0.996 379 E CA 1.160 57.480 56.400 -0.134 0.000 0.832 379 E CB -1.224 28.422 29.700 -0.090 0.000 0.756 379 E HN 0.125 nan 8.360 nan 0.000 0.491 380 V N 1.330 121.176 119.914 -0.112 0.000 2.535 380 V HA -0.126 3.994 4.120 0.000 0.000 0.246 380 V C 2.530 178.629 176.094 0.008 0.000 1.045 380 V CA 0.965 63.252 62.300 -0.021 0.000 1.058 380 V CB -0.391 31.436 31.823 0.007 0.000 0.689 380 V HN 0.159 nan 8.190 nan 0.000 0.461 381 L N -0.390 120.749 121.223 -0.141 0.000 2.156 381 L HA -0.093 4.248 4.340 0.000 0.000 0.208 381 L C 2.182 179.008 176.870 -0.074 0.000 1.095 381 L CA 1.193 55.877 54.840 -0.261 0.000 0.770 381 L CB -0.503 41.289 42.059 -0.445 0.000 0.914 381 L HN 0.289 nan 8.230 nan 0.000 0.439 382 D N 0.358 120.717 120.400 -0.069 0.000 2.269 382 D HA -0.130 4.511 4.640 0.000 0.000 0.208 382 D C 0.660 176.983 176.300 0.038 0.000 0.963 382 D CA 0.503 54.491 54.000 -0.020 0.000 0.864 382 D CB 0.147 40.916 40.800 -0.052 0.000 0.936 382 D HN 0.273 nan 8.370 nan 0.000 0.505 383 E N -0.689 119.548 120.200 0.062 0.000 2.791 383 E HA -0.268 4.082 4.350 0.000 0.000 0.271 383 E C 0.948 177.562 176.600 0.024 0.000 1.044 383 E CA 0.584 57.023 56.400 0.065 0.000 0.814 383 E CB -1.347 28.403 29.700 0.082 0.000 1.400 383 E HN 0.527 nan 8.360 nan 0.000 0.423 384 Q N 0.426 120.227 119.800 0.001 0.000 2.319 384 Q HA 0.178 4.518 4.340 0.000 0.000 0.202 384 Q C 0.840 176.830 176.000 -0.017 0.000 0.896 384 Q CA -0.152 55.645 55.803 -0.010 0.000 0.942 384 Q CB 0.378 29.103 28.738 -0.021 0.000 1.083 384 Q HN 0.554 nan 8.270 nan 0.000 0.510 385 I N 2.165 122.720 120.570 -0.025 0.000 2.692 385 I HA 0.147 4.318 4.170 0.000 0.000 0.284 385 I C 0.045 176.127 176.117 -0.058 0.000 1.159 385 I CA 0.086 61.355 61.300 -0.052 0.000 1.423 385 I CB 0.679 38.630 38.000 -0.082 0.000 1.380 385 I HN 0.301 nan 8.210 nan 0.000 0.580 386 R N 4.396 124.853 120.500 -0.072 0.000 2.272 386 R HA 0.212 4.552 4.340 0.000 0.000 0.334 386 R C 0.919 177.143 176.300 -0.126 0.000 1.117 386 R CA 0.061 56.125 56.100 -0.059 0.000 0.966 386 R CB -1.014 29.273 30.300 -0.020 0.000 1.049 386 R HN 0.844 nan 8.270 nan 0.000 0.477 387 T N -1.988 112.532 114.554 -0.057 0.000 3.113 387 T HA -0.109 4.241 4.350 0.000 0.000 0.263 387 T C 0.466 175.239 174.700 0.122 0.000 1.143 387 T CA 1.014 63.124 62.100 0.016 0.000 1.090 387 T CB -0.017 68.925 68.868 0.123 0.000 0.922 387 T HN 0.711 nan 8.240 nan 0.000 0.521 388 D N -0.320 120.121 120.400 0.068 0.000 2.463 388 D HA 0.252 4.892 4.640 0.000 0.000 0.224 388 D C -0.206 176.151 176.300 0.095 0.000 1.174 388 D CA -0.797 53.264 54.000 0.102 0.000 0.829 388 D CB -0.762 40.085 40.800 0.077 0.000 0.993 388 D HN 0.372 nan 8.370 nan 0.000 0.497 389 C N 0.348 119.678 119.300 0.050 0.000 2.364 389 C HA 0.474 4.934 4.460 0.000 0.000 0.324 389 C C 1.046 176.058 174.990 0.035 0.000 1.234 389 C CA -1.004 58.038 59.018 0.040 0.000 1.417 389 C CB -0.737 26.995 27.740 -0.014 0.000 2.101 389 C HN 0.372 nan 8.230 nan 0.000 0.466 390 F N 3.826 123.771 119.950 -0.008 0.000 2.146 390 F HA 0.078 4.605 4.527 0.000 0.000 0.298 390 F C 2.026 177.686 175.800 -0.234 0.000 1.096 390 F CA 2.686 60.684 58.000 -0.003 0.000 1.275 390 F CB -0.319 38.671 39.000 -0.016 0.000 1.008 390 F HN 0.782 nan 8.300 nan 0.000 0.480 391 E N 0.082 120.011 120.200 -0.453 0.000 2.085 391 E HA -0.211 4.139 4.350 0.000 0.000 0.194 391 E C 2.186 178.053 176.600 -1.221 0.000 0.994 391 E CA 1.699 57.508 56.400 -0.985 0.000 0.801 391 E CB -1.397 27.725 29.700 -0.963 0.000 0.743 391 E HN 0.532 nan 8.360 nan 0.000 0.453 392 S N -0.006 115.307 115.700 -0.644 0.000 2.372 392 S HA -0.185 4.285 4.470 0.000 0.000 0.227 392 S C 2.018 176.427 174.600 -0.318 0.000 1.044 392 S CA 1.636 59.674 58.200 -0.271 0.000 1.050 392 S CB -0.562 62.453 63.200 -0.309 0.000 0.901 392 S HN 0.712 nan 8.310 nan 0.000 0.447 393 Y N 1.658 121.758 120.300 -0.333 0.000 2.224 393 Y HA -0.016 4.534 4.550 0.000 0.000 0.289 393 Y C 2.333 178.020 175.900 -0.356 0.000 1.146 393 Y CA 0.626 58.554 58.100 -0.286 0.000 1.182 393 Y CB -0.360 37.906 38.460 -0.323 0.000 0.983 393 Y HN 0.165 nan 8.280 nan 0.000 0.524 394 K N -1.007 119.052 120.400 -0.569 0.000 2.057 394 K HA -0.204 4.116 4.320 0.000 0.000 0.207 394 K C 1.772 178.302 176.600 -0.117 0.000 1.049 394 K CA 1.407 57.328 56.287 -0.610 0.000 0.931 394 K CB -0.368 31.528 32.500 -1.006 0.000 0.714 394 K HN 0.351 nan 8.250 nan 0.000 0.440 395 W N 1.000 122.266 121.300 -0.057 0.000 2.465 395 W HA -0.090 4.570 4.660 0.000 0.000 0.268 395 W C 2.325 178.924 176.519 0.134 0.000 1.242 395 W CA 1.554 58.925 57.345 0.044 0.000 1.248 395 W CB -1.077 28.390 29.460 0.011 0.000 1.118 395 W HN 0.256 nan 8.180 nan 0.000 0.587 396 T N -3.013 111.721 114.554 0.301 0.000 2.978 396 T HA -0.103 4.248 4.350 0.000 0.000 0.262 396 T C 1.326 176.254 174.700 0.380 0.000 1.063 396 T CA 1.307 63.592 62.100 0.308 0.000 1.140 396 T CB -0.268 68.733 68.868 0.221 0.000 0.886 396 T HN -0.200 nan 8.240 nan 0.000 0.470 397 D N 1.579 122.164 120.400 0.309 0.000 2.104 397 D HA -0.041 4.600 4.640 0.000 0.000 0.194 397 D C 2.106 178.554 176.300 0.247 0.000 0.994 397 D CA 0.772 54.941 54.000 0.283 0.000 0.830 397 D CB -0.223 40.746 40.800 0.281 0.000 0.959 397 D HN 0.316 nan 8.370 nan 0.000 0.452 398 I N 0.396 121.128 120.570 0.270 0.000 2.142 398 I HA -0.234 3.936 4.170 0.000 0.000 0.240 398 I C 2.432 178.767 176.117 0.365 0.000 1.078 398 I CA 0.788 62.222 61.300 0.224 0.000 1.343 398 I CB -1.287 36.852 38.000 0.232 0.000 1.046 398 I HN 0.318 nan 8.210 nan 0.000 0.405 399 W N 2.595 124.071 121.300 0.293 0.000 2.289 399 W HA -0.366 4.294 4.660 0.000 0.000 0.331 399 W C 2.614 179.434 176.519 0.502 0.000 1.283 399 W CA 3.012 60.603 57.345 0.411 0.000 1.252 399 W CB -0.517 29.154 29.460 0.351 0.000 1.153 399 W HN 0.193 nan 8.180 nan 0.000 0.467 400 A N 0.048 123.303 122.820 0.725 0.000 1.948 400 A HA -0.271 4.049 4.320 0.000 0.000 0.220 400 A C 1.959 179.925 177.584 0.637 0.000 1.177 400 A CA 1.875 54.350 52.037 0.729 0.000 0.636 400 A CB -1.604 17.855 19.000 0.767 0.000 0.815 400 A HN 0.479 nan 8.150 nan 0.000 0.449 401 F N 0.938 121.057 119.950 0.281 0.000 2.102 401 F HA -0.028 4.500 4.527 0.000 0.000 0.298 401 F C 2.375 178.266 175.800 0.151 0.000 1.105 401 F CA 1.596 59.668 58.000 0.120 0.000 1.239 401 F CB -0.685 38.168 39.000 -0.246 0.000 0.991 401 F HN 0.231 nan 8.300 nan 0.000 0.474 402 G N 1.018 109.944 108.800 0.211 0.000 2.476 402 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 402 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 402 G C 1.734 176.808 174.900 0.290 0.000 1.164 402 G CA 1.305 46.339 45.100 -0.111 0.000 0.768 402 G HN 0.430 nan 8.290 nan 0.000 0.560 403 L N 0.167 121.666 121.223 0.460 0.000 2.083 403 L HA -0.085 4.255 4.340 0.000 0.000 0.209 403 L C 3.000 180.073 176.870 0.337 0.000 1.083 403 L CA 0.606 55.634 54.840 0.313 0.000 0.752 403 L CB -0.667 41.402 42.059 0.017 0.000 0.899 403 L HN 0.114 nan 8.230 nan 0.000 0.433 404 V N 0.194 120.294 119.914 0.310 0.000 2.427 404 V HA -0.266 3.854 4.120 0.000 0.000 0.248 404 V C 2.492 178.622 176.094 0.060 0.000 1.051 404 V CA 1.375 63.801 62.300 0.211 0.000 1.048 404 V CB -0.293 31.619 31.823 0.148 0.000 0.666 404 V HN 0.340 nan 8.190 nan 0.000 0.456 405 L N -1.538 119.644 121.223 -0.069 0.000 2.012 405 L HA -0.241 4.100 4.340 0.000 0.000 0.210 405 L C 2.328 179.236 176.870 0.063 0.000 1.073 405 L CA 2.376 57.170 54.840 -0.077 0.000 0.748 405 L CB -0.587 41.398 42.059 -0.123 0.000 0.891 405 L HN 0.527 nan 8.230 nan 0.000 0.431 406 W N 1.539 122.845 121.300 0.011 0.000 2.302 406 W HA -0.283 4.377 4.660 0.000 0.000 0.320 406 W C 2.481 178.989 176.519 -0.019 0.000 1.241 406 W CA 2.208 59.576 57.345 0.038 0.000 1.264 406 W CB -0.171 29.353 29.460 0.107 0.000 1.154 406 W HN 0.126 nan 8.180 nan 0.000 0.483 407 E N -0.194 120.135 120.200 0.215 0.000 2.097 407 E HA -0.275 4.075 4.350 0.000 0.000 0.196 407 E C 2.106 178.656 176.600 -0.084 0.000 1.000 407 E CA 1.953 58.375 56.400 0.035 0.000 0.804 407 E CB -0.555 29.317 29.700 0.287 0.000 0.740 407 E HN 0.414 nan 8.360 nan 0.000 0.454 408 I N 0.995 121.542 120.570 -0.037 0.000 2.202 408 I HA -0.252 3.918 4.170 0.000 0.000 0.242 408 I C 2.604 178.641 176.117 -0.134 0.000 1.091 408 I CA 0.930 62.197 61.300 -0.055 0.000 1.368 408 I CB -0.355 37.623 38.000 -0.037 0.000 1.058 408 I HN 0.080 nan 8.210 nan 0.000 0.410 409 A N 0.873 123.585 122.820 -0.179 0.000 1.883 409 A HA -0.269 4.051 4.320 0.000 0.000 0.217 409 A C 2.421 179.819 177.584 -0.310 0.000 1.186 409 A CA 1.943 53.854 52.037 -0.211 0.000 0.624 409 A CB -0.744 18.140 19.000 -0.193 0.000 0.822 409 A HN 0.374 nan 8.150 nan 0.000 0.444 410 R N -1.060 119.125 120.500 -0.525 0.000 2.139 410 R HA -0.136 4.204 4.340 0.000 0.000 0.243 410 R C 1.689 177.779 176.300 -0.349 0.000 1.145 410 R CA 1.757 57.509 56.100 -0.580 0.000 0.976 410 R CB -0.117 29.608 30.300 -0.958 0.000 0.866 410 R HN 0.282 nan 8.270 nan 0.000 0.449 411 R N 0.094 120.436 120.500 -0.262 0.000 2.426 411 R HA 0.150 4.491 4.340 0.000 0.000 0.263 411 R C -0.873 175.342 176.300 -0.142 0.000 0.961 411 R CA 0.219 56.213 56.100 -0.176 0.000 1.086 411 R CB 0.440 30.669 30.300 -0.118 0.000 1.186 411 R HN 0.045 nan 8.270 nan 0.000 0.537 412 T N 0.392 114.861 114.554 -0.143 0.000 2.867 412 T HA 0.414 4.765 4.350 0.000 0.000 0.282 412 T C 0.263 174.908 174.700 -0.092 0.000 1.000 412 T CA -0.536 61.502 62.100 -0.103 0.000 1.042 412 T CB 1.523 70.337 68.868 -0.090 0.000 0.973 412 T HN 0.018 nan 8.240 nan 0.000 0.465 413 I N 3.050 123.577 120.570 -0.071 0.000 2.496 413 I HA 0.420 4.590 4.170 0.000 0.000 0.285 413 I C 0.064 176.152 176.117 -0.049 0.000 1.080 413 I CA -0.300 60.964 61.300 -0.060 0.000 1.404 413 I CB 0.816 38.787 38.000 -0.048 0.000 1.403 413 I HN 0.257 nan 8.210 nan 0.000 0.539 414 V N 6.367 126.252 119.914 -0.049 0.000 2.808 414 V HA 0.384 4.504 4.120 0.000 0.000 0.308 414 V C -0.247 175.826 176.094 -0.034 0.000 1.099 414 V CA -0.658 61.619 62.300 -0.038 0.000 0.920 414 V CB 1.797 33.596 31.823 -0.041 0.000 1.014 414 V HN 0.892 nan 8.190 nan 0.000 0.425 415 N N 4.346 123.030 118.700 -0.027 0.000 2.708 415 N HA -0.207 4.533 4.740 0.000 0.000 0.251 415 N C 1.213 176.707 175.510 -0.026 0.000 1.017 415 N CA 2.133 55.169 53.050 -0.024 0.000 0.742 415 N CB -1.295 37.178 38.487 -0.022 0.000 0.943 415 N HN 2.088 nan 8.380 nan 0.000 0.539 416 G N -2.125 106.657 108.800 -0.029 0.000 2.212 416 G HA2 -0.332 3.629 3.960 0.000 0.000 0.266 416 G HA3 -0.332 3.629 3.960 0.000 0.000 0.266 416 G C 0.219 175.096 174.900 -0.039 0.000 0.978 416 G CA 0.724 45.806 45.100 -0.031 0.000 0.632 416 G HN 0.531 nan 8.290 nan 0.000 0.537 417 I N -0.878 119.666 120.570 -0.043 0.000 3.100 417 I HA 0.929 5.099 4.170 0.000 0.000 0.312 417 I C 0.214 176.292 176.117 -0.065 0.000 1.063 417 I CA -1.591 59.679 61.300 -0.051 0.000 1.031 417 I CB 1.164 39.137 38.000 -0.046 0.000 1.243 417 I HN 0.386 nan 8.210 nan 0.000 0.483 418 V N 1.174 121.042 119.914 -0.076 0.000 2.950 418 V HA 0.303 4.423 4.120 0.000 0.000 0.295 418 V C -0.593 175.437 176.094 -0.107 0.000 1.297 418 V CA -0.519 61.722 62.300 -0.098 0.000 0.962 418 V CB 2.286 34.048 31.823 -0.103 0.000 1.081 418 V HN 0.822 nan 8.190 nan 0.000 0.432 419 E N 3.478 123.596 120.200 -0.136 0.000 2.390 419 E HA 0.209 4.559 4.350 0.000 0.000 0.261 419 E C -0.497 176.010 176.600 -0.155 0.000 1.076 419 E CA -0.114 56.197 56.400 -0.149 0.000 0.905 419 E CB 0.709 30.290 29.700 -0.199 0.000 0.984 419 E HN 0.850 nan 8.360 nan 0.000 0.427 420 D N 1.343 121.659 120.400 -0.139 0.000 2.362 420 D HA -0.072 4.568 4.640 0.000 0.000 0.242 420 D C 0.202 176.408 176.300 -0.156 0.000 1.132 420 D CA -0.151 53.779 54.000 -0.117 0.000 0.907 420 D CB 0.418 41.167 40.800 -0.084 0.000 1.195 420 D HN 0.366 nan 8.370 nan 0.000 0.429 421 Y N 0.584 120.753 120.300 -0.217 0.000 2.610 421 Y HA 0.247 4.797 4.550 0.000 0.000 0.332 421 Y C 0.405 176.167 175.900 -0.230 0.000 1.201 421 Y CA 0.530 58.485 58.100 -0.241 0.000 1.465 421 Y CB 0.275 38.585 38.460 -0.251 0.000 1.283 421 Y HN 0.599 nan 8.280 nan 0.000 0.563 422 R N 6.490 126.348 120.500 -1.070 0.000 2.698 422 R HA 0.613 4.954 4.340 0.000 0.000 0.275 422 R C -3.249 172.551 176.300 -0.833 0.000 1.001 422 R CA -1.765 53.835 56.100 -0.833 0.000 0.896 422 R CB 0.507 30.220 30.300 -0.978 0.000 1.218 422 R HN 0.597 nan 8.270 nan 0.000 0.462 423 P HA 0.343 nan 4.420 nan 0.000 0.276 423 P C -2.695 174.693 177.300 0.147 0.000 1.252 423 P CA -1.700 61.454 63.100 0.090 0.000 0.802 423 P CB 0.229 32.106 31.700 0.295 0.000 1.035 424 P HA 0.044 nan 4.420 nan 0.000 0.266 424 P C -0.259 176.863 177.300 -0.296 0.000 1.195 424 P CA 0.456 63.221 63.100 -0.559 0.000 0.768 424 P CB -0.359 30.956 31.700 -0.642 0.000 0.838 425 F N -0.249 119.435 119.950 -0.442 0.000 3.034 425 F HA -0.268 4.259 4.527 0.000 0.000 0.286 425 F C 1.327 177.003 175.800 -0.207 0.000 0.804 425 F CA 0.735 58.533 58.000 -0.337 0.000 1.161 425 F CB -3.046 35.788 39.000 -0.276 0.000 1.317 425 F HN 0.431 nan 8.300 nan 0.000 0.453 426 Y N 0.612 120.882 120.300 -0.050 0.000 2.315 426 Y HA -0.127 4.423 4.550 0.000 0.000 0.288 426 Y C 1.819 177.731 175.900 0.019 0.000 1.154 426 Y CA 1.536 59.645 58.100 0.015 0.000 1.229 426 Y CB -0.731 37.744 38.460 0.024 0.000 0.980 426 Y HN 0.327 nan 8.280 nan 0.000 0.540 427 D N 0.459 120.397 120.400 -0.770 0.000 2.360 427 D HA -0.028 4.612 4.640 0.000 0.000 0.210 427 D C 1.395 177.543 176.300 -0.254 0.000 1.047 427 D CA 0.938 54.594 54.000 -0.573 0.000 0.854 427 D CB -0.413 39.911 40.800 -0.793 0.000 0.936 427 D HN 0.484 nan 8.370 nan 0.000 0.514 428 V N -2.299 117.515 119.914 -0.166 0.000 3.485 428 V HA 0.345 4.465 4.120 0.000 0.000 0.280 428 V C 0.355 176.413 176.094 -0.061 0.000 1.495 428 V CA 0.312 62.559 62.300 -0.089 0.000 1.018 428 V CB 0.268 32.056 31.823 -0.058 0.000 0.818 428 V HN 0.099 nan 8.190 nan 0.000 0.436 429 V N -2.396 117.498 119.914 -0.034 0.000 3.007 429 V HA 0.821 4.941 4.120 0.000 0.000 0.311 429 V C -2.635 173.469 176.094 0.016 0.000 1.120 429 V CA -1.831 60.454 62.300 -0.025 0.000 0.980 429 V CB 1.572 33.362 31.823 -0.056 0.000 1.033 429 V HN 0.153 nan 8.190 nan 0.000 0.429 430 P HA 0.278 nan 4.420 nan 0.000 0.282 430 P C 0.483 177.823 177.300 0.067 0.000 1.286 430 P CA -0.154 62.972 63.100 0.042 0.000 0.777 430 P CB 0.552 32.271 31.700 0.033 0.000 1.184 431 N N -0.238 118.508 118.700 0.078 0.000 2.036 431 N HA -0.139 4.602 4.740 0.000 0.000 0.195 431 N C -0.040 175.526 175.510 0.093 0.000 1.037 431 N CA 1.557 54.666 53.050 0.098 0.000 0.855 431 N CB -0.750 37.793 38.487 0.093 0.000 1.033 431 N HN 0.462 nan 8.380 nan 0.000 0.423 432 D N 1.258 121.703 120.400 0.074 0.000 2.467 432 D HA 0.259 4.899 4.640 0.000 0.000 0.220 432 D C -2.443 173.892 176.300 0.058 0.000 1.103 432 D CA -1.439 52.605 54.000 0.072 0.000 0.886 432 D CB 1.078 41.917 40.800 0.065 0.000 1.025 432 D HN 0.134 nan 8.370 nan 0.000 0.514 433 P HA 0.092 nan 4.420 nan 0.000 0.276 433 P C -0.262 177.058 177.300 0.032 0.000 1.264 433 P CA -0.513 62.598 63.100 0.019 0.000 0.769 433 P CB 0.556 32.246 31.700 -0.015 0.000 0.840 434 S N 3.069 118.790 115.700 0.035 0.000 2.549 434 S HA 0.061 4.531 4.470 0.000 0.000 0.283 434 S C 1.066 175.718 174.600 0.087 0.000 1.320 434 S CA -0.525 57.720 58.200 0.074 0.000 1.058 434 S CB -0.075 63.164 63.200 0.065 0.000 0.882 434 S HN 0.378 nan 8.310 nan 0.000 0.498 435 F N 2.849 122.796 119.950 -0.005 0.000 2.158 435 F HA -0.289 4.238 4.527 0.000 0.000 0.299 435 F C 2.504 178.284 175.800 -0.034 0.000 1.060 435 F CA 2.742 60.734 58.000 -0.014 0.000 1.284 435 F CB -0.790 38.208 39.000 -0.003 0.000 1.035 435 F HN 0.867 nan 8.300 nan 0.000 0.496 436 E N -0.225 120.066 120.200 0.153 0.000 2.112 436 E HA -0.151 4.199 4.350 0.000 0.000 0.190 436 E C 1.794 178.362 176.600 -0.054 0.000 0.979 436 E CA 1.297 57.731 56.400 0.058 0.000 0.814 436 E CB -0.967 28.785 29.700 0.086 0.000 0.762 436 E HN 0.527 nan 8.360 nan 0.000 0.460 437 D N 0.051 120.419 120.400 -0.053 0.000 2.123 437 D HA -0.143 4.497 4.640 0.000 0.000 0.196 437 D C 2.001 178.198 176.300 -0.172 0.000 0.992 437 D CA 1.481 55.428 54.000 -0.088 0.000 0.833 437 D CB -0.110 40.653 40.800 -0.061 0.000 0.954 437 D HN 0.286 nan 8.370 nan 0.000 0.455 438 M N 0.415 119.876 119.600 -0.231 0.000 2.156 438 M HA -0.065 4.415 4.480 0.000 0.000 0.264 438 M C 2.135 178.219 176.300 -0.361 0.000 1.067 438 M CA 0.892 55.983 55.300 -0.348 0.000 1.131 438 M CB -0.881 31.499 32.600 -0.366 0.000 1.368 438 M HN -0.053 nan 8.290 nan 0.000 0.416 439 K N 0.764 120.942 120.400 -0.369 0.000 2.059 439 K HA -0.247 4.074 4.320 0.000 0.000 0.212 439 K C 2.131 178.611 176.600 -0.201 0.000 1.050 439 K CA 1.966 58.069 56.287 -0.308 0.000 0.927 439 K CB -0.090 32.261 32.500 -0.249 0.000 0.714 439 K HN 0.210 nan 8.250 nan 0.000 0.447 440 K N 0.054 120.358 120.400 -0.160 0.000 2.026 440 K HA -0.121 4.199 4.320 0.000 0.000 0.208 440 K C 1.862 178.382 176.600 -0.133 0.000 1.048 440 K CA 1.540 57.756 56.287 -0.118 0.000 0.929 440 K CB 0.014 32.460 32.500 -0.089 0.000 0.713 440 K HN 0.029 nan 8.250 nan 0.000 0.439 441 V N 0.583 120.387 119.914 -0.184 0.000 2.323 441 V HA -0.180 3.940 4.120 0.000 0.000 0.244 441 V C 2.252 178.230 176.094 -0.194 0.000 1.041 441 V CA 1.451 63.632 62.300 -0.197 0.000 1.025 441 V CB 0.124 31.770 31.823 -0.295 0.000 0.656 441 V HN 0.189 nan 8.190 nan 0.000 0.451 442 V N -1.629 118.126 119.914 -0.265 0.000 2.649 442 V HA -0.133 3.987 4.120 0.000 0.000 0.248 442 V C 2.171 178.186 176.094 -0.133 0.000 1.054 442 V CA 1.735 63.917 62.300 -0.197 0.000 1.073 442 V CB 0.041 31.694 31.823 -0.283 0.000 0.699 442 V HN 0.616 nan 8.190 nan 0.000 0.463 443 C N -1.351 117.857 119.300 -0.153 0.000 2.480 443 C HA 0.132 4.592 4.460 0.000 0.000 0.304 443 C C 2.601 177.544 174.990 -0.078 0.000 1.399 443 C CA 0.212 59.160 59.018 -0.117 0.000 1.900 443 C CB -0.070 27.590 27.740 -0.133 0.000 2.194 443 C HN 0.352 nan 8.230 nan 0.000 0.550 444 V N 1.848 121.715 119.914 -0.079 0.000 2.270 444 V HA -0.155 3.965 4.120 0.000 0.000 0.245 444 V C 1.740 177.807 176.094 -0.045 0.000 1.043 444 V CA 2.240 64.507 62.300 -0.055 0.000 1.014 444 V CB -0.736 31.055 31.823 -0.053 0.000 0.645 444 V HN 0.445 nan 8.190 nan 0.000 0.447 445 D N -1.021 119.348 120.400 -0.053 0.000 2.355 445 D HA 0.027 4.667 4.640 0.000 0.000 0.218 445 D C 1.364 177.650 176.300 -0.022 0.000 1.004 445 D CA 0.355 54.332 54.000 -0.038 0.000 0.880 445 D CB -0.188 40.584 40.800 -0.047 0.000 0.911 445 D HN 0.411 nan 8.370 nan 0.000 0.528 446 Q N 0.240 120.027 119.800 -0.021 0.000 2.457 446 Q HA -0.245 4.096 4.340 0.000 0.000 0.283 446 Q C -0.511 175.510 176.000 0.036 0.000 1.234 446 Q CA 0.433 56.244 55.803 0.013 0.000 0.877 446 Q CB -1.780 26.969 28.738 0.018 0.000 1.250 446 Q HN 0.367 nan 8.270 nan 0.000 0.481 447 Q N -0.056 119.762 119.800 0.030 0.000 2.299 447 Q HA 0.544 4.885 4.340 0.000 0.000 0.246 447 Q C -0.175 175.888 176.000 0.104 0.000 0.935 447 Q CA 0.547 56.378 55.803 0.047 0.000 0.887 447 Q CB 0.991 29.756 28.738 0.045 0.000 1.223 447 Q HN 0.433 nan 8.270 nan 0.000 0.439 448 T N -0.011 114.503 114.554 -0.067 0.000 2.906 448 T HA 0.609 4.959 4.350 0.000 0.000 0.295 448 T C -2.640 171.660 174.700 -0.667 0.000 1.075 448 T CA -2.192 59.672 62.100 -0.393 0.000 1.005 448 T CB 1.362 69.943 68.868 -0.478 0.000 1.136 448 T HN 0.311 nan 8.240 nan 0.000 0.498 449 P HA 0.208 nan 4.420 nan 0.000 0.265 449 P C 0.011 176.924 177.300 -0.644 0.000 1.193 449 P CA -0.033 62.291 63.100 -1.293 0.000 0.765 449 P CB 0.215 30.673 31.700 -2.070 0.000 0.823 450 T N 3.299 117.668 114.554 -0.309 0.000 2.901 450 T HA 0.281 4.632 4.350 0.000 0.000 0.301 450 T C 0.218 175.050 174.700 0.220 0.000 1.012 450 T CA -0.355 61.731 62.100 -0.023 0.000 1.135 450 T CB -0.318 68.551 68.868 0.001 0.000 0.936 450 T HN 0.158 nan 8.240 nan 0.000 0.539 451 I N 7.438 128.121 120.570 0.189 0.000 2.313 451 I HA 0.262 4.432 4.170 0.000 0.000 0.286 451 I C -1.865 174.331 176.117 0.132 0.000 1.091 451 I CA -2.136 59.304 61.300 0.233 0.000 1.216 451 I CB 0.712 38.836 38.000 0.206 0.000 1.434 451 I HN 0.479 nan 8.210 nan 0.000 0.487 452 P HA -0.054 nan 4.420 nan 0.000 0.261 452 P C 0.539 177.856 177.300 0.028 0.000 1.158 452 P CA 0.245 63.373 63.100 0.048 0.000 0.758 452 P CB 0.453 32.151 31.700 -0.003 0.000 0.763 453 N N 2.041 120.754 118.700 0.022 0.000 2.519 453 N HA -0.132 4.609 4.740 0.000 0.000 0.186 453 N C 1.580 177.091 175.510 0.002 0.000 1.062 453 N CA 0.634 53.692 53.050 0.014 0.000 0.910 453 N CB -0.263 38.231 38.487 0.013 0.000 0.958 453 N HN 0.438 nan 8.380 nan 0.000 0.445 454 R N 0.265 120.760 120.500 -0.008 0.000 2.193 454 R HA -0.010 4.330 4.340 0.000 0.000 0.229 454 R C 1.448 177.734 176.300 -0.022 0.000 1.110 454 R CA 0.656 56.745 56.100 -0.019 0.000 0.988 454 R CB -0.004 30.276 30.300 -0.033 0.000 0.871 454 R HN 0.046 nan 8.270 nan 0.000 0.458 455 L N 0.099 121.310 121.223 -0.020 0.000 2.109 455 L HA 0.016 4.357 4.340 0.000 0.000 0.207 455 L C 2.072 178.933 176.870 -0.014 0.000 1.086 455 L CA 1.540 56.366 54.840 -0.022 0.000 0.760 455 L CB -0.500 41.547 42.059 -0.020 0.000 0.910 455 L HN 0.161 nan 8.230 nan 0.000 0.437 456 A N -0.856 121.961 122.820 -0.007 0.000 2.276 456 A HA 0.192 4.512 4.320 0.000 0.000 0.205 456 A C 2.079 179.660 177.584 -0.006 0.000 1.234 456 A CA 1.149 53.183 52.037 -0.004 0.000 0.797 456 A CB -0.715 18.285 19.000 0.001 0.000 0.769 456 A HN 0.369 nan 8.150 nan 0.000 0.491 457 A N -0.173 122.641 122.820 -0.010 0.000 1.982 457 A HA 0.430 4.750 4.320 0.000 0.000 0.217 457 A C 1.256 178.834 177.584 -0.010 0.000 1.457 457 A CA 0.907 52.938 52.037 -0.010 0.000 0.654 457 A CB -0.960 18.032 19.000 -0.013 0.000 1.150 457 A HN 0.606 nan 8.150 nan 0.000 0.509 458 D N 0.482 120.874 120.400 -0.012 0.000 2.400 458 D HA 0.361 5.001 4.640 0.000 0.000 0.238 458 D C -1.308 174.988 176.300 -0.007 0.000 1.157 458 D CA -0.598 53.396 54.000 -0.010 0.000 0.889 458 D CB -0.303 40.490 40.800 -0.011 0.000 1.199 458 D HN 0.283 nan 8.370 nan 0.000 0.436 459 P HA -0.081 nan 4.420 nan 0.000 0.220 459 P C 1.741 179.040 177.300 -0.001 0.000 1.152 459 P CA 0.732 63.831 63.100 -0.002 0.000 0.812 459 P CB 0.109 31.809 31.700 -0.000 0.000 0.792 460 V N 1.242 121.158 119.914 0.002 0.000 2.223 460 V HA -0.221 3.899 4.120 0.000 0.000 0.244 460 V C 2.685 178.776 176.094 -0.005 0.000 1.045 460 V CA 1.782 64.085 62.300 0.006 0.000 1.000 460 V CB -1.654 30.177 31.823 0.014 0.000 0.635 460 V HN -0.023 nan 8.190 nan 0.000 0.445 461 L N 0.289 121.504 121.223 -0.013 0.000 2.551 461 L HA -0.021 4.319 4.340 0.000 0.000 0.228 461 L C 2.443 179.300 176.870 -0.022 0.000 1.153 461 L CA 0.489 55.315 54.840 -0.024 0.000 0.851 461 L CB -0.679 41.359 42.059 -0.035 0.000 0.959 461 L HN 0.254 nan 8.230 nan 0.000 0.451 462 S N 0.784 116.474 115.700 -0.016 0.000 2.348 462 S HA -0.135 4.335 4.470 0.000 0.000 0.221 462 S C 2.193 176.781 174.600 -0.021 0.000 1.033 462 S CA 1.445 59.636 58.200 -0.015 0.000 1.010 462 S CB -0.590 62.604 63.200 -0.010 0.000 0.891 462 S HN 0.609 nan 8.310 nan 0.000 0.442 463 G N 1.881 110.671 108.800 -0.017 0.000 2.440 463 G HA2 -0.158 3.802 3.960 0.000 0.000 0.218 463 G HA3 -0.158 3.802 3.960 0.000 0.000 0.218 463 G C 1.330 176.212 174.900 -0.030 0.000 1.154 463 G CA 0.793 45.882 45.100 -0.018 0.000 0.767 463 G HN 0.429 nan 8.290 nan 0.000 0.552 464 L N 0.431 121.636 121.223 -0.029 0.000 2.044 464 L HA 0.031 4.372 4.340 0.000 0.000 0.205 464 L C 3.421 180.248 176.870 -0.072 0.000 1.075 464 L CA 0.953 55.767 54.840 -0.042 0.000 0.747 464 L CB -0.638 41.399 42.059 -0.037 0.000 0.903 464 L HN 0.296 nan 8.230 nan 0.000 0.435 465 A N -0.081 122.707 122.820 -0.053 0.000 1.883 465 A HA -0.290 4.031 4.320 0.000 0.000 0.217 465 A C 2.238 179.768 177.584 -0.090 0.000 1.186 465 A CA 2.022 54.031 52.037 -0.046 0.000 0.624 465 A CB -0.558 18.434 19.000 -0.013 0.000 0.822 465 A HN 0.389 nan 8.150 nan 0.000 0.444 466 Q N -0.666 119.085 119.800 -0.081 0.000 2.119 466 Q HA -0.026 4.314 4.340 0.000 0.000 0.201 466 Q C 1.988 177.891 176.000 -0.162 0.000 0.972 466 Q CA 1.949 57.694 55.803 -0.098 0.000 0.847 466 Q CB -0.393 28.309 28.738 -0.059 0.000 0.903 466 Q HN 0.668 nan 8.270 nan 0.000 0.433 467 M N -1.046 118.463 119.600 -0.153 0.000 2.175 467 M HA -0.146 4.334 4.480 0.000 0.000 0.264 467 M C 2.068 178.158 176.300 -0.350 0.000 1.063 467 M CA 1.306 56.495 55.300 -0.184 0.000 1.119 467 M CB -0.120 32.425 32.600 -0.092 0.000 1.377 467 M HN 0.324 nan 8.290 nan 0.000 0.415 468 M N -0.542 118.786 119.600 -0.453 0.000 2.073 468 M HA -0.289 4.191 4.480 0.000 0.000 0.258 468 M C 2.148 177.702 176.300 -1.242 0.000 1.070 468 M CA 1.971 56.670 55.300 -1.002 0.000 1.103 468 M CB -0.434 31.697 32.600 -0.782 0.000 1.321 468 M HN 0.172 nan 8.290 nan 0.000 0.405 469 R N -0.009 120.129 120.500 -0.604 0.000 2.103 469 R HA -0.180 4.160 4.340 0.000 0.000 0.242 469 R C 1.700 177.664 176.300 -0.560 0.000 1.142 469 R CA 1.657 57.532 56.100 -0.374 0.000 0.960 469 R CB -0.408 29.766 30.300 -0.210 0.000 0.858 469 R HN 0.527 nan 8.270 nan 0.000 0.439 470 E N -0.579 119.298 120.200 -0.539 0.000 2.502 470 E HA -0.036 4.314 4.350 0.000 0.000 0.194 470 E C 1.249 177.644 176.600 -0.343 0.000 1.062 470 E CA 0.127 56.212 56.400 -0.526 0.000 0.867 470 E CB 0.242 29.773 29.700 -0.282 0.000 0.888 470 E HN 0.363 nan 8.360 nan 0.000 0.510 471 C N 0.039 119.074 119.300 -0.442 0.000 2.563 471 C HA 0.033 4.494 4.460 0.000 0.000 0.268 471 C C 1.133 176.083 174.990 -0.067 0.000 1.365 471 C CA -0.315 58.522 59.018 -0.302 0.000 1.754 471 C CB -0.571 26.868 27.740 -0.502 0.000 1.932 471 C HN 0.586 nan 8.230 nan 0.000 0.536 472 W N -1.021 120.209 121.300 -0.116 0.000 2.991 472 W HA 0.380 5.040 4.660 0.000 0.000 0.391 472 W C 0.046 176.698 176.519 0.220 0.000 1.054 472 W CA -1.248 56.073 57.345 -0.040 0.000 1.856 472 W CB -1.165 28.105 29.460 -0.316 0.000 1.132 472 W HN 0.207 nan 8.180 nan 0.000 0.601 473 Y N 2.850 123.334 120.300 0.306 0.000 2.717 473 Y HA 0.019 4.569 4.550 0.000 0.000 0.330 473 Y C -0.856 175.171 175.900 0.211 0.000 1.217 473 Y CA -1.831 56.385 58.100 0.195 0.000 1.506 473 Y CB -0.271 38.232 38.460 0.071 0.000 1.268 473 Y HN -0.147 nan 8.280 nan 0.000 0.561 474 P HA -0.159 nan 4.420 nan 0.000 0.216 474 P C 0.101 177.432 177.300 0.051 0.000 1.150 474 P CA 1.340 64.542 63.100 0.170 0.000 0.837 474 P CB 0.220 31.984 31.700 0.106 0.000 0.786 475 N N -0.244 118.459 118.700 0.004 0.000 2.402 475 N HA 0.062 4.802 4.740 0.000 0.000 0.252 475 N C -1.738 173.666 175.510 -0.177 0.000 1.118 475 N CA -1.973 51.016 53.050 -0.102 0.000 0.945 475 N CB 0.212 38.614 38.487 -0.142 0.000 1.147 475 N HN -0.103 nan 8.380 nan 0.000 0.495 476 P HA -0.145 nan 4.420 nan 0.000 0.217 476 P C 0.734 177.308 177.300 -1.210 0.000 1.148 476 P CA 1.255 64.064 63.100 -0.484 0.000 0.828 476 P CB 0.136 31.637 31.700 -0.332 0.000 0.783 477 S N -1.106 113.856 115.700 -1.230 0.000 2.522 477 S HA 0.089 4.559 4.470 0.000 0.000 0.227 477 S C 1.900 176.223 174.600 -0.462 0.000 0.986 477 S CA 0.691 58.179 58.200 -1.186 0.000 0.929 477 S CB -0.931 61.842 63.200 -0.713 0.000 0.769 477 S HN 0.109 nan 8.310 nan 0.000 0.529 478 A N 1.367 124.008 122.820 -0.299 0.000 2.208 478 A HA 0.218 4.538 4.320 0.000 0.000 0.209 478 A C 1.190 178.823 177.584 0.082 0.000 1.161 478 A CA -0.163 51.832 52.037 -0.070 0.000 0.782 478 A CB -0.168 18.783 19.000 -0.080 0.000 0.816 478 A HN 0.458 nan 8.150 nan 0.000 0.477 479 R N -0.439 120.054 120.500 -0.011 0.000 2.582 479 R HA 0.467 4.808 4.340 0.000 0.000 0.271 479 R C -0.394 175.960 176.300 0.091 0.000 1.078 479 R CA -0.526 55.617 56.100 0.072 0.000 1.127 479 R CB 0.508 30.864 30.300 0.094 0.000 1.038 479 R HN 0.310 nan 8.270 nan 0.000 0.500 480 L N 1.282 122.536 121.223 0.052 0.000 2.483 480 L HA 0.052 4.392 4.340 0.000 0.000 0.275 480 L C 1.104 178.017 176.870 0.071 0.000 1.220 480 L CA 0.129 54.990 54.840 0.035 0.000 0.833 480 L CB 0.357 42.394 42.059 -0.038 0.000 1.102 480 L HN 0.768 nan 8.230 nan 0.000 0.490 481 T N -1.155 113.433 114.554 0.057 0.000 2.874 481 T HA 0.411 4.761 4.350 0.000 0.000 0.281 481 T C 1.010 175.661 174.700 -0.082 0.000 0.994 481 T CA -0.257 61.872 62.100 0.048 0.000 1.015 481 T CB 1.636 70.542 68.868 0.064 0.000 1.028 481 T HN 0.635 nan 8.240 nan 0.000 0.523 482 A N 0.872 123.604 122.820 -0.147 0.000 1.933 482 A HA 0.019 4.339 4.320 0.000 0.000 0.218 482 A C 2.135 179.584 177.584 -0.224 0.000 1.175 482 A CA 1.307 53.142 52.037 -0.338 0.000 0.628 482 A CB -1.018 17.679 19.000 -0.505 0.000 0.814 482 A HN 0.766 nan 8.150 nan 0.000 0.444 483 L N -0.256 120.899 121.223 -0.114 0.000 2.017 483 L HA -0.122 4.218 4.340 0.000 0.000 0.208 483 L C 2.434 179.269 176.870 -0.058 0.000 1.073 483 L CA 2.443 57.245 54.840 -0.065 0.000 0.745 483 L CB -0.702 41.346 42.059 -0.018 0.000 0.894 483 L HN 0.446 nan 8.230 nan 0.000 0.432 484 R N -0.451 120.018 120.500 -0.051 0.000 2.092 484 R HA -0.092 4.248 4.340 0.000 0.000 0.231 484 R C 2.172 178.435 176.300 -0.062 0.000 1.119 484 R CA 1.622 57.699 56.100 -0.038 0.000 0.970 484 R CB -0.467 29.822 30.300 -0.018 0.000 0.864 484 R HN 0.478 nan 8.270 nan 0.000 0.440 485 I N 0.722 121.222 120.570 -0.116 0.000 2.163 485 I HA -0.296 3.875 4.170 0.000 0.000 0.240 485 I C 2.493 178.555 176.117 -0.092 0.000 1.081 485 I CA 1.569 62.788 61.300 -0.134 0.000 1.353 485 I CB -0.478 37.352 38.000 -0.283 0.000 1.054 485 I HN 0.259 nan 8.210 nan 0.000 0.407 486 K N 1.824 122.156 120.400 -0.113 0.000 2.032 486 K HA -0.292 4.028 4.320 0.000 0.000 0.218 486 K C 2.110 178.698 176.600 -0.020 0.000 1.054 486 K CA 2.077 58.332 56.287 -0.053 0.000 0.941 486 K CB -0.156 32.314 32.500 -0.051 0.000 0.720 486 K HN 0.234 nan 8.250 nan 0.000 0.449 487 K N -0.227 120.160 120.400 -0.022 0.000 2.032 487 K HA -0.106 4.214 4.320 0.000 0.000 0.209 487 K C 2.243 178.841 176.600 -0.003 0.000 1.048 487 K CA 2.132 58.415 56.287 -0.006 0.000 0.927 487 K CB -0.268 32.229 32.500 -0.005 0.000 0.712 487 K HN 0.281 nan 8.250 nan 0.000 0.441 488 T N 2.032 116.580 114.554 -0.011 0.000 2.720 488 T HA -0.123 4.227 4.350 0.000 0.000 0.268 488 T C 1.824 176.525 174.700 0.002 0.000 1.037 488 T CA 1.177 63.273 62.100 -0.007 0.000 1.144 488 T CB -0.217 68.641 68.868 -0.016 0.000 0.864 488 T HN 0.111 nan 8.240 nan 0.000 0.444 489 L N 0.561 121.788 121.223 0.007 0.000 2.191 489 L HA -0.072 4.268 4.340 0.000 0.000 0.212 489 L C 2.681 179.566 176.870 0.024 0.000 1.103 489 L CA 1.184 56.037 54.840 0.021 0.000 0.769 489 L CB -0.499 41.583 42.059 0.037 0.000 0.908 489 L HN 0.263 nan 8.230 nan 0.000 0.438 490 Q N -0.500 119.312 119.800 0.020 0.000 2.435 490 Q HA -0.117 4.223 4.340 0.000 0.000 0.207 490 Q C 2.008 178.019 176.000 0.019 0.000 0.956 490 Q CA 0.584 56.401 55.803 0.022 0.000 0.917 490 Q CB 0.211 28.961 28.738 0.020 0.000 0.997 490 Q HN 0.354 nan 8.270 nan 0.000 0.497 491 K N 0.116 120.525 120.400 0.014 0.000 2.243 491 K HA -0.011 4.309 4.320 0.000 0.000 0.201 491 K C 1.565 178.172 176.600 0.012 0.000 1.051 491 K CA 0.494 56.788 56.287 0.011 0.000 0.970 491 K CB 0.292 32.796 32.500 0.007 0.000 0.755 491 K HN 0.147 nan 8.250 nan 0.000 0.465 492 I N 0.302 120.881 120.570 0.016 0.000 2.270 492 I HA -0.161 4.009 4.170 0.000 0.000 0.239 492 I C 1.447 177.575 176.117 0.019 0.000 1.080 492 I CA 0.371 61.681 61.300 0.016 0.000 1.383 492 I CB -0.225 37.786 38.000 0.019 0.000 1.097 492 I HN 0.032 nan 8.210 nan 0.000 0.420 493 S N 0.000 115.719 115.700 0.031 0.000 2.498 493 S HA 0.000 4.470 4.470 0.000 0.000 0.327 493 S CA 0.000 58.221 58.200 0.035 0.000 1.107 493 S CB 0.000 63.245 63.200 0.076 0.000 0.593 493 S HN 0.000 nan 8.310 nan 0.000 0.517