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 2h6o_1_A DATA FIRST_RESID 4 DATA SEQUENCE ALLVcQYTIQ SLIQLTRDDP GFFNVEILEF PFYPACNVCT ADVNATINFD DATA SEQUENCE VGGKKHKLNL DFGLLTPHTK AVYQPRGAFG GSENATNLFL LELLGAGELA DATA SEQUENCE LTMRSKKLPI NITAGEEQQV SLESVDVYFQ DVFGTMWcHH AEMQNPVYLI DATA SEQUENCE PETVPYIKWD NcNSTNITAV VRAQGLDVTL PLSLPTSAQD SNFSVKTEML DATA SEQUENCE GNEIDIEcIM EDGEISQVLP GDNKFNITcS GYESHVPSGG ILTSTSPVAT DATA SEQUENCE PIPGTGYAYS LRLTPRPVSR FLGNNSILYV FYSGNGPKAS GGDYcIQSNI DATA SEQUENCE VFSDEIPASQ DMPTNTTDIT YVGDNATYSV PMVTSEDANS PNVTVTAFWA DATA SEQUENCE WPNNTETDFK cKWTLTSGTP SGcENISGAF ASNRTFDITV SGLGTAPKTL DATA SEQUENCE IITRTATNAT TTTHKVIFSK APESTTTSPT LNTTGFAAPN 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.572 177.584 -0.020 0.000 1.274 4 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 4 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 5 L N 1.511 122.727 121.223 -0.012 0.000 2.436 5 L HA 0.888 5.228 4.340 0.000 0.000 0.265 5 L C 1.436 178.300 176.870 -0.009 0.000 1.168 5 L CA -0.056 54.773 54.840 -0.018 0.000 0.815 5 L CB -0.521 41.540 42.059 0.004 0.000 1.109 5 L HN 2.420 nan 8.230 nan 0.000 0.462 6 L N 1.278 122.488 121.223 -0.022 0.000 2.558 6 L HA 0.451 4.791 4.340 0.000 0.000 0.301 6 L C 1.663 178.575 176.870 0.069 0.000 1.267 6 L CA 1.452 56.311 54.840 0.032 0.000 0.854 6 L CB -1.476 40.633 42.059 0.084 0.000 1.103 6 L HN 2.163 nan 8.230 nan 0.000 0.522 7 V N 1.594 121.540 119.914 0.053 0.000 2.806 7 V HA 0.281 4.401 4.120 0.000 0.000 0.239 7 V C 1.822 177.927 176.094 0.019 0.000 1.113 7 V CA 1.028 63.340 62.300 0.021 0.000 1.137 7 V CB -0.700 31.113 31.823 -0.016 0.000 0.865 7 V HN 2.785 nan 8.190 nan 0.000 0.482 8 c N 2.351 120.964 118.600 0.022 0.000 1.681 8 c HA -0.041 4.529 4.570 0.000 0.000 0.189 8 c C 0.177 174.203 174.090 -0.108 0.000 0.949 8 c CA -0.323 55.999 56.329 -0.010 0.000 3.277 8 c CB -2.727 39.839 42.510 0.093 0.000 1.871 8 c HN 1.193 nan 8.230 nan 0.000 0.206 9 Q N 2.743 122.392 119.800 -0.251 0.000 2.299 9 Q HA 0.496 4.836 4.340 0.000 0.000 0.246 9 Q C 0.051 175.768 176.000 -0.472 0.000 0.935 9 Q CA -0.390 55.124 55.803 -0.482 0.000 0.887 9 Q CB 0.435 28.739 28.738 -0.724 0.000 1.223 9 Q HN 1.382 nan 8.270 nan 0.000 0.439 10 Y N -0.975 119.243 120.300 -0.138 0.000 2.852 10 Y HA -0.181 4.369 4.550 0.000 0.000 0.052 10 Y C -0.651 175.314 175.900 0.108 0.000 2.087 10 Y CA 0.247 58.318 58.100 -0.048 0.000 1.143 10 Y CB -1.581 36.701 38.460 -0.297 0.000 1.819 10 Y HN 0.663 nan 8.280 nan 0.000 0.299 11 T N 4.881 119.571 114.554 0.226 0.000 2.829 11 T HA 0.715 5.065 4.350 0.000 0.000 0.280 11 T C -0.149 174.646 174.700 0.159 0.000 0.999 11 T CA -0.806 61.398 62.100 0.174 0.000 0.983 11 T CB 1.554 70.462 68.868 0.066 0.000 0.968 11 T HN 0.280 nan 8.240 nan 0.000 0.446 12 I N 3.558 124.209 120.570 0.134 0.000 2.362 12 I HA 0.307 4.477 4.170 0.000 0.000 0.289 12 I C 0.301 176.324 176.117 -0.156 0.000 0.994 12 I CA -0.949 60.381 61.300 0.050 0.000 1.158 12 I CB 1.580 39.694 38.000 0.189 0.000 1.315 12 I HN 0.491 nan 8.210 nan 0.000 0.451 13 Q N 3.461 123.215 119.800 -0.078 0.000 2.306 13 Q HA 0.456 4.796 4.340 0.000 0.000 0.241 13 Q C 0.004 175.942 176.000 -0.104 0.000 0.948 13 Q CA -0.195 55.562 55.803 -0.077 0.000 0.886 13 Q CB 2.048 30.780 28.738 -0.009 0.000 1.227 13 Q HN 0.658 nan 8.270 nan 0.000 0.457 14 S N 2.039 117.694 115.700 -0.075 0.000 2.616 14 S HA 0.276 4.746 4.470 0.000 0.000 0.276 14 S C -1.364 173.251 174.600 0.024 0.000 1.159 14 S CA -0.763 57.428 58.200 -0.015 0.000 1.000 14 S CB 0.559 63.770 63.200 0.018 0.000 1.117 14 S HN 0.403 nan 8.310 nan 0.000 0.464 15 L N 5.299 126.548 121.223 0.043 0.000 2.350 15 L HA 0.659 4.999 4.340 0.000 0.000 0.275 15 L C -0.277 176.640 176.870 0.079 0.000 1.099 15 L CA -0.203 54.670 54.840 0.055 0.000 0.808 15 L CB 1.032 43.120 42.059 0.048 0.000 1.149 15 L HN 0.775 nan 8.230 nan 0.000 0.442 16 I N 3.673 124.305 120.570 0.103 0.000 2.802 16 I HA 0.376 4.546 4.170 0.000 0.000 0.298 16 I C -0.637 175.584 176.117 0.175 0.000 1.176 16 I CA -0.656 60.743 61.300 0.166 0.000 1.025 16 I CB 2.482 40.626 38.000 0.240 0.000 1.243 16 I HN 0.524 nan 8.210 nan 0.000 0.424 17 Q N 4.651 124.556 119.800 0.175 0.000 2.511 17 Q HA 0.459 4.799 4.340 0.000 0.000 0.289 17 Q C -2.257 173.720 176.000 -0.039 0.000 1.021 17 Q CA -0.853 55.011 55.803 0.102 0.000 0.785 17 Q CB 2.840 31.604 28.738 0.044 0.000 1.472 17 Q HN 0.547 nan 8.270 nan 0.000 0.411 18 L N 1.497 122.642 121.223 -0.130 0.000 2.289 18 L HA 0.546 4.887 4.340 0.000 0.000 0.285 18 L C -0.638 176.087 176.870 -0.242 0.000 1.049 18 L CA 0.323 54.928 54.840 -0.391 0.000 0.804 18 L CB 1.574 43.462 42.059 -0.285 0.000 1.195 18 L HN 0.800 nan 8.230 nan 0.000 0.428 19 T N 4.956 119.342 114.554 -0.281 0.000 2.743 19 T HA 0.636 4.986 4.350 0.000 0.000 0.292 19 T C 0.097 174.706 174.700 -0.151 0.000 0.972 19 T CA -0.090 61.911 62.100 -0.165 0.000 0.967 19 T CB -0.044 68.743 68.868 -0.135 0.000 0.926 19 T HN 0.893 nan 8.240 nan 0.000 0.459 20 R N 3.502 123.939 120.500 -0.104 0.000 3.824 20 R HA -0.175 4.165 4.340 0.000 0.000 0.502 20 R C -1.249 174.997 176.300 -0.090 0.000 0.241 20 R CA 1.414 57.463 56.100 -0.085 0.000 1.568 20 R CB -1.242 29.009 30.300 -0.083 0.000 1.045 20 R HN 0.882 nan 8.270 nan 0.000 0.545 21 D N 0.840 121.198 120.400 -0.071 0.000 2.339 21 D HA 0.301 4.941 4.640 0.000 0.000 0.245 21 D C -0.215 176.040 176.300 -0.076 0.000 1.115 21 D CA -0.062 53.904 54.000 -0.057 0.000 0.917 21 D CB 0.311 41.090 40.800 -0.036 0.000 1.192 21 D HN 0.557 nan 8.370 nan 0.000 0.428 22 D N -0.481 119.885 120.400 -0.056 0.000 2.358 22 D HA 0.177 4.818 4.640 0.000 0.000 0.244 22 D C -2.011 174.258 176.300 -0.051 0.000 1.163 22 D CA -1.749 52.209 54.000 -0.070 0.000 0.945 22 D CB 0.092 40.911 40.800 0.032 0.000 1.152 22 D HN 0.134 nan 8.370 nan 0.000 0.451 23 P HA 0.222 nan 4.420 nan 0.000 0.261 23 P C 0.578 177.956 177.300 0.129 0.000 1.268 23 P CA 0.241 63.340 63.100 -0.001 0.000 0.833 23 P CB 0.513 32.177 31.700 -0.060 0.000 1.231 24 G N -0.406 108.459 108.800 0.108 0.000 2.248 24 G HA2 -0.270 3.690 3.960 0.000 0.000 0.263 24 G HA3 -0.270 3.690 3.960 0.000 0.000 0.263 24 G C 0.308 175.455 174.900 0.412 0.000 1.082 24 G CA 0.011 45.244 45.100 0.222 0.000 0.863 24 G HN 0.337 nan 8.290 nan 0.000 0.495 25 F N -1.418 118.677 119.950 0.241 0.000 2.394 25 F HA 0.562 5.089 4.527 0.001 0.000 0.269 25 F C 1.148 177.095 175.800 0.246 0.000 1.012 25 F CA -0.092 58.056 58.000 0.247 0.000 1.138 25 F CB 0.208 39.299 39.000 0.152 0.000 1.140 25 F HN 0.677 nan 8.300 nan 0.000 0.623 26 F N 2.422 122.555 119.950 0.306 0.000 2.160 26 F HA -0.116 4.411 4.527 0.001 0.000 0.526 26 F C -1.479 174.219 175.800 -0.170 0.000 1.295 26 F CA -1.090 56.807 58.000 -0.171 0.000 1.687 26 F CB -1.050 37.832 39.000 -0.197 0.000 2.704 26 F HN 0.269 nan 8.300 nan 0.000 0.722 27 N N 4.849 122.849 118.700 -1.167 0.000 2.249 27 N HA 0.812 5.552 4.740 0.000 0.000 0.296 27 N C -1.978 173.066 175.510 -0.777 0.000 1.051 27 N CA -0.506 52.103 53.050 -0.735 0.000 0.815 27 N CB 2.393 40.845 38.487 -0.059 0.000 1.487 27 N HN 0.515 nan 8.380 nan 0.000 0.475 28 V N 2.977 122.537 119.914 -0.590 0.000 2.483 28 V HA 0.383 4.503 4.120 0.000 0.000 0.297 28 V C -0.433 175.534 176.094 -0.211 0.000 1.027 28 V CA -0.745 61.355 62.300 -0.333 0.000 0.855 28 V CB 1.192 32.866 31.823 -0.249 0.000 0.995 28 V HN 0.789 nan 8.190 nan 0.000 0.424 29 E N 5.746 125.854 120.200 -0.153 0.000 2.212 29 E HA 0.744 5.094 4.350 0.000 0.000 0.270 29 E C -1.166 175.277 176.600 -0.262 0.000 0.956 29 E CA -0.919 55.381 56.400 -0.166 0.000 0.825 29 E CB 2.649 32.296 29.700 -0.089 0.000 1.167 29 E HN 0.584 nan 8.360 nan 0.000 0.400 30 I N 3.258 123.599 120.570 -0.381 0.000 2.698 30 I HA 0.176 4.346 4.170 0.000 0.000 0.276 30 I C -0.456 175.304 176.117 -0.594 0.000 1.166 30 I CA -0.650 60.245 61.300 -0.675 0.000 1.101 30 I CB 1.051 38.380 38.000 -1.117 0.000 1.305 30 I HN 0.482 nan 8.210 nan 0.000 0.526 31 L N 5.373 126.357 121.223 -0.400 0.000 2.485 31 L HA 0.165 4.505 4.340 0.000 0.000 0.279 31 L C 0.670 177.291 176.870 -0.415 0.000 1.124 31 L CA 1.019 55.648 54.840 -0.351 0.000 0.888 31 L CB 0.297 42.142 42.059 -0.357 0.000 1.217 31 L HN 0.650 nan 8.230 nan 0.000 0.464 32 E N 2.961 122.866 120.200 -0.492 0.000 1.337 32 E HA 0.084 4.434 4.350 0.000 0.000 0.210 32 E C -0.529 175.753 176.600 -0.530 0.000 1.024 32 E CA 0.036 56.143 56.400 -0.488 0.000 1.046 32 E CB -0.295 29.108 29.700 -0.494 0.000 4.653 32 E HN 0.472 nan 8.360 nan 0.000 0.704 33 F N 3.226 122.816 119.950 -0.600 0.000 2.380 33 F HA 0.435 4.962 4.527 0.000 0.000 0.325 33 F C -1.671 173.562 175.800 -0.946 0.000 1.136 33 F CA -1.982 55.383 58.000 -1.057 0.000 1.171 33 F CB 0.635 38.673 39.000 -1.603 0.000 1.230 33 F HN -0.163 nan 8.300 nan 0.000 0.554 34 P HA 0.207 nan 4.420 nan 0.000 0.293 34 P C -1.261 175.607 177.300 -0.721 0.000 1.313 34 P CA -0.044 62.621 63.100 -0.725 0.000 0.787 34 P CB 0.423 31.704 31.700 -0.700 0.000 0.910 35 F N 2.692 122.364 119.950 -0.464 0.000 2.430 35 F HA 0.326 4.853 4.527 0.000 0.000 0.362 35 F C 0.467 176.108 175.800 -0.265 0.000 1.103 35 F CA -0.758 57.080 58.000 -0.270 0.000 1.045 35 F CB 0.890 39.812 39.000 -0.131 0.000 1.276 35 F HN 0.240 nan 8.300 nan 0.000 0.444 36 Y N 4.603 125.073 120.300 0.282 0.000 2.526 36 Y HA 0.138 4.688 4.550 -0.000 0.000 0.330 36 Y C -1.732 174.203 175.900 0.058 0.000 1.156 36 Y CA -1.850 56.381 58.100 0.219 0.000 1.419 36 Y CB 0.080 38.843 38.460 0.505 0.000 1.250 36 Y HN 0.328 nan 8.280 nan 0.000 0.540 37 P HA 0.091 nan 4.420 nan 0.000 0.274 37 P C -0.139 176.941 177.300 -0.367 0.000 1.231 37 P CA 0.361 63.389 63.100 -0.119 0.000 0.790 37 P CB 1.326 32.953 31.700 -0.123 0.000 0.951 38 A N 0.376 122.867 122.820 -0.549 0.000 2.798 38 A HA -0.201 4.119 4.320 0.000 0.000 0.282 38 A C 0.395 177.184 177.584 -1.325 0.000 1.464 38 A CA 0.980 52.212 52.037 -1.343 0.000 0.844 38 A CB -2.244 16.118 19.000 -1.064 0.000 1.006 38 A HN 0.705 nan 8.150 nan 0.000 0.577 39 C N -0.220 118.763 119.300 -0.528 0.000 2.344 39 C HA 0.717 5.178 4.460 0.000 0.000 0.326 39 C C 1.026 176.116 174.990 0.168 0.000 1.201 39 C CA -0.300 58.764 59.018 0.077 0.000 1.410 39 C CB 0.412 28.532 27.740 0.633 0.000 2.070 39 C HN 0.538 nan 8.230 nan 0.000 0.445 40 N N 2.339 121.218 118.700 0.298 0.000 2.325 40 N HA 0.111 4.851 4.740 0.000 0.000 0.182 40 N C 1.209 176.853 175.510 0.223 0.000 1.088 40 N CA 0.640 53.831 53.050 0.234 0.000 0.879 40 N CB 0.513 39.144 38.487 0.241 0.000 0.983 40 N HN 0.599 nan 8.380 nan 0.000 0.471 41 V N -0.376 119.686 119.914 0.247 0.000 3.650 41 V HA 0.100 4.220 4.120 0.000 0.000 0.271 41 V C 0.440 176.558 176.094 0.039 0.000 1.281 41 V CA 0.035 62.428 62.300 0.155 0.000 1.120 41 V CB -0.379 31.546 31.823 0.169 0.000 0.856 41 V HN 0.207 nan 8.190 nan 0.000 0.443 42 C N 3.423 122.774 119.300 0.084 0.000 2.793 42 C HA 0.188 4.648 4.460 0.000 0.000 0.388 42 C C 1.741 176.728 174.990 -0.004 0.000 1.254 42 C CA 0.144 59.159 59.018 -0.005 0.000 1.326 42 C CB -1.978 25.911 27.740 0.248 0.000 2.065 42 C HN 0.690 nan 8.230 nan 0.000 0.597 43 T N 0.984 115.474 114.554 -0.107 0.000 2.754 43 T HA 0.650 5.000 4.350 0.000 0.000 0.286 43 T C -0.163 174.442 174.700 -0.159 0.000 0.997 43 T CA -0.341 61.712 62.100 -0.078 0.000 0.982 43 T CB 1.365 70.177 68.868 -0.093 0.000 1.027 43 T HN 0.909 nan 8.240 nan 0.000 0.529 44 A N 0.359 123.045 122.820 -0.223 0.000 2.488 44 A HA 0.537 4.858 4.320 0.000 0.000 0.298 44 A C -1.036 176.266 177.584 -0.469 0.000 1.044 44 A CA -0.789 50.941 52.037 -0.511 0.000 0.693 44 A CB 1.618 20.232 19.000 -0.643 0.000 1.272 44 A HN 0.826 nan 8.150 nan 0.000 0.402 45 D N 2.709 122.787 120.400 -0.537 0.000 2.485 45 D HA 0.411 5.051 4.640 0.000 0.000 0.221 45 D C -0.476 175.650 176.300 -0.291 0.000 1.112 45 D CA 0.231 54.048 54.000 -0.305 0.000 0.911 45 D CB 1.052 41.733 40.800 -0.198 0.000 1.019 45 D HN 0.220 nan 8.370 nan 0.000 0.516 46 V N 3.804 123.608 119.914 -0.184 0.000 2.607 46 V HA 0.331 4.451 4.120 0.000 0.000 0.289 46 V C 0.607 176.786 176.094 0.141 0.000 1.053 46 V CA -0.552 61.731 62.300 -0.029 0.000 0.996 46 V CB 1.441 33.252 31.823 -0.021 0.000 0.995 46 V HN 0.457 nan 8.190 nan 0.000 0.476 47 N N 2.307 121.139 118.700 0.220 0.000 2.599 47 N HA 0.527 5.267 4.740 0.000 0.000 0.283 47 N C -0.587 175.150 175.510 0.380 0.000 1.160 47 N CA -0.118 53.088 53.050 0.260 0.000 0.869 47 N CB 2.081 40.635 38.487 0.112 0.000 1.448 47 N HN 0.825 nan 8.380 nan 0.000 0.535 48 A N 1.259 124.336 122.820 0.428 0.000 2.252 48 A HA 0.856 5.177 4.320 0.000 0.000 0.305 48 A C -0.283 177.500 177.584 0.331 0.000 1.097 48 A CA -0.112 52.175 52.037 0.417 0.000 0.849 48 A CB 0.737 20.007 19.000 0.450 0.000 1.142 48 A HN 0.428 nan 8.150 nan 0.000 0.499 49 T N 0.958 115.701 114.554 0.315 0.000 3.842 49 T HA 0.357 4.707 4.350 0.000 0.000 0.336 49 T C -1.129 173.675 174.700 0.172 0.000 0.900 49 T CA -0.185 62.053 62.100 0.231 0.000 1.022 49 T CB 0.137 69.165 68.868 0.267 0.000 1.068 49 T HN 0.404 nan 8.240 nan 0.000 0.464 50 I N 3.411 124.053 120.570 0.119 0.000 2.365 50 I HA 0.348 4.518 4.170 0.000 0.000 0.291 50 I C 0.173 176.210 176.117 -0.133 0.000 1.004 50 I CA -0.606 60.657 61.300 -0.061 0.000 1.311 50 I CB 0.705 38.585 38.000 -0.199 0.000 1.401 50 I HN 0.465 nan 8.210 nan 0.000 0.491 51 N N 6.658 125.244 118.700 -0.190 0.000 2.589 51 N HA 0.466 5.206 4.740 0.000 0.000 0.232 51 N C -0.725 174.689 175.510 -0.161 0.000 1.015 51 N CA -0.374 52.631 53.050 -0.075 0.000 0.931 51 N CB 0.405 38.891 38.487 -0.001 0.000 1.150 51 N HN 0.279 nan 8.380 nan 0.000 0.512 52 F N 0.233 120.200 119.950 0.029 0.000 2.251 52 F HA 0.419 4.946 4.527 0.000 0.000 0.302 52 F C 0.898 176.692 175.800 -0.010 0.000 1.143 52 F CA -0.338 57.663 58.000 0.001 0.000 1.104 52 F CB 0.752 39.771 39.000 0.032 0.000 1.516 52 F HN 0.247 nan 8.300 nan 0.000 0.511 53 D N -0.013 120.528 120.400 0.236 0.000 2.891 53 D HA 0.392 5.032 4.640 0.000 0.000 0.224 53 D C -2.063 174.297 176.300 0.100 0.000 1.321 53 D CA -0.123 53.934 54.000 0.095 0.000 0.929 53 D CB 1.942 42.751 40.800 0.015 0.000 1.551 53 D HN 0.234 nan 8.370 nan 0.000 0.574 54 V N 2.811 122.786 119.914 0.102 0.000 2.409 54 V HA 0.736 4.857 4.120 0.000 0.000 0.290 54 V C 1.141 177.281 176.094 0.077 0.000 1.017 54 V CA 0.118 62.481 62.300 0.105 0.000 0.841 54 V CB 0.616 32.530 31.823 0.152 0.000 1.003 54 V HN 0.931 nan 8.190 nan 0.000 0.426 55 G N 4.420 113.262 108.800 0.070 0.000 2.575 55 G HA2 -0.084 3.876 3.960 0.000 0.000 0.267 55 G HA3 -0.084 3.876 3.960 0.000 0.000 0.267 55 G C 0.939 175.860 174.900 0.035 0.000 1.264 55 G CA 0.320 45.453 45.100 0.054 0.000 0.935 55 G HN 1.535 nan 8.290 nan 0.000 0.568 56 G N -0.379 108.433 108.800 0.020 0.000 2.598 56 G HA2 0.236 4.196 3.960 0.000 0.000 0.215 56 G HA3 0.236 4.196 3.960 0.000 0.000 0.215 56 G C 0.747 175.628 174.900 -0.031 0.000 1.131 56 G CA 1.315 46.416 45.100 0.003 0.000 0.785 56 G HN 0.709 nan 8.290 nan 0.000 0.539 57 K N 1.926 122.298 120.400 -0.047 0.000 2.378 57 K HA 0.230 4.551 4.320 0.000 0.000 0.288 57 K C -0.068 176.368 176.600 -0.274 0.000 1.057 57 K CA 0.085 56.271 56.287 -0.169 0.000 0.971 57 K CB 0.756 33.168 32.500 -0.147 0.000 0.975 57 K HN -0.081 nan 8.250 nan 0.000 0.475 58 K N 4.012 124.234 120.400 -0.298 0.000 2.285 58 K HA 0.169 4.490 4.320 0.000 0.000 0.286 58 K C -0.401 176.013 176.600 -0.311 0.000 1.072 58 K CA -0.261 55.906 56.287 -0.199 0.000 0.913 58 K CB 0.599 33.045 32.500 -0.090 0.000 1.067 58 K HN 0.506 nan 8.250 nan 0.000 0.479 59 H N 1.661 120.784 119.070 0.089 0.000 2.589 59 H HA 0.243 4.799 4.556 0.000 0.000 0.335 59 H C 0.083 175.492 175.328 0.135 0.000 1.019 59 H CA -0.799 55.297 56.048 0.080 0.000 1.213 59 H CB 1.908 31.695 29.762 0.042 0.000 1.472 59 H HN 0.297 nan 8.280 nan 0.000 0.508 60 K N 1.475 121.993 120.400 0.197 0.000 2.132 60 K HA 0.328 4.648 4.320 0.000 0.000 0.240 60 K C -0.820 175.837 176.600 0.095 0.000 1.036 60 K CA -0.423 55.938 56.287 0.124 0.000 0.888 60 K CB 0.449 32.976 32.500 0.045 0.000 1.071 60 K HN 0.364 nan 8.250 nan 0.000 0.502 61 L N 2.299 123.561 121.223 0.066 0.000 2.845 61 L HA 0.316 4.657 4.340 0.000 0.000 0.253 61 L C -2.114 174.758 176.870 0.003 0.000 0.959 61 L CA -0.235 54.615 54.840 0.016 0.000 1.001 61 L CB 1.032 43.228 42.059 0.228 0.000 1.374 61 L HN 0.637 nan 8.230 nan 0.000 0.469 62 N N 5.234 123.900 118.700 -0.058 0.000 2.419 62 N HA 0.563 5.303 4.740 0.000 0.000 0.264 62 N C -0.935 174.567 175.510 -0.014 0.000 1.031 62 N CA -0.355 52.707 53.050 0.019 0.000 0.951 62 N CB 2.222 40.759 38.487 0.083 0.000 1.101 62 N HN 0.379 nan 8.380 nan 0.000 0.488 63 L N 1.135 122.350 121.223 -0.013 0.000 2.331 63 L HA 0.324 4.665 4.340 0.000 0.000 0.275 63 L C 0.384 177.236 176.870 -0.031 0.000 1.022 63 L CA -0.386 54.385 54.840 -0.115 0.000 0.812 63 L CB 1.329 43.246 42.059 -0.236 0.000 1.257 63 L HN 0.438 nan 8.230 nan 0.000 0.435 64 D N 1.506 121.829 120.400 -0.128 0.000 2.453 64 D HA 0.168 4.808 4.640 0.000 0.000 0.238 64 D C 0.010 176.244 176.300 -0.110 0.000 1.088 64 D CA -0.223 53.752 54.000 -0.041 0.000 0.854 64 D CB 0.755 41.537 40.800 -0.029 0.000 1.076 64 D HN 0.336 nan 8.370 nan 0.000 0.533 65 F N 2.288 122.272 119.950 0.058 0.000 2.776 65 F HA 0.205 4.732 4.527 0.000 0.000 0.300 65 F C 2.039 177.885 175.800 0.077 0.000 1.116 65 F CA 0.712 58.764 58.000 0.086 0.000 1.375 65 F CB 0.400 39.452 39.000 0.088 0.000 1.109 65 F HN 0.680 nan 8.300 nan 0.000 0.585 66 G N 1.526 110.427 108.800 0.168 0.000 2.561 66 G HA2 -0.327 3.634 3.960 0.000 0.000 0.289 66 G HA3 -0.327 3.634 3.960 0.000 0.000 0.289 66 G C -0.303 174.644 174.900 0.077 0.000 1.169 66 G CA 0.073 45.234 45.100 0.101 0.000 0.980 66 G HN 0.459 nan 8.290 nan 0.000 0.550 67 L N -1.378 119.896 121.223 0.085 0.000 2.329 67 L HA 0.891 5.231 4.340 0.000 0.000 0.279 67 L C 0.089 177.027 176.870 0.114 0.000 1.014 67 L CA -1.235 53.629 54.840 0.039 0.000 0.814 67 L CB 1.644 43.713 42.059 0.018 0.000 1.257 67 L HN 0.588 nan 8.230 nan 0.000 0.424 68 L N 2.735 123.965 121.223 0.011 0.000 2.334 68 L HA 0.516 4.856 4.340 0.000 0.000 0.277 68 L C -0.063 176.909 176.870 0.170 0.000 1.075 68 L CA -0.302 54.558 54.840 0.033 0.000 0.804 68 L CB 1.816 43.775 42.059 -0.166 0.000 1.174 68 L HN 0.778 nan 8.230 nan 0.000 0.438 69 T N 1.358 116.125 114.554 0.354 0.000 3.585 69 T HA 0.191 4.542 4.350 0.000 0.000 0.252 69 T C -1.951 172.950 174.700 0.335 0.000 1.382 69 T CA -0.880 61.392 62.100 0.288 0.000 1.584 69 T CB 0.864 69.873 68.868 0.235 0.000 0.892 69 T HN 0.342 nan 8.240 nan 0.000 0.671 70 P HA -0.221 nan 4.420 nan 0.000 0.219 70 P C 1.042 178.525 177.300 0.305 0.000 1.149 70 P CA 1.281 64.587 63.100 0.342 0.000 0.835 70 P CB 0.075 32.021 31.700 0.411 0.000 0.778 71 H N -2.219 116.971 119.070 0.200 0.000 2.539 71 H HA 0.140 4.696 4.556 -0.000 0.000 0.267 71 H C 0.898 176.307 175.328 0.135 0.000 0.982 71 H CA 1.180 57.329 56.048 0.169 0.000 1.146 71 H CB 0.017 29.893 29.762 0.190 0.000 1.382 71 H HN -0.033 nan 8.280 nan 0.000 0.577 72 T N -2.054 112.550 114.554 0.082 0.000 3.388 72 T HA 0.168 4.518 4.350 0.000 0.000 0.254 72 T C 0.108 174.815 174.700 0.012 0.000 1.002 72 T CA -0.386 61.717 62.100 0.005 0.000 1.164 72 T CB 0.815 69.712 68.868 0.048 0.000 1.184 72 T HN -0.024 nan 8.240 nan 0.000 0.399 73 K N 1.244 121.678 120.400 0.057 0.000 2.156 73 K HA 0.667 4.987 4.320 0.000 0.000 0.271 73 K C 0.434 177.121 176.600 0.146 0.000 0.995 73 K CA -0.179 56.069 56.287 -0.065 0.000 0.890 73 K CB 1.412 33.645 32.500 -0.446 0.000 1.073 73 K HN 0.239 nan 8.250 nan 0.000 0.454 74 A N 3.969 126.839 122.820 0.084 0.000 1.944 74 A HA 0.167 4.487 4.320 0.000 0.000 0.207 74 A C 0.179 177.934 177.584 0.286 0.000 1.265 74 A CA 0.316 52.468 52.037 0.192 0.000 0.712 74 A CB 0.429 19.477 19.000 0.080 0.000 0.915 74 A HN 0.423 nan 8.150 nan 0.000 0.470 75 V N 0.096 120.085 119.914 0.126 0.000 2.612 75 V HA 0.552 4.672 4.120 0.000 0.000 0.301 75 V C -0.979 175.197 176.094 0.137 0.000 1.046 75 V CA -0.443 61.967 62.300 0.184 0.000 0.946 75 V CB 1.052 32.913 31.823 0.064 0.000 1.003 75 V HN 0.407 nan 8.190 nan 0.000 0.459 76 Y N 1.305 121.679 120.300 0.124 0.000 2.581 76 Y HA 0.611 5.161 4.550 0.000 0.000 0.345 76 Y C -0.022 176.078 175.900 0.333 0.000 1.036 76 Y CA -1.000 57.231 58.100 0.219 0.000 1.042 76 Y CB 1.961 40.586 38.460 0.275 0.000 1.289 76 Y HN 0.488 nan 8.280 nan 0.000 0.471 77 Q N 3.100 123.167 119.800 0.444 0.000 2.394 77 Q HA 0.446 4.786 4.340 0.000 0.000 0.273 77 Q C -2.719 173.301 176.000 0.033 0.000 1.089 77 Q CA -2.367 53.620 55.803 0.305 0.000 0.812 77 Q CB 2.907 31.745 28.738 0.166 0.000 1.353 77 Q HN 0.295 nan 8.270 nan 0.000 0.438 78 P HA -0.009 nan 4.420 nan 0.000 0.269 78 P C -1.140 176.003 177.300 -0.262 0.000 1.209 78 P CA 0.059 62.697 63.100 -0.770 0.000 0.776 78 P CB 0.435 31.609 31.700 -0.877 0.000 0.876 79 R N 1.729 122.123 120.500 -0.177 0.000 2.471 79 R HA 0.623 4.963 4.340 0.000 0.000 0.292 79 R C 0.177 176.426 176.300 -0.084 0.000 1.192 79 R CA -0.527 55.529 56.100 -0.073 0.000 1.257 79 R CB -0.478 29.813 30.300 -0.015 0.000 1.130 79 R HN 0.715 nan 8.270 nan 0.000 0.558 80 G N 0.680 109.425 108.800 -0.092 0.000 2.692 80 G HA2 0.238 4.198 3.960 0.000 0.000 0.686 80 G HA3 0.238 4.198 3.960 0.000 0.000 0.686 80 G C -0.914 173.928 174.900 -0.097 0.000 1.243 80 G CA -0.554 44.504 45.100 -0.070 0.000 0.782 80 G HN 1.002 nan 8.290 nan 0.000 0.625 81 A N 0.594 123.381 122.820 -0.055 0.000 2.550 81 A HA 0.652 4.973 4.320 0.000 0.000 0.282 81 A C -0.746 176.858 177.584 0.033 0.000 1.071 81 A CA -0.162 51.840 52.037 -0.058 0.000 0.838 81 A CB 0.837 19.738 19.000 -0.166 0.000 1.361 81 A HN 2.183 nan 8.150 nan 0.000 0.408 82 F N 3.051 122.962 119.950 -0.066 0.000 2.467 82 F HA 0.534 5.061 4.527 0.000 0.000 0.362 82 F C 1.086 176.870 175.800 -0.027 0.000 1.090 82 F CA 0.634 58.609 58.000 -0.043 0.000 1.202 82 F CB 0.905 39.885 39.000 -0.034 0.000 1.113 82 F HN 1.491 nan 8.300 nan 0.000 0.541 83 G N 3.118 111.617 108.800 -0.503 0.000 2.184 83 G HA2 0.045 4.005 3.960 0.000 0.000 0.206 83 G HA3 0.045 4.005 3.960 0.000 0.000 0.206 83 G C 0.099 174.838 174.900 -0.268 0.000 0.995 83 G CA -0.246 44.486 45.100 -0.614 0.000 0.651 83 G HN 1.398 nan 8.290 nan 0.000 0.511 84 G N -0.429 108.276 108.800 -0.160 0.000 3.015 84 G HA2 0.784 4.744 3.960 0.000 0.000 0.281 84 G HA3 0.784 4.744 3.960 0.000 0.000 0.281 84 G C 0.472 175.324 174.900 -0.080 0.000 1.386 84 G CA 0.699 45.727 45.100 -0.121 0.000 0.959 84 G HN 0.896 nan 8.290 nan 0.000 0.522 85 S N -0.729 114.928 115.700 -0.072 0.000 2.700 85 S HA 0.335 4.805 4.470 0.000 0.000 0.250 85 S C 0.111 174.695 174.600 -0.027 0.000 1.355 85 S CA 0.154 58.326 58.200 -0.048 0.000 0.970 85 S CB 0.342 63.517 63.200 -0.043 0.000 0.975 85 S HN 0.701 nan 8.310 nan 0.000 0.563 86 E N -0.014 120.176 120.200 -0.017 0.000 2.378 86 E HA 0.427 4.777 4.350 0.000 0.000 0.265 86 E C -0.681 175.918 176.600 -0.001 0.000 0.932 86 E CA -0.595 55.799 56.400 -0.009 0.000 0.795 86 E CB 0.509 30.204 29.700 -0.009 0.000 1.296 86 E HN 0.489 nan 8.360 nan 0.000 0.438 87 N N 0.214 118.916 118.700 0.002 0.000 2.741 87 N HA -0.220 4.520 4.740 0.000 0.000 0.251 87 N C 0.094 175.619 175.510 0.024 0.000 1.112 87 N CA 1.091 54.146 53.050 0.007 0.000 0.750 87 N CB -1.524 36.962 38.487 -0.001 0.000 1.119 87 N HN 0.411 nan 8.380 nan 0.000 0.561 88 A N -0.882 121.957 122.820 0.031 0.000 2.169 88 A HA 0.114 4.434 4.320 0.000 0.000 0.210 88 A C 2.059 179.698 177.584 0.093 0.000 1.168 88 A CA 1.465 53.547 52.037 0.075 0.000 0.813 88 A CB -0.073 18.953 19.000 0.044 0.000 0.861 88 A HN 0.306 nan 8.150 nan 0.000 0.481 89 T N 1.721 116.297 114.554 0.036 0.000 2.881 89 T HA -0.133 4.217 4.350 0.000 0.000 0.270 89 T C 1.146 175.902 174.700 0.093 0.000 1.068 89 T CA 1.644 63.755 62.100 0.017 0.000 1.131 89 T CB -0.480 68.384 68.868 -0.008 0.000 0.871 89 T HN 0.731 nan 8.240 nan 0.000 0.479 90 N N 0.801 119.569 118.700 0.113 0.000 2.535 90 N HA 0.146 4.886 4.740 0.000 0.000 0.294 90 N C 0.849 176.450 175.510 0.152 0.000 1.408 90 N CA -0.171 52.971 53.050 0.153 0.000 0.927 90 N CB -0.255 38.287 38.487 0.091 0.000 1.276 90 N HN 0.372 nan 8.380 nan 0.000 0.505 91 L N -0.893 120.494 121.223 0.273 0.000 2.470 91 L HA 0.389 4.729 4.340 0.000 0.000 0.219 91 L C -0.227 176.897 176.870 0.424 0.000 1.071 91 L CA 0.391 55.372 54.840 0.235 0.000 0.850 91 L CB 0.106 42.376 42.059 0.351 0.000 1.040 91 L HN -0.019 nan 8.230 nan 0.000 0.475 92 F N -0.428 119.729 119.950 0.346 0.000 2.509 92 F HA 0.586 5.113 4.527 0.000 0.000 0.334 92 F C -0.260 175.818 175.800 0.463 0.000 1.060 92 F CA -0.955 57.307 58.000 0.436 0.000 0.997 92 F CB 1.446 40.662 39.000 0.360 0.000 1.271 92 F HN -0.368 nan 8.300 nan 0.000 0.488 93 L N 2.047 123.561 121.223 0.484 0.000 2.676 93 L HA 0.443 4.783 4.340 0.000 0.000 0.262 93 L C -1.815 175.139 176.870 0.141 0.000 0.932 93 L CA -0.228 54.758 54.840 0.244 0.000 0.932 93 L CB 1.794 43.696 42.059 -0.263 0.000 1.355 93 L HN 0.566 nan 8.230 nan 0.000 0.421 94 L N 3.928 125.266 121.223 0.192 0.000 2.280 94 L HA 0.640 4.980 4.340 0.000 0.000 0.287 94 L C -0.564 176.318 176.870 0.021 0.000 1.023 94 L CA -0.077 54.706 54.840 -0.094 0.000 0.819 94 L CB 1.252 42.947 42.059 -0.606 0.000 1.212 94 L HN 0.773 nan 8.230 nan 0.000 0.420 95 E N 4.958 125.141 120.200 -0.028 0.000 2.171 95 E HA 0.420 4.770 4.350 0.000 0.000 0.271 95 E C -1.122 175.479 176.600 0.001 0.000 0.916 95 E CA -0.753 55.662 56.400 0.024 0.000 0.774 95 E CB 1.446 31.126 29.700 -0.033 0.000 1.128 95 E HN 0.650 nan 8.360 nan 0.000 0.403 96 L N 4.721 125.975 121.223 0.053 0.000 2.452 96 L HA 0.270 4.610 4.340 0.000 0.000 0.267 96 L C 0.200 177.034 176.870 -0.060 0.000 1.188 96 L CA -0.049 54.787 54.840 -0.007 0.000 0.821 96 L CB 0.323 42.397 42.059 0.025 0.000 1.102 96 L HN 0.603 nan 8.230 nan 0.000 0.470 97 L N 0.178 121.322 121.223 -0.132 0.000 2.794 97 L HA 0.575 4.915 4.340 0.000 0.000 0.247 97 L C 1.259 178.038 176.870 -0.152 0.000 1.765 97 L CA -0.449 54.318 54.840 -0.121 0.000 1.880 97 L CB 0.061 42.051 42.059 -0.114 0.000 2.151 97 L HN 0.655 nan 8.230 nan 0.000 0.571 98 G N -0.284 108.438 108.800 -0.130 0.000 2.393 98 G HA2 0.159 4.120 3.960 0.000 0.000 0.151 98 G HA3 0.159 4.120 3.960 0.000 0.000 0.151 98 G C 0.108 174.905 174.900 -0.172 0.000 1.696 98 G CA 0.328 45.354 45.100 -0.124 0.000 1.004 98 G HN 0.682 nan 8.290 nan 0.000 0.430 99 A N -0.608 122.130 122.820 -0.136 0.000 2.476 99 A HA 0.504 4.824 4.320 0.000 0.000 0.275 99 A C 1.483 178.939 177.584 -0.213 0.000 1.133 99 A CA 0.868 52.812 52.037 -0.154 0.000 0.797 99 A CB -0.852 18.090 19.000 -0.097 0.000 1.081 99 A HN 2.320 nan 8.150 nan 0.000 0.510 100 G N 2.477 111.083 108.800 -0.323 0.000 2.416 100 G HA2 -0.205 3.755 3.960 0.000 0.000 0.301 100 G HA3 -0.205 3.755 3.960 0.000 0.000 0.301 100 G C -0.044 174.672 174.900 -0.306 0.000 0.985 100 G CA 0.997 45.881 45.100 -0.361 0.000 0.934 100 G HN 1.368 nan 8.290 nan 0.000 0.513 101 E N -1.455 118.492 120.200 -0.421 0.000 2.413 101 E HA 0.779 5.130 4.350 0.000 0.000 0.277 101 E C -0.669 175.823 176.600 -0.181 0.000 0.958 101 E CA -1.381 54.883 56.400 -0.226 0.000 0.779 101 E CB 1.569 31.159 29.700 -0.184 0.000 1.278 101 E HN 0.150 nan 8.360 nan 0.000 0.456 102 L N 0.452 121.595 121.223 -0.133 0.000 2.303 102 L HA 0.911 5.251 4.340 0.000 0.000 0.266 102 L C -0.713 176.062 176.870 -0.159 0.000 1.011 102 L CA -1.095 53.684 54.840 -0.102 0.000 0.818 102 L CB 2.004 44.045 42.059 -0.030 0.000 1.326 102 L HN 0.862 nan 8.230 nan 0.000 0.435 103 A N 1.802 124.541 122.820 -0.135 0.000 2.520 103 A HA 0.751 5.071 4.320 0.000 0.000 0.298 103 A C -1.905 175.587 177.584 -0.153 0.000 1.051 103 A CA -0.387 51.559 52.037 -0.151 0.000 0.690 103 A CB 1.923 20.845 19.000 -0.130 0.000 1.281 103 A HN 0.471 nan 8.150 nan 0.000 0.402 104 L N 1.241 122.360 121.223 -0.173 0.000 2.381 104 L HA 0.828 5.168 4.340 0.000 0.000 0.274 104 L C -0.747 175.998 176.870 -0.210 0.000 0.988 104 L CA 0.270 55.026 54.840 -0.141 0.000 0.824 104 L CB 2.296 44.314 42.059 -0.068 0.000 1.263 104 L HN 0.590 nan 8.230 nan 0.000 0.410 105 T N 6.591 121.034 114.554 -0.186 0.000 2.892 105 T HA 0.437 4.787 4.350 0.000 0.000 0.311 105 T C -0.517 174.127 174.700 -0.092 0.000 1.033 105 T CA -0.212 61.737 62.100 -0.251 0.000 0.991 105 T CB 0.697 69.305 68.868 -0.434 0.000 0.981 105 T HN 0.680 nan 8.240 nan 0.000 0.457 106 M N 5.113 124.661 119.600 -0.088 0.000 2.114 106 M HA 0.467 4.947 4.480 0.000 0.000 0.332 106 M C 0.024 176.374 176.300 0.084 0.000 1.014 106 M CA -0.815 54.311 55.300 -0.290 0.000 0.956 106 M CB 0.978 33.011 32.600 -0.947 0.000 1.551 106 M HN 0.578 nan 8.290 nan 0.000 0.427 107 R N 3.271 123.886 120.500 0.192 0.000 2.543 107 R HA 0.370 4.711 4.340 0.000 0.000 0.277 107 R C -0.023 176.349 176.300 0.121 0.000 1.074 107 R CA -0.497 55.717 56.100 0.191 0.000 1.076 107 R CB 0.767 31.058 30.300 -0.015 0.000 0.993 107 R HN 0.705 nan 8.270 nan 0.000 0.459 108 S N 0.959 116.765 115.700 0.177 0.000 2.598 108 S HA 0.139 4.609 4.470 0.000 0.000 0.267 108 S C -0.300 174.354 174.600 0.090 0.000 1.189 108 S CA -0.354 57.929 58.200 0.137 0.000 1.010 108 S CB 0.269 63.570 63.200 0.168 0.000 1.084 108 S HN 0.699 nan 8.310 nan 0.000 0.541 109 K N -0.273 120.172 120.400 0.075 0.000 3.071 109 K HA -0.148 4.172 4.320 0.000 0.000 0.262 109 K C -0.982 175.631 176.600 0.021 0.000 0.977 109 K CA 1.193 57.509 56.287 0.048 0.000 0.721 109 K CB -1.495 31.036 32.500 0.052 0.000 1.293 109 K HN 0.467 nan 8.250 nan 0.000 0.475 110 K N 0.008 120.419 120.400 0.018 0.000 2.222 110 K HA 0.223 4.543 4.320 0.000 0.000 0.369 110 K C -1.244 175.364 176.600 0.013 0.000 1.625 110 K CA -0.059 56.229 56.287 0.001 0.000 1.097 110 K CB 0.389 32.876 32.500 -0.022 0.000 1.406 110 K HN 0.150 nan 8.250 nan 0.000 0.474 111 L N 4.957 126.178 121.223 -0.004 0.000 2.513 111 L HA 0.214 4.554 4.340 0.000 0.000 0.272 111 L C -1.299 175.551 176.870 -0.033 0.000 1.187 111 L CA -1.080 53.739 54.840 -0.034 0.000 0.895 111 L CB 0.769 42.791 42.059 -0.063 0.000 1.147 111 L HN 0.505 nan 8.230 nan 0.000 0.483 112 P HA 0.185 nan 4.420 nan 0.000 0.262 112 P C -0.190 177.030 177.300 -0.135 0.000 1.304 112 P CA 0.426 63.541 63.100 0.024 0.000 0.859 112 P CB 0.220 32.101 31.700 0.300 0.000 1.310 113 I N 1.845 122.266 120.570 -0.248 0.000 2.359 113 I HA 0.183 4.353 4.170 0.000 0.000 0.284 113 I C 1.277 177.289 176.117 -0.175 0.000 1.018 113 I CA -0.617 60.518 61.300 -0.275 0.000 1.173 113 I CB 1.484 39.239 38.000 -0.409 0.000 1.326 113 I HN -0.133 nan 8.210 nan 0.000 0.462 114 N N 8.087 126.705 118.700 -0.137 0.000 2.354 114 N HA -0.092 4.648 4.740 0.000 0.000 0.179 114 N C 1.243 176.686 175.510 -0.111 0.000 1.021 114 N CA 1.003 53.993 53.050 -0.100 0.000 0.887 114 N CB -0.037 38.405 38.487 -0.074 0.000 0.974 114 N HN 0.633 nan 8.380 nan 0.000 0.437 115 I N 1.060 121.536 120.570 -0.157 0.000 3.251 115 I HA -0.124 4.046 4.170 0.000 0.000 0.297 115 I C -0.067 175.966 176.117 -0.140 0.000 1.309 115 I CA 0.580 61.767 61.300 -0.188 0.000 1.356 115 I CB -1.322 36.471 38.000 -0.345 0.000 1.054 115 I HN -0.011 nan 8.210 nan 0.000 0.551 116 T N 2.274 116.767 114.554 -0.102 0.000 2.733 116 T HA 0.565 4.915 4.350 0.000 0.000 0.294 116 T C 0.417 175.094 174.700 -0.039 0.000 0.956 116 T CA -0.508 61.555 62.100 -0.062 0.000 0.987 116 T CB 1.160 69.993 68.868 -0.059 0.000 0.920 116 T HN 0.300 nan 8.240 nan 0.000 0.470 117 A N 2.851 125.657 122.820 -0.024 0.000 2.351 117 A HA 0.619 4.940 4.320 0.000 0.000 0.257 117 A C 1.753 179.331 177.584 -0.009 0.000 1.087 117 A CA -0.142 51.886 52.037 -0.015 0.000 0.798 117 A CB -0.033 18.964 19.000 -0.006 0.000 1.033 117 A HN 0.924 nan 8.150 nan 0.000 0.488 118 G N 0.039 108.834 108.800 -0.008 0.000 2.550 118 G HA2 -0.261 3.699 3.960 0.000 0.000 0.222 118 G HA3 -0.261 3.699 3.960 0.000 0.000 0.222 118 G C 1.137 176.037 174.900 0.001 0.000 1.113 118 G CA 1.302 46.399 45.100 -0.005 0.000 0.748 118 G HN 0.856 nan 8.290 nan 0.000 0.585 119 E N 1.044 121.247 120.200 0.003 0.000 2.035 119 E HA -0.175 4.175 4.350 0.000 0.000 0.204 119 E C 1.693 178.301 176.600 0.014 0.000 1.025 119 E CA 1.358 57.763 56.400 0.009 0.000 0.835 119 E CB -0.326 29.381 29.700 0.011 0.000 0.764 119 E HN 0.806 nan 8.360 nan 0.000 0.457 120 E N 2.178 122.388 120.200 0.016 0.000 2.676 120 E HA -0.059 4.291 4.350 0.000 0.000 0.318 120 E C 1.245 177.856 176.600 0.019 0.000 1.514 120 E CA -0.051 56.364 56.400 0.024 0.000 1.667 120 E CB 0.103 29.821 29.700 0.029 0.000 1.336 120 E HN 0.222 nan 8.360 nan 0.000 0.492 121 Q N 1.913 121.724 119.800 0.019 0.000 2.167 121 Q HA -0.156 4.185 4.340 0.000 0.000 0.202 121 Q C 0.765 176.786 176.000 0.036 0.000 0.970 121 Q CA 0.816 56.629 55.803 0.018 0.000 0.855 121 Q CB 0.207 28.954 28.738 0.015 0.000 0.911 121 Q HN 0.562 nan 8.270 nan 0.000 0.438 122 Q N 1.344 121.177 119.800 0.055 0.000 2.307 122 Q HA 0.247 4.587 4.340 0.000 0.000 0.261 122 Q C -1.070 174.998 176.000 0.113 0.000 1.051 122 Q CA -0.102 55.761 55.803 0.100 0.000 0.911 122 Q CB 1.051 29.856 28.738 0.111 0.000 1.227 122 Q HN -0.010 nan 8.270 nan 0.000 0.418 123 V N 2.406 122.391 119.914 0.119 0.000 2.769 123 V HA 0.545 4.665 4.120 0.000 0.000 0.312 123 V C -0.157 175.983 176.094 0.077 0.000 1.061 123 V CA -0.783 61.568 62.300 0.085 0.000 0.931 123 V CB 2.096 33.930 31.823 0.018 0.000 1.010 123 V HN 0.857 nan 8.190 nan 0.000 0.433 124 S N 2.729 118.445 115.700 0.025 0.000 2.568 124 S HA 0.759 5.229 4.470 0.000 0.000 0.302 124 S C -0.835 173.771 174.600 0.011 0.000 1.082 124 S CA -0.507 57.596 58.200 -0.161 0.000 1.009 124 S CB 1.852 64.866 63.200 -0.309 0.000 1.069 124 S HN 0.654 nan 8.310 nan 0.000 0.500 125 L N 2.196 123.317 121.223 -0.171 0.000 2.318 125 L HA 0.483 4.823 4.340 0.000 0.000 0.277 125 L C 0.667 177.355 176.870 -0.303 0.000 1.008 125 L CA -0.049 54.610 54.840 -0.303 0.000 0.846 125 L CB 0.851 42.609 42.059 -0.503 0.000 1.220 125 L HN 0.760 nan 8.230 nan 0.000 0.423 126 E N 1.501 121.558 120.200 -0.238 0.000 2.042 126 E HA 0.060 4.410 4.350 0.000 0.000 0.189 126 E C 0.039 176.550 176.600 -0.147 0.000 0.974 126 E CA 1.056 57.363 56.400 -0.155 0.000 0.806 126 E CB 0.370 30.021 29.700 -0.081 0.000 0.769 126 E HN 0.768 nan 8.360 nan 0.000 0.451 127 S N -1.628 113.966 115.700 -0.177 0.000 2.688 127 S HA 0.612 5.083 4.470 0.000 0.000 0.275 127 S C -1.097 173.375 174.600 -0.214 0.000 1.175 127 S CA -1.109 56.965 58.200 -0.210 0.000 0.818 127 S CB 2.056 65.129 63.200 -0.212 0.000 1.157 127 S HN -0.080 nan 8.310 nan 0.000 0.482 128 V N 1.125 120.889 119.914 -0.249 0.000 2.760 128 V HA 0.589 4.709 4.120 0.000 0.000 0.309 128 V C -1.593 174.463 176.094 -0.064 0.000 1.077 128 V CA -0.676 61.577 62.300 -0.079 0.000 0.910 128 V CB 1.990 33.847 31.823 0.056 0.000 1.008 128 V HN 0.949 nan 8.190 nan 0.000 0.424 129 D N 2.624 123.077 120.400 0.089 0.000 2.408 129 D HA 0.518 5.158 4.640 0.000 0.000 0.243 129 D C -0.887 175.521 176.300 0.181 0.000 1.075 129 D CA -0.161 53.902 54.000 0.106 0.000 0.832 129 D CB 2.583 43.520 40.800 0.229 0.000 1.162 129 D HN 0.273 nan 8.370 nan 0.000 0.515 130 V N 3.829 123.819 119.914 0.128 0.000 2.304 130 V HA 0.205 4.325 4.120 0.000 0.000 0.278 130 V C -0.653 175.542 176.094 0.169 0.000 1.018 130 V CA -0.760 61.695 62.300 0.258 0.000 0.814 130 V CB -0.040 32.001 31.823 0.363 0.000 1.021 130 V HN 0.354 nan 8.190 nan 0.000 0.440 131 Y N 4.075 124.496 120.300 0.200 0.000 2.309 131 Y HA 0.542 5.092 4.550 0.000 0.000 0.327 131 Y C -0.220 175.712 175.900 0.053 0.000 1.172 131 Y CA -0.776 57.408 58.100 0.140 0.000 1.280 131 Y CB 1.058 39.582 38.460 0.106 0.000 1.234 131 Y HN 0.598 nan 8.280 nan 0.000 0.512 132 F N 3.269 123.156 119.950 -0.105 0.000 2.941 132 F HA 0.297 4.824 4.527 0.000 0.000 0.359 132 F C -0.782 174.987 175.800 -0.051 0.000 1.231 132 F CA -0.748 57.057 58.000 -0.326 0.000 1.089 132 F CB 0.919 39.218 39.000 -1.168 0.000 1.407 132 F HN 0.473 nan 8.300 nan 0.000 0.538 133 Q N 4.500 124.145 119.800 -0.258 0.000 2.294 133 Q HA 0.185 4.525 4.340 0.000 0.000 0.257 133 Q C -0.262 175.624 176.000 -0.189 0.000 0.955 133 Q CA -0.480 55.264 55.803 -0.098 0.000 0.936 133 Q CB 0.811 29.497 28.738 -0.087 0.000 1.188 133 Q HN 0.658 nan 8.270 nan 0.000 0.420 134 D N 2.058 122.561 120.400 0.172 0.000 2.364 134 D HA -0.092 4.548 4.640 0.000 0.000 0.236 134 D C 0.716 177.104 176.300 0.147 0.000 1.221 134 D CA 0.041 54.240 54.000 0.332 0.000 0.891 134 D CB 1.074 42.265 40.800 0.651 0.000 1.190 134 D HN 0.423 nan 8.370 nan 0.000 0.449 135 V N 1.614 121.661 119.914 0.222 0.000 2.626 135 V HA -0.172 3.948 4.120 0.000 0.000 0.252 135 V C 1.706 177.707 176.094 -0.155 0.000 1.067 135 V CA 1.195 63.429 62.300 -0.110 0.000 1.081 135 V CB -0.679 30.960 31.823 -0.307 0.000 0.686 135 V HN 0.471 nan 8.190 nan 0.000 0.468 136 F N 0.810 120.831 119.950 0.117 0.000 2.797 136 F HA 0.428 4.955 4.527 0.000 0.000 0.302 136 F C 1.852 177.681 175.800 0.049 0.000 1.130 136 F CA 0.649 58.707 58.000 0.096 0.000 1.387 136 F CB -0.311 38.762 39.000 0.121 0.000 1.107 136 F HN 0.275 nan 8.300 nan 0.000 0.577 137 G N 0.912 109.816 108.800 0.174 0.000 2.171 137 G HA2 -0.239 3.722 3.960 0.000 0.000 0.238 137 G HA3 -0.239 3.722 3.960 0.000 0.000 0.238 137 G C -0.052 174.897 174.900 0.081 0.000 1.039 137 G CA 0.136 45.286 45.100 0.084 0.000 0.759 137 G HN 0.252 nan 8.290 nan 0.000 0.501 138 T N 0.482 115.115 114.554 0.132 0.000 2.749 138 T HA 0.604 4.955 4.350 0.000 0.000 0.287 138 T C 0.296 174.958 174.700 -0.063 0.000 0.970 138 T CA -0.423 61.667 62.100 -0.018 0.000 0.980 138 T CB 1.775 70.597 68.868 -0.078 0.000 0.924 138 T HN 0.358 nan 8.240 nan 0.000 0.456 139 M N 3.753 123.298 119.600 -0.092 0.000 2.162 139 M HA 0.395 4.875 4.480 0.000 0.000 0.356 139 M C -1.778 174.506 176.300 -0.026 0.000 1.303 139 M CA -1.037 54.275 55.300 0.020 0.000 1.116 139 M CB -0.027 32.609 32.600 0.059 0.000 1.632 139 M HN 0.628 nan 8.290 nan 0.000 0.469 140 W N 5.169 126.557 121.300 0.147 0.000 2.361 140 W HA 0.538 5.198 4.660 0.000 0.000 0.314 140 W C -0.805 175.778 176.519 0.107 0.000 1.041 140 W CA -0.430 57.016 57.345 0.167 0.000 1.241 140 W CB 1.323 30.867 29.460 0.140 0.000 1.279 140 W HN 0.526 nan 8.180 nan 0.000 0.436 141 c N 3.216 122.004 118.600 0.315 0.000 2.370 141 c HA 0.403 4.973 4.570 0.000 0.000 0.354 141 c C 0.003 174.268 174.090 0.292 0.000 1.218 141 c CA -0.306 56.082 56.329 0.098 0.000 2.154 141 c CB 0.656 43.133 42.510 -0.054 0.000 2.391 141 c HN 0.612 nan 8.230 nan 0.000 0.540 142 H N 3.020 122.174 119.070 0.139 0.000 2.974 142 H HA 0.174 4.731 4.556 0.000 0.000 0.285 142 H C -0.928 174.447 175.328 0.079 0.000 1.227 142 H CA -0.230 55.911 56.048 0.155 0.000 1.569 142 H CB 0.207 30.066 29.762 0.160 0.000 1.648 142 H HN 0.840 nan 8.280 nan 0.000 0.521 143 H N 3.985 122.874 119.070 -0.302 0.000 2.911 143 H HA 0.414 4.970 4.556 0.000 0.000 0.273 143 H C -1.080 174.094 175.328 -0.257 0.000 1.157 143 H CA 0.040 55.969 56.048 -0.199 0.000 1.402 143 H CB 0.220 29.908 29.762 -0.123 0.000 1.463 143 H HN 0.627 nan 8.280 nan 0.000 0.475 144 A N 5.118 127.703 122.820 -0.393 0.000 2.276 144 A HA 0.300 4.620 4.320 0.000 0.000 0.316 144 A C -0.077 177.329 177.584 -0.297 0.000 1.229 144 A CA -0.709 51.203 52.037 -0.208 0.000 0.851 144 A CB 0.567 19.586 19.000 0.032 0.000 1.165 144 A HN 0.861 nan 8.150 nan 0.000 0.513 145 E N 3.397 123.512 120.200 -0.141 0.000 2.191 145 E HA 0.404 4.754 4.350 0.000 0.000 0.263 145 E C -0.597 176.009 176.600 0.010 0.000 0.881 145 E CA -0.894 55.461 56.400 -0.076 0.000 0.757 145 E CB 0.665 30.417 29.700 0.086 0.000 1.147 145 E HN 0.641 nan 8.360 nan 0.000 0.414 146 M N 3.686 123.287 119.600 0.001 0.000 2.327 146 M HA -0.070 4.410 4.480 0.000 0.000 0.353 146 M C 1.168 177.491 176.300 0.038 0.000 1.539 146 M CA 0.861 56.185 55.300 0.040 0.000 1.039 146 M CB 0.184 32.772 32.600 -0.021 0.000 1.967 146 M HN 0.757 nan 8.290 nan 0.000 0.459 147 Q N 3.925 123.760 119.800 0.060 0.000 1.967 147 Q HA -0.210 4.130 4.340 0.000 0.000 0.210 147 Q C -0.285 175.737 176.000 0.037 0.000 1.005 147 Q CA 1.864 57.695 55.803 0.047 0.000 0.862 147 Q CB 0.270 29.037 28.738 0.049 0.000 0.939 147 Q HN 0.744 nan 8.270 nan 0.000 0.417 148 N N 1.531 120.256 118.700 0.042 0.000 2.408 148 N HA 0.303 5.043 4.740 0.000 0.000 0.280 148 N C -2.654 172.864 175.510 0.013 0.000 1.002 148 N CA -1.426 51.649 53.050 0.042 0.000 0.907 148 N CB 1.557 40.086 38.487 0.069 0.000 1.161 148 N HN 0.202 nan 8.380 nan 0.000 0.488 149 P HA -0.108 nan 4.420 nan 0.000 0.266 149 P C -0.702 176.457 177.300 -0.235 0.000 1.180 149 P CA 0.128 63.118 63.100 -0.183 0.000 0.765 149 P CB 0.661 32.191 31.700 -0.283 0.000 0.806 150 V N 4.398 124.156 119.914 -0.260 0.000 2.394 150 V HA 0.165 4.285 4.120 0.000 0.000 0.282 150 V C -0.276 175.661 176.094 -0.263 0.000 1.031 150 V CA -0.422 61.794 62.300 -0.139 0.000 0.881 150 V CB 0.377 32.161 31.823 -0.065 0.000 0.982 150 V HN 0.347 nan 8.190 nan 0.000 0.451 151 Y N 5.423 125.736 120.300 0.022 0.000 2.425 151 Y HA 0.466 5.017 4.550 0.000 0.000 0.347 151 Y C 0.285 176.209 175.900 0.040 0.000 0.976 151 Y CA -0.699 57.420 58.100 0.032 0.000 1.190 151 Y CB 0.563 39.039 38.460 0.027 0.000 1.136 151 Y HN 0.421 nan 8.280 nan 0.000 0.517 152 L N 5.805 127.111 121.223 0.137 0.000 2.315 152 L HA 0.364 4.704 4.340 0.000 0.000 0.283 152 L C -0.278 176.660 176.870 0.114 0.000 1.089 152 L CA 0.078 54.987 54.840 0.115 0.000 0.833 152 L CB 0.265 42.387 42.059 0.104 0.000 1.170 152 L HN 0.571 nan 8.230 nan 0.000 0.442 153 I N 6.160 126.791 120.570 0.100 0.000 2.437 153 I HA 0.269 4.440 4.170 0.000 0.000 0.279 153 I C -1.871 174.276 176.117 0.050 0.000 1.028 153 I CA -1.968 59.377 61.300 0.075 0.000 1.142 153 I CB 1.667 39.710 38.000 0.071 0.000 1.266 153 I HN 0.414 nan 8.210 nan 0.000 0.461 154 P HA -0.004 nan 4.420 nan 0.000 0.266 154 P C -0.582 176.731 177.300 0.020 0.000 1.180 154 P CA 0.613 63.726 63.100 0.022 0.000 0.765 154 P CB 1.099 32.804 31.700 0.009 0.000 0.806 155 E N -0.243 119.967 120.200 0.017 0.000 2.392 155 E HA 0.311 4.661 4.350 0.000 0.000 0.281 155 E C -1.016 175.589 176.600 0.010 0.000 1.088 155 E CA -0.603 55.806 56.400 0.015 0.000 0.850 155 E CB 1.459 31.174 29.700 0.025 0.000 1.267 155 E HN 0.320 nan 8.360 nan 0.000 0.438 156 T N 0.108 114.664 114.554 0.004 0.000 4.143 156 T HA 0.192 4.542 4.350 0.000 0.000 0.306 156 T C -0.070 174.628 174.700 -0.003 0.000 0.925 156 T CA -0.150 61.947 62.100 -0.005 0.000 1.014 156 T CB -0.010 68.843 68.868 -0.024 0.000 1.115 156 T HN 0.198 nan 8.240 nan 0.000 0.464 157 V N -0.086 119.840 119.914 0.021 0.000 3.700 157 V HA 0.546 4.666 4.120 0.000 0.000 0.277 157 V C -1.909 174.242 176.094 0.095 0.000 1.067 157 V CA -2.219 60.104 62.300 0.039 0.000 0.897 157 V CB -0.655 31.191 31.823 0.039 0.000 1.231 157 V HN 0.231 nan 8.190 nan 0.000 0.425 158 P HA -0.226 nan 4.420 nan 0.000 0.233 158 P C -0.884 176.579 177.300 0.271 0.000 1.035 158 P CA 1.246 64.475 63.100 0.215 0.000 0.791 158 P CB -0.755 31.009 31.700 0.106 0.000 0.652 159 Y N 1.262 121.585 120.300 0.039 0.000 2.839 159 Y HA 0.577 5.127 4.550 0.000 0.000 0.361 159 Y C 0.510 176.451 175.900 0.067 0.000 1.008 159 Y CA -1.684 56.444 58.100 0.047 0.000 1.534 159 Y CB 0.146 38.633 38.460 0.044 0.000 1.395 159 Y HN 0.103 nan 8.280 nan 0.000 0.534 160 I N 2.618 123.191 120.570 0.006 0.000 2.441 160 I HA 0.225 4.395 4.170 0.000 0.000 0.287 160 I C -0.431 175.715 176.117 0.049 0.000 1.049 160 I CA -0.245 61.042 61.300 -0.022 0.000 1.381 160 I CB 0.659 38.693 38.000 0.057 0.000 1.409 160 I HN 0.309 nan 8.210 nan 0.000 0.523 161 K N 6.100 126.565 120.400 0.109 0.000 2.185 161 K HA 0.333 4.653 4.320 0.000 0.000 0.240 161 K C -0.767 176.065 176.600 0.387 0.000 0.983 161 K CA -0.615 55.796 56.287 0.207 0.000 0.873 161 K CB 1.391 34.009 32.500 0.195 0.000 1.118 161 K HN 0.605 nan 8.250 nan 0.000 0.441 162 W N 0.625 121.886 121.300 -0.065 0.000 2.260 162 W HA 0.046 4.706 4.660 0.000 0.000 0.366 162 W C 0.718 177.278 176.519 0.068 0.000 1.315 162 W CA -0.680 56.600 57.345 -0.109 0.000 1.458 162 W CB 1.238 30.450 29.460 -0.413 0.000 1.255 162 W HN 0.655 nan 8.180 nan 0.000 0.671 163 D N -0.578 119.806 120.400 -0.027 0.000 2.685 163 D HA -0.104 4.536 4.640 0.000 0.000 0.257 163 D C 1.722 178.031 176.300 0.016 0.000 1.472 163 D CA 0.589 54.571 54.000 -0.031 0.000 1.125 163 D CB -0.446 40.253 40.800 -0.167 0.000 0.969 163 D HN 0.452 nan 8.370 nan 0.000 0.281 164 N N 1.119 119.793 118.700 -0.044 0.000 2.003 164 N HA -0.197 4.544 4.740 0.000 0.000 0.198 164 N C 0.799 176.330 175.510 0.036 0.000 1.073 164 N CA 0.774 53.818 53.050 -0.010 0.000 0.875 164 N CB -0.884 37.582 38.487 -0.036 0.000 1.074 164 N HN 0.247 nan 8.380 nan 0.000 0.435 165 c N 2.382 121.007 118.600 0.042 0.000 1.553 165 c HA -0.127 4.443 4.570 0.000 0.000 0.232 165 c C -0.263 173.851 174.090 0.040 0.000 0.985 165 c CA -0.557 55.804 56.329 0.054 0.000 3.265 165 c CB -2.044 40.542 42.510 0.127 0.000 2.127 165 c HN 0.453 nan 8.230 nan 0.000 0.169 166 N N 4.587 123.309 118.700 0.037 0.000 2.440 166 N HA 0.064 4.804 4.740 0.000 0.000 0.265 166 N C 0.101 175.624 175.510 0.021 0.000 1.239 166 N CA 0.392 53.464 53.050 0.036 0.000 0.909 166 N CB 0.751 39.271 38.487 0.054 0.000 1.066 166 N HN 0.746 nan 8.380 nan 0.000 0.474 167 S N 1.348 117.053 115.700 0.010 0.000 2.481 167 S HA 0.123 4.593 4.470 0.000 0.000 0.276 167 S C 0.458 175.057 174.600 -0.001 0.000 1.247 167 S CA -0.262 57.932 58.200 -0.009 0.000 1.053 167 S CB 0.330 63.524 63.200 -0.010 0.000 0.925 167 S HN 0.340 nan 8.310 nan 0.000 0.491 168 T N 3.717 118.268 114.554 -0.006 0.000 3.145 168 T HA 0.171 4.521 4.350 0.000 0.000 0.362 168 T C 0.268 174.962 174.700 -0.010 0.000 1.340 168 T CA -0.592 61.510 62.100 0.002 0.000 1.069 168 T CB -0.427 68.450 68.868 0.014 0.000 1.129 168 T HN 0.633 nan 8.240 nan 0.000 0.585 169 N N 3.979 122.674 118.700 -0.009 0.000 2.332 169 N HA 0.085 4.825 4.740 0.000 0.000 0.274 169 N C -0.739 174.763 175.510 -0.013 0.000 1.351 169 N CA 0.753 53.796 53.050 -0.012 0.000 0.875 169 N CB -0.126 38.357 38.487 -0.007 0.000 1.140 169 N HN 0.592 nan 8.380 nan 0.000 0.489 170 I N 1.482 122.041 120.570 -0.019 0.000 2.744 170 I HA 0.011 4.181 4.170 0.000 0.000 0.285 170 I C -0.651 175.450 176.117 -0.027 0.000 1.530 170 I CA -0.639 60.649 61.300 -0.020 0.000 1.064 170 I CB 1.879 39.868 38.000 -0.019 0.000 1.429 170 I HN 0.375 nan 8.210 nan 0.000 0.425 171 T N 4.752 119.289 114.554 -0.028 0.000 2.837 171 T HA 0.751 5.101 4.350 0.000 0.000 0.285 171 T C -0.136 174.536 174.700 -0.047 0.000 0.984 171 T CA -0.261 61.819 62.100 -0.035 0.000 1.049 171 T CB 1.017 69.867 68.868 -0.029 0.000 0.947 171 T HN 0.621 nan 8.240 nan 0.000 0.472 172 A N 4.338 127.122 122.820 -0.060 0.000 2.289 172 A HA 0.648 4.968 4.320 0.000 0.000 0.298 172 A C 0.048 177.554 177.584 -0.129 0.000 1.208 172 A CA -0.679 51.309 52.037 -0.081 0.000 0.845 172 A CB 0.245 19.201 19.000 -0.074 0.000 1.125 172 A HN 1.146 nan 8.150 nan 0.000 0.517 173 V N 1.586 121.418 119.914 -0.136 0.000 2.495 173 V HA 0.771 4.891 4.120 0.000 0.000 0.298 173 V C -0.207 175.753 176.094 -0.224 0.000 1.031 173 V CA -0.810 61.382 62.300 -0.179 0.000 0.871 173 V CB 0.954 32.709 31.823 -0.113 0.000 0.988 173 V HN 0.768 nan 8.190 nan 0.000 0.432 174 V N 3.232 122.932 119.914 -0.357 0.000 2.398 174 V HA 0.659 4.779 4.120 0.000 0.000 0.286 174 V C 0.690 176.678 176.094 -0.177 0.000 1.026 174 V CA -0.551 61.554 62.300 -0.325 0.000 0.868 174 V CB 0.921 32.397 31.823 -0.577 0.000 0.982 174 V HN 0.891 nan 8.190 nan 0.000 0.443 175 R N 3.348 123.784 120.500 -0.105 0.000 2.084 175 R HA 0.545 4.886 4.340 0.000 0.000 0.209 175 R C 1.202 177.481 176.300 -0.035 0.000 1.173 175 R CA 1.150 57.216 56.100 -0.058 0.000 1.053 175 R CB -0.039 30.226 30.300 -0.058 0.000 0.948 175 R HN 0.845 nan 8.270 nan 0.000 0.460 176 A N 0.221 123.013 122.820 -0.046 0.000 2.959 176 A HA 0.324 4.644 4.320 0.000 0.000 0.280 176 A C -0.513 177.046 177.584 -0.042 0.000 0.953 176 A CA -0.272 51.739 52.037 -0.043 0.000 1.047 176 A CB -0.087 18.875 19.000 -0.064 0.000 1.147 176 A HN 0.379 nan 8.150 nan 0.000 0.489 177 Q N -1.538 118.252 119.800 -0.016 0.000 2.360 177 Q HA -0.170 4.170 4.340 0.000 0.000 0.192 177 Q C 0.632 176.627 176.000 -0.008 0.000 0.615 177 Q CA 1.012 56.818 55.803 0.005 0.000 1.355 177 Q CB -1.756 26.976 28.738 -0.010 0.000 1.324 177 Q HN 1.072 nan 8.270 nan 0.000 0.885 178 G N 1.118 109.891 108.800 -0.044 0.000 2.415 178 G HA2 0.575 4.535 3.960 0.000 0.000 0.317 178 G HA3 0.575 4.535 3.960 0.000 0.000 0.317 178 G C -0.563 174.293 174.900 -0.073 0.000 1.152 178 G CA -0.494 44.574 45.100 -0.053 0.000 0.956 178 G HN 0.113 nan 8.290 nan 0.000 0.458 179 L N 2.045 123.229 121.223 -0.065 0.000 2.399 179 L HA 0.740 5.081 4.340 0.000 0.000 0.266 179 L C -0.951 175.879 176.870 -0.068 0.000 1.114 179 L CA -0.624 54.162 54.840 -0.090 0.000 0.804 179 L CB 1.813 43.827 42.059 -0.075 0.000 1.146 179 L HN 0.399 nan 8.230 nan 0.000 0.451 180 D N 3.195 123.550 120.400 -0.075 0.000 2.470 180 D HA 0.471 5.111 4.640 0.000 0.000 0.233 180 D C -1.585 174.683 176.300 -0.054 0.000 1.372 180 D CA -0.131 53.834 54.000 -0.060 0.000 0.994 180 D CB 1.616 42.378 40.800 -0.063 0.000 1.377 180 D HN 0.324 nan 8.370 nan 0.000 0.586 181 V N 1.209 121.100 119.914 -0.038 0.000 3.007 181 V HA 0.753 4.873 4.120 0.000 0.000 0.311 181 V C -0.066 176.015 176.094 -0.022 0.000 1.120 181 V CA -0.944 61.337 62.300 -0.031 0.000 0.980 181 V CB 2.096 33.904 31.823 -0.025 0.000 1.033 181 V HN 0.535 nan 8.190 nan 0.000 0.429 182 T N 4.076 118.617 114.554 -0.022 0.000 2.864 182 T HA 0.672 5.022 4.350 0.000 0.000 0.310 182 T C -0.530 174.162 174.700 -0.013 0.000 1.040 182 T CA -0.241 61.848 62.100 -0.018 0.000 0.977 182 T CB 0.585 69.439 68.868 -0.024 0.000 0.976 182 T HN 0.485 nan 8.240 nan 0.000 0.459 183 L N 5.496 126.715 121.223 -0.008 0.000 2.317 183 L HA 0.565 4.905 4.340 0.000 0.000 0.281 183 L C -2.174 174.686 176.870 -0.017 0.000 1.024 183 L CA -2.435 52.400 54.840 -0.009 0.000 0.810 183 L CB 1.869 43.927 42.059 -0.002 0.000 1.240 183 L HN 0.310 nan 8.230 nan 0.000 0.427 184 P HA 0.425 nan 4.420 nan 0.000 0.294 184 P C -1.482 175.810 177.300 -0.013 0.000 1.294 184 P CA -0.481 62.615 63.100 -0.008 0.000 0.827 184 P CB 1.704 33.402 31.700 -0.004 0.000 0.992 185 L N 0.390 121.606 121.223 -0.011 0.000 2.466 185 L HA 0.743 5.083 4.340 0.000 0.000 0.258 185 L C -0.776 176.158 176.870 0.106 0.000 0.973 185 L CA -0.855 53.966 54.840 -0.031 0.000 0.826 185 L CB 2.296 44.139 42.059 -0.359 0.000 1.372 185 L HN 0.293 nan 8.230 nan 0.000 0.409 186 S N 2.485 118.262 115.700 0.128 0.000 2.472 186 S HA 0.782 5.252 4.470 0.000 0.000 0.303 186 S C -0.638 174.078 174.600 0.194 0.000 1.099 186 S CA -0.724 57.588 58.200 0.187 0.000 1.077 186 S CB 1.696 64.943 63.200 0.078 0.000 1.031 186 S HN 0.657 nan 8.310 nan 0.000 0.487 187 L N 3.803 125.234 121.223 0.348 0.000 2.324 187 L HA 0.458 4.799 4.340 0.000 0.000 0.274 187 L C -2.281 174.742 176.870 0.255 0.000 1.012 187 L CA -2.286 52.708 54.840 0.257 0.000 0.859 187 L CB 1.941 44.207 42.059 0.344 0.000 1.224 187 L HN 0.496 nan 8.230 nan 0.000 0.429 188 P HA 0.020 nan 4.420 nan 0.000 0.269 188 P C -0.375 177.044 177.300 0.199 0.000 1.209 188 P CA 0.312 63.529 63.100 0.195 0.000 0.776 188 P CB 0.679 32.463 31.700 0.140 0.000 0.876 189 T N 0.570 115.244 114.554 0.201 0.000 3.173 189 T HA -0.074 4.276 4.350 0.000 0.000 0.441 189 T C 0.510 175.200 174.700 -0.017 0.000 0.771 189 T CA 1.078 63.233 62.100 0.093 0.000 2.303 189 T CB -2.666 66.258 68.868 0.093 0.000 1.682 189 T HN 0.732 nan 8.240 nan 0.000 0.651 190 S N -1.829 113.694 115.700 -0.294 0.000 2.760 190 S HA 0.542 5.012 4.470 0.000 0.000 0.263 190 S C 0.709 175.001 174.600 -0.512 0.000 1.007 190 S CA 0.061 58.080 58.200 -0.302 0.000 1.358 190 S CB 0.529 63.712 63.200 -0.027 0.000 1.228 190 S HN 1.437 nan 8.310 nan 0.000 0.684 191 A N 2.007 124.338 122.820 -0.815 0.000 2.473 191 A HA 0.530 4.850 4.320 0.000 0.000 0.282 191 A C 1.089 178.568 177.584 -0.176 0.000 1.163 191 A CA 0.555 52.302 52.037 -0.484 0.000 0.827 191 A CB -0.485 18.377 19.000 -0.230 0.000 1.098 191 A HN 0.580 nan 8.150 nan 0.000 0.515 192 Q N 0.949 120.690 119.800 -0.098 0.000 1.988 192 Q HA -0.271 4.069 4.340 0.000 0.000 0.203 192 Q C -0.093 175.888 176.000 -0.033 0.000 2.861 192 Q CA 1.994 57.775 55.803 -0.037 0.000 0.386 192 Q CB -1.191 27.535 28.738 -0.021 0.000 0.694 192 Q HN 0.865 nan 8.270 nan 0.000 0.429 193 D N 1.495 121.873 120.400 -0.037 0.000 2.619 193 D HA 0.218 4.859 4.640 0.000 0.000 0.238 193 D C -0.974 175.314 176.300 -0.019 0.000 1.158 193 D CA 0.648 54.636 54.000 -0.020 0.000 1.251 193 D CB 0.062 40.853 40.800 -0.014 0.000 1.134 193 D HN 0.141 nan 8.370 nan 0.000 0.487 194 S N 1.778 117.476 115.700 -0.002 0.000 2.571 194 S HA 0.407 4.877 4.470 0.000 0.000 0.284 194 S C -1.068 173.558 174.600 0.043 0.000 1.128 194 S CA -0.977 57.238 58.200 0.024 0.000 0.970 194 S CB 0.658 63.879 63.200 0.035 0.000 1.039 194 S HN 0.144 nan 8.310 nan 0.000 0.485 195 N N 3.340 122.070 118.700 0.050 0.000 2.446 195 N HA 0.376 5.116 4.740 0.000 0.000 0.265 195 N C -1.525 174.023 175.510 0.063 0.000 0.975 195 N CA -0.242 52.834 53.050 0.043 0.000 0.928 195 N CB 1.150 39.643 38.487 0.010 0.000 1.160 195 N HN 0.560 nan 8.380 nan 0.000 0.495 196 F N 1.579 121.474 119.950 -0.090 0.000 2.404 196 F HA 0.410 4.937 4.527 0.000 0.000 0.339 196 F C 0.279 175.995 175.800 -0.140 0.000 1.105 196 F CA -0.461 57.460 58.000 -0.132 0.000 1.087 196 F CB 1.163 40.032 39.000 -0.218 0.000 1.143 196 F HN 0.209 nan 8.300 nan 0.000 0.491 197 S N 5.733 120.898 115.700 -0.891 0.000 2.737 197 S HA 0.568 5.038 4.470 0.000 0.000 0.269 197 S C -1.684 172.513 174.600 -0.671 0.000 1.150 197 S CA -0.555 57.297 58.200 -0.579 0.000 1.077 197 S CB 0.643 63.672 63.200 -0.285 0.000 1.075 197 S HN 0.584 nan 8.310 nan 0.000 0.476 198 V N 4.812 124.398 119.914 -0.547 0.000 2.834 198 V HA 0.763 4.883 4.120 0.000 0.000 0.313 198 V C -0.630 175.453 176.094 -0.018 0.000 1.060 198 V CA -0.388 61.778 62.300 -0.222 0.000 0.989 198 V CB 2.027 33.835 31.823 -0.026 0.000 1.041 198 V HN 0.892 nan 8.190 nan 0.000 0.459 199 K N 2.009 122.500 120.400 0.152 0.000 2.561 199 K HA 0.485 4.806 4.320 0.000 0.000 0.254 199 K C -1.131 175.688 176.600 0.365 0.000 0.942 199 K CA -0.538 55.850 56.287 0.169 0.000 0.818 199 K CB 2.316 34.843 32.500 0.045 0.000 1.306 199 K HN 0.770 nan 8.250 nan 0.000 0.435 200 T N 0.663 115.383 114.554 0.278 0.000 2.819 200 T HA 0.505 4.855 4.350 0.000 0.000 0.271 200 T C -1.077 173.802 174.700 0.299 0.000 0.986 200 T CA -0.821 61.484 62.100 0.342 0.000 0.989 200 T CB 1.261 70.271 68.868 0.237 0.000 1.396 200 T HN 0.663 nan 8.240 nan 0.000 0.597 201 E N 1.102 121.479 120.200 0.295 0.000 3.562 201 E HA 0.064 4.414 4.350 0.000 0.000 0.377 201 E C -1.386 175.378 176.600 0.273 0.000 1.050 201 E CA -0.477 56.048 56.400 0.209 0.000 0.705 201 E CB 0.120 29.893 29.700 0.123 0.000 1.314 201 E HN 0.450 nan 8.360 nan 0.000 0.484 202 M N 5.006 124.736 119.600 0.217 0.000 2.156 202 M HA 0.227 4.707 4.480 0.000 0.000 0.345 202 M C 0.085 176.517 176.300 0.221 0.000 1.398 202 M CA -0.447 54.994 55.300 0.234 0.000 1.148 202 M CB 0.375 33.104 32.600 0.215 0.000 1.663 202 M HN 0.474 nan 8.290 nan 0.000 0.464 203 L N 2.825 124.209 121.223 0.267 0.000 2.700 203 L HA 0.375 4.715 4.340 0.000 0.000 0.234 203 L C 1.058 178.041 176.870 0.188 0.000 1.156 203 L CA 0.235 55.188 54.840 0.189 0.000 0.946 203 L CB -0.715 41.437 42.059 0.154 0.000 1.216 203 L HN 0.848 nan 8.230 nan 0.000 0.493 204 G N -0.139 108.782 108.800 0.201 0.000 2.664 204 G HA2 0.090 4.050 3.960 0.000 0.000 0.242 204 G HA3 0.090 4.050 3.960 0.000 0.000 0.242 204 G C 0.521 175.505 174.900 0.140 0.000 1.225 204 G CA -0.088 45.116 45.100 0.172 0.000 0.849 204 G HN 0.416 nan 8.290 nan 0.000 0.581 205 N N -0.981 117.787 118.700 0.113 0.000 2.318 205 N HA -0.202 4.538 4.740 0.000 0.000 0.141 205 N C 0.836 176.400 175.510 0.089 0.000 0.808 205 N CA 1.073 54.174 53.050 0.084 0.000 0.878 205 N CB -0.214 38.305 38.487 0.053 0.000 0.783 205 N HN 0.613 nan 8.380 nan 0.000 0.739 206 E N 0.426 120.665 120.200 0.064 0.000 2.405 206 E HA 0.025 4.375 4.350 0.000 0.000 0.194 206 E C -0.245 176.413 176.600 0.096 0.000 1.149 206 E CA 0.419 56.858 56.400 0.064 0.000 0.933 206 E CB -0.159 29.555 29.700 0.024 0.000 1.028 206 E HN 0.211 nan 8.360 nan 0.000 0.487 207 I N 0.844 121.492 120.570 0.129 0.000 2.433 207 I HA 0.217 4.387 4.170 0.000 0.000 0.292 207 I C -0.101 176.121 176.117 0.175 0.000 1.001 207 I CA -0.961 60.460 61.300 0.202 0.000 1.119 207 I CB 1.689 39.847 38.000 0.263 0.000 1.289 207 I HN -0.226 nan 8.210 nan 0.000 0.438 208 D N 7.042 127.532 120.400 0.150 0.000 2.378 208 D HA 0.424 5.065 4.640 0.000 0.000 0.265 208 D C -0.406 175.932 176.300 0.064 0.000 1.229 208 D CA -0.221 53.826 54.000 0.079 0.000 0.914 208 D CB 0.552 41.352 40.800 -0.000 0.000 1.140 208 D HN 0.294 nan 8.370 nan 0.000 0.516 209 I N 1.390 122.032 120.570 0.120 0.000 2.581 209 I HA 0.297 4.467 4.170 0.000 0.000 0.288 209 I C 0.539 176.682 176.117 0.043 0.000 1.047 209 I CA -0.327 61.022 61.300 0.081 0.000 1.374 209 I CB 1.207 39.318 38.000 0.185 0.000 1.423 209 I HN 0.243 nan 8.210 nan 0.000 0.549 210 E N 4.832 125.034 120.200 0.004 0.000 2.302 210 E HA 0.353 4.703 4.350 0.000 0.000 0.263 210 E C -1.690 174.911 176.600 0.003 0.000 0.897 210 E CA -0.565 55.831 56.400 -0.007 0.000 0.809 210 E CB 1.315 30.977 29.700 -0.063 0.000 1.270 210 E HN 0.647 nan 8.360 nan 0.000 0.410 211 c N 4.605 123.232 118.600 0.044 0.000 2.370 211 c HA 0.700 5.270 4.570 0.000 0.000 0.354 211 c C 0.123 174.242 174.090 0.048 0.000 1.218 211 c CA -0.715 55.646 56.329 0.055 0.000 2.154 211 c CB -0.092 42.475 42.510 0.096 0.000 2.391 211 c HN 0.727 nan 8.230 nan 0.000 0.540 212 I N 2.549 123.142 120.570 0.039 0.000 2.644 212 I HA 0.366 4.536 4.170 0.000 0.000 0.291 212 I C -0.668 175.473 176.117 0.040 0.000 1.180 212 I CA -0.795 60.518 61.300 0.022 0.000 1.040 212 I CB 1.382 39.374 38.000 -0.013 0.000 1.255 212 I HN 0.725 nan 8.210 nan 0.000 0.422 213 M N 6.026 125.645 119.600 0.032 0.000 2.248 213 M HA 0.061 4.541 4.480 0.000 0.000 0.345 213 M C 0.859 177.176 176.300 0.028 0.000 1.243 213 M CA 0.806 56.135 55.300 0.048 0.000 1.090 213 M CB 0.666 33.254 32.600 -0.021 0.000 1.683 213 M HN 0.677 nan 8.290 nan 0.000 0.450 214 E N 1.582 121.809 120.200 0.045 0.000 2.228 214 E HA -0.087 4.263 4.350 0.000 0.000 0.197 214 E C 0.822 177.436 176.600 0.022 0.000 0.909 214 E CA 0.185 56.599 56.400 0.024 0.000 0.911 214 E CB 0.352 30.067 29.700 0.024 0.000 0.887 214 E HN 0.740 nan 8.360 nan 0.000 0.481 215 D N 0.531 120.954 120.400 0.039 0.000 2.403 215 D HA -0.022 4.618 4.640 0.000 0.000 0.227 215 D C 0.635 176.950 176.300 0.024 0.000 0.995 215 D CA 1.092 55.113 54.000 0.035 0.000 0.928 215 D CB 0.201 41.032 40.800 0.051 0.000 0.887 215 D HN 0.371 nan 8.370 nan 0.000 0.529 216 G N 0.122 108.930 108.800 0.013 0.000 2.384 216 G HA2 -0.164 3.796 3.960 0.000 0.000 0.204 216 G HA3 -0.164 3.796 3.960 0.000 0.000 0.204 216 G C -0.818 174.072 174.900 -0.017 0.000 1.237 216 G CA -0.601 44.497 45.100 -0.003 0.000 1.060 216 G HN 0.271 nan 8.290 nan 0.000 0.514 217 E N -0.820 119.366 120.200 -0.022 0.000 2.254 217 E HA 0.631 4.982 4.350 0.000 0.000 0.261 217 E C -0.143 176.458 176.600 0.001 0.000 1.051 217 E CA -0.851 55.527 56.400 -0.037 0.000 0.902 217 E CB 1.699 31.373 29.700 -0.042 0.000 1.168 217 E HN 0.434 nan 8.360 nan 0.000 0.423 218 I N 2.521 123.104 120.570 0.021 0.000 2.281 218 I HA -0.023 4.148 4.170 0.000 0.000 0.293 218 I C 1.018 177.164 176.117 0.048 0.000 1.085 218 I CA -0.020 61.311 61.300 0.053 0.000 1.257 218 I CB 0.498 38.546 38.000 0.079 0.000 1.430 218 I HN 0.542 nan 8.210 nan 0.000 0.489 219 S N 4.421 120.141 115.700 0.032 0.000 2.414 219 S HA -0.140 4.330 4.470 0.000 0.000 0.227 219 S C 0.800 175.416 174.600 0.027 0.000 1.022 219 S CA 0.242 58.457 58.200 0.025 0.000 0.958 219 S CB -0.251 62.959 63.200 0.016 0.000 0.797 219 S HN 0.773 nan 8.310 nan 0.000 0.493 220 Q N 1.528 121.345 119.800 0.030 0.000 2.700 220 Q HA 0.537 4.877 4.340 0.000 0.000 0.249 220 Q C -0.344 175.676 176.000 0.033 0.000 1.033 220 Q CA -0.762 55.057 55.803 0.027 0.000 0.804 220 Q CB 0.991 29.743 28.738 0.022 0.000 1.164 220 Q HN 0.213 nan 8.270 nan 0.000 0.500 221 V N 0.840 120.776 119.914 0.038 0.000 2.000 221 V HA 0.035 4.156 4.120 0.000 0.000 0.257 221 V C 0.610 176.734 176.094 0.051 0.000 1.801 221 V CA -0.054 62.271 62.300 0.041 0.000 1.713 221 V CB -1.726 30.122 31.823 0.042 0.000 1.531 221 V HN 0.679 nan 8.190 nan 0.000 0.493 222 L N 2.200 123.447 121.223 0.041 0.000 2.552 222 L HA 0.032 4.372 4.340 0.000 0.000 0.315 222 L C -1.323 175.574 176.870 0.045 0.000 1.301 222 L CA -0.321 54.541 54.840 0.037 0.000 0.840 222 L CB -0.189 41.888 42.059 0.030 0.000 1.067 222 L HN 0.363 nan 8.230 nan 0.000 0.558 223 P HA 0.147 nan 4.420 nan 0.000 0.287 223 P C -0.048 177.265 177.300 0.021 0.000 1.307 223 P CA 0.206 63.325 63.100 0.031 0.000 0.777 223 P CB 1.109 32.822 31.700 0.021 0.000 0.883 224 G N 3.382 112.197 108.800 0.024 0.000 2.828 224 G HA2 -0.115 3.845 3.960 0.000 0.000 0.262 224 G HA3 -0.115 3.845 3.960 0.000 0.000 0.262 224 G C -0.672 174.234 174.900 0.009 0.000 1.033 224 G CA -0.343 44.764 45.100 0.012 0.000 1.248 224 G HN 0.598 nan 8.290 nan 0.000 0.551 225 D N -0.537 119.870 120.400 0.010 0.000 3.667 225 D HA -0.125 4.516 4.640 0.000 0.000 0.252 225 D C -0.038 176.267 176.300 0.008 0.000 1.035 225 D CA 0.940 54.939 54.000 -0.001 0.000 1.062 225 D CB -0.960 39.833 40.800 -0.013 0.000 0.948 225 D HN 0.664 nan 8.370 nan 0.000 0.418 226 N N 2.312 121.027 118.700 0.026 0.000 2.437 226 N HA 0.231 4.971 4.740 0.000 0.000 0.259 226 N C 0.087 175.641 175.510 0.075 0.000 0.983 226 N CA -0.443 52.645 53.050 0.063 0.000 0.937 226 N CB 1.303 39.841 38.487 0.085 0.000 1.122 226 N HN 0.229 nan 8.380 nan 0.000 0.499 227 K N 2.105 122.525 120.400 0.034 0.000 2.156 227 K HA 0.507 4.827 4.320 0.000 0.000 0.271 227 K C -0.490 176.133 176.600 0.039 0.000 0.995 227 K CA -0.553 55.693 56.287 -0.069 0.000 0.890 227 K CB 0.971 33.422 32.500 -0.081 0.000 1.073 227 K HN 0.421 nan 8.250 nan 0.000 0.454 228 F N -1.324 118.636 119.950 0.016 0.000 2.599 228 F HA 0.481 5.008 4.527 0.000 0.000 0.311 228 F C -0.686 175.131 175.800 0.029 0.000 1.076 228 F CA -1.301 56.718 58.000 0.032 0.000 0.937 228 F CB 1.111 40.148 39.000 0.062 0.000 1.282 228 F HN 0.271 nan 8.300 nan 0.000 0.460 229 N N 2.359 121.188 118.700 0.215 0.000 2.492 229 N HA 0.683 5.423 4.740 0.000 0.000 0.289 229 N C -0.887 174.746 175.510 0.204 0.000 1.133 229 N CA -0.354 52.770 53.050 0.123 0.000 0.961 229 N CB 2.307 40.840 38.487 0.076 0.000 1.186 229 N HN 0.841 nan 8.380 nan 0.000 0.493 230 I N -2.518 118.135 120.570 0.137 0.000 2.769 230 I HA 0.458 4.628 4.170 0.000 0.000 0.298 230 I C -0.709 175.451 176.117 0.071 0.000 1.128 230 I CA -0.787 60.596 61.300 0.138 0.000 1.031 230 I CB 2.306 40.419 38.000 0.189 0.000 1.235 230 I HN 0.119 nan 8.210 nan 0.000 0.423 231 T N 3.415 118.001 114.554 0.052 0.000 3.149 231 T HA 0.327 4.677 4.350 0.000 0.000 0.373 231 T C -0.128 174.577 174.700 0.008 0.000 1.364 231 T CA -0.250 61.862 62.100 0.020 0.000 1.110 231 T CB -0.242 68.628 68.868 0.004 0.000 1.127 231 T HN 0.620 nan 8.240 nan 0.000 0.576 232 c N 3.636 122.244 118.600 0.013 0.000 2.653 232 c HA 0.388 4.958 4.570 0.000 0.000 0.421 232 c C 1.588 175.651 174.090 -0.045 0.000 1.334 232 c CA -0.811 55.521 56.329 0.005 0.000 1.885 232 c CB -0.567 41.964 42.510 0.034 0.000 2.645 232 c HN 0.930 nan 8.230 nan 0.000 0.601 233 S N 2.725 118.384 115.700 -0.068 0.000 2.562 233 S HA 0.588 5.058 4.470 0.000 0.000 0.281 233 S C 0.424 174.903 174.600 -0.202 0.000 1.333 233 S CA 0.282 58.407 58.200 -0.125 0.000 1.052 233 S CB 0.668 63.800 63.200 -0.113 0.000 0.884 233 S HN 1.839 nan 8.310 nan 0.000 0.506 234 G N 1.603 110.236 108.800 -0.278 0.000 2.233 234 G HA2 0.066 4.026 3.960 0.000 0.000 0.162 234 G HA3 0.066 4.026 3.960 0.000 0.000 0.162 234 G C -1.771 172.831 174.900 -0.496 0.000 1.327 234 G CA -0.773 44.109 45.100 -0.363 0.000 1.187 234 G HN 0.739 nan 8.290 nan 0.000 0.479 235 Y N 2.582 122.821 120.300 -0.101 0.000 2.712 235 Y HA 0.581 5.131 4.550 0.000 0.000 0.328 235 Y C 0.618 176.501 175.900 -0.029 0.000 0.995 235 Y CA -0.767 57.312 58.100 -0.035 0.000 1.283 235 Y CB 0.908 39.350 38.460 -0.030 0.000 1.092 235 Y HN 0.519 nan 8.280 nan 0.000 0.519 236 E N 1.128 121.344 120.200 0.027 0.000 2.604 236 E HA -0.041 4.309 4.350 0.000 0.000 0.267 236 E C 0.112 176.735 176.600 0.038 0.000 0.970 236 E CA 0.411 56.825 56.400 0.023 0.000 0.956 236 E CB 0.542 30.243 29.700 0.002 0.000 0.939 236 E HN 0.456 nan 8.360 nan 0.000 0.465 237 S N 0.668 116.370 115.700 0.004 0.000 2.616 237 S HA 0.086 4.556 4.470 0.000 0.000 0.277 237 S C 0.911 175.485 174.600 -0.043 0.000 1.234 237 S CA -0.458 57.718 58.200 -0.040 0.000 1.028 237 S CB 0.550 63.682 63.200 -0.113 0.000 0.988 237 S HN 0.663 nan 8.310 nan 0.000 0.522 238 H N 2.078 121.132 119.070 -0.028 0.000 2.353 238 H HA 0.082 4.638 4.556 0.000 0.000 0.300 238 H C 0.390 175.699 175.328 -0.032 0.000 1.090 238 H CA 1.198 57.227 56.048 -0.031 0.000 1.327 238 H CB -0.739 28.996 29.762 -0.046 0.000 1.383 238 H HN 0.230 nan 8.280 nan 0.000 0.508 239 V N 5.305 124.874 119.914 -0.575 0.000 2.421 239 V HA 0.094 4.214 4.120 0.000 0.000 0.271 239 V C -1.610 174.392 176.094 -0.154 0.000 1.031 239 V CA -1.310 60.805 62.300 -0.308 0.000 1.032 239 V CB 0.345 31.947 31.823 -0.368 0.000 1.009 239 V HN 0.436 nan 8.190 nan 0.000 0.477 240 P HA 0.080 nan 4.420 nan 0.000 0.272 240 P C -0.328 176.939 177.300 -0.054 0.000 1.254 240 P CA -0.159 62.913 63.100 -0.047 0.000 0.795 240 P CB 0.829 32.515 31.700 -0.024 0.000 1.022 241 S N -0.618 115.063 115.700 -0.032 0.000 2.498 241 S HA 0.688 5.159 4.470 0.000 0.000 0.317 241 S C -0.132 174.452 174.600 -0.026 0.000 1.090 241 S CA -0.318 57.865 58.200 -0.028 0.000 1.089 241 S CB 0.219 63.417 63.200 -0.004 0.000 0.997 241 S HN 0.719 nan 8.310 nan 0.000 0.470 242 G N 1.891 110.650 108.800 -0.070 0.000 3.176 242 G HA2 0.876 4.836 3.960 0.000 0.000 0.272 242 G HA3 0.876 4.836 3.960 0.000 0.000 0.272 242 G C -0.262 174.483 174.900 -0.259 0.000 1.349 242 G CA -0.631 44.386 45.100 -0.138 0.000 0.953 242 G HN 1.262 nan 8.290 nan 0.000 0.559 243 G N -1.304 107.103 108.800 -0.656 0.000 2.703 243 G HA2 0.553 4.513 3.960 0.000 0.000 0.294 243 G HA3 0.553 4.513 3.960 0.000 0.000 0.294 243 G C -1.710 172.376 174.900 -1.356 0.000 1.451 243 G CA -0.607 43.955 45.100 -0.897 0.000 0.869 243 G HN 0.626 nan 8.290 nan 0.000 0.516 244 I N 0.828 121.018 120.570 -0.633 0.000 2.466 244 I HA 0.347 4.517 4.170 0.000 0.000 0.289 244 I C -0.984 175.110 176.117 -0.038 0.000 1.026 244 I CA -0.855 60.254 61.300 -0.318 0.000 1.078 244 I CB 2.299 40.193 38.000 -0.177 0.000 1.249 244 I HN 0.346 nan 8.210 nan 0.000 0.429 245 L N 6.491 127.777 121.223 0.104 0.000 2.272 245 L HA 0.451 4.792 4.340 0.000 0.000 0.284 245 L C 0.027 176.880 176.870 -0.029 0.000 1.045 245 L CA 0.345 55.153 54.840 -0.054 0.000 0.842 245 L CB 1.054 42.882 42.059 -0.386 0.000 1.224 245 L HN 0.649 nan 8.230 nan 0.000 0.430 246 T N 2.660 117.218 114.554 0.006 0.000 2.829 246 T HA 0.568 4.918 4.350 0.000 0.000 0.282 246 T C 0.110 174.863 174.700 0.087 0.000 0.990 246 T CA -0.208 61.913 62.100 0.034 0.000 1.028 246 T CB 0.689 69.558 68.868 0.002 0.000 0.951 246 T HN 0.784 nan 8.240 nan 0.000 0.460 247 S N 3.487 119.229 115.700 0.070 0.000 2.565 247 S HA 0.390 4.860 4.470 0.000 0.000 0.276 247 S C 0.231 174.770 174.600 -0.102 0.000 1.326 247 S CA -0.562 57.607 58.200 -0.052 0.000 1.045 247 S CB 0.887 64.040 63.200 -0.077 0.000 0.918 247 S HN 0.755 nan 8.310 nan 0.000 0.505 248 T N 1.348 115.790 114.554 -0.186 0.000 3.633 248 T HA 0.492 4.842 4.350 0.000 0.000 0.278 248 T C -0.418 174.188 174.700 -0.156 0.000 0.991 248 T CA -0.321 61.702 62.100 -0.129 0.000 1.036 248 T CB -0.149 68.666 68.868 -0.088 0.000 1.148 248 T HN 0.825 nan 8.240 nan 0.000 0.501 249 S N 2.107 117.705 115.700 -0.171 0.000 2.543 249 S HA 0.602 5.072 4.470 0.000 0.000 0.274 249 S C -2.989 171.543 174.600 -0.115 0.000 1.149 249 S CA -1.119 56.980 58.200 -0.168 0.000 0.866 249 S CB 1.252 64.302 63.200 -0.249 0.000 1.111 249 S HN 0.086 nan 8.310 nan 0.000 0.457 250 P HA 0.107 nan 4.420 nan 0.000 0.268 250 P C 1.633 178.944 177.300 0.017 0.000 1.208 250 P CA -0.232 62.836 63.100 -0.054 0.000 0.777 250 P CB 0.139 31.798 31.700 -0.068 0.000 0.875 251 V N 0.226 120.169 119.914 0.048 0.000 2.222 251 V HA -0.243 3.877 4.120 0.000 0.000 0.252 251 V C 1.606 177.817 176.094 0.195 0.000 1.060 251 V CA 2.582 64.943 62.300 0.102 0.000 1.027 251 V CB -2.193 29.663 31.823 0.054 0.000 0.644 251 V HN 0.715 nan 8.190 nan 0.000 0.448 252 A N -1.446 121.449 122.820 0.126 0.000 2.674 252 A HA 0.384 4.704 4.320 0.000 0.000 0.274 252 A C 1.250 178.865 177.584 0.052 0.000 1.065 252 A CA 0.487 52.613 52.037 0.148 0.000 0.978 252 A CB 0.103 19.165 19.000 0.102 0.000 1.242 252 A HN 0.471 nan 8.150 nan 0.000 0.583 253 T N 2.353 116.906 114.554 -0.002 0.000 3.324 253 T HA 0.299 4.649 4.350 0.000 0.000 0.250 253 T C -2.369 172.275 174.700 -0.093 0.000 1.059 253 T CA -0.190 61.885 62.100 -0.041 0.000 0.951 253 T CB -0.457 68.390 68.868 -0.035 0.000 1.030 253 T HN 0.501 nan 8.240 nan 0.000 0.576 254 P HA 0.671 nan 4.420 nan 0.000 0.310 254 P C 0.011 177.224 177.300 -0.144 0.000 1.363 254 P CA -0.807 62.177 63.100 -0.193 0.000 1.157 254 P CB 2.367 33.850 31.700 -0.362 0.000 1.681 255 I N -1.248 119.260 120.570 -0.104 0.000 5.061 255 I HA 0.161 4.331 4.170 0.000 0.000 0.336 255 I C -1.428 174.663 176.117 -0.043 0.000 1.247 255 I CA -0.399 60.869 61.300 -0.054 0.000 1.418 255 I CB -0.075 37.908 38.000 -0.028 0.000 1.467 255 I HN 0.350 nan 8.210 nan 0.000 0.510 256 P HA 0.322 nan 4.420 nan 0.000 0.284 256 P C 1.087 178.363 177.300 -0.041 0.000 1.287 256 P CA 0.172 63.250 63.100 -0.037 0.000 0.824 256 P CB 0.874 32.552 31.700 -0.036 0.000 1.180 257 G N 0.648 109.434 108.800 -0.022 0.000 3.010 257 G HA2 -0.313 3.647 3.960 0.000 0.000 0.260 257 G HA3 -0.313 3.647 3.960 0.000 0.000 0.260 257 G C 0.650 175.535 174.900 -0.024 0.000 1.068 257 G CA 1.618 46.709 45.100 -0.015 0.000 0.731 257 G HN 0.699 nan 8.290 nan 0.000 0.663 258 T N 2.017 116.541 114.554 -0.050 0.000 2.800 258 T HA 0.402 4.752 4.350 0.000 0.000 0.266 258 T C 1.642 176.278 174.700 -0.108 0.000 0.939 258 T CA 0.467 62.525 62.100 -0.070 0.000 1.199 258 T CB 0.706 69.518 68.868 -0.094 0.000 0.899 258 T HN 0.509 nan 8.240 nan 0.000 0.555 259 G N 2.381 111.156 108.800 -0.041 0.000 2.844 259 G HA2 -0.097 3.863 3.960 0.000 0.000 0.211 259 G HA3 -0.097 3.863 3.960 0.000 0.000 0.211 259 G C -0.362 174.446 174.900 -0.155 0.000 1.368 259 G CA 0.732 45.839 45.100 0.012 0.000 0.815 259 G HN 0.659 nan 8.290 nan 0.000 0.649 260 Y N -0.198 120.091 120.300 -0.019 0.000 2.307 260 Y HA 0.594 5.144 4.550 0.000 0.000 0.323 260 Y C 0.232 176.001 175.900 -0.219 0.000 1.100 260 Y CA -0.853 57.169 58.100 -0.131 0.000 1.140 260 Y CB 1.572 39.983 38.460 -0.081 0.000 1.159 260 Y HN 0.505 nan 8.280 nan 0.000 0.436 261 A N 3.446 126.135 122.820 -0.218 0.000 2.388 261 A HA 0.725 5.045 4.320 0.000 0.000 0.257 261 A C -1.519 175.834 177.584 -0.385 0.000 1.095 261 A CA 0.014 51.946 52.037 -0.176 0.000 0.791 261 A CB 0.215 19.136 19.000 -0.131 0.000 1.029 261 A HN 0.686 nan 8.150 nan 0.000 0.489 262 Y N -0.215 120.061 120.300 -0.040 0.000 2.562 262 Y HA 0.550 5.100 4.550 0.000 0.000 0.345 262 Y C 0.322 176.169 175.900 -0.089 0.000 1.045 262 Y CA -0.523 57.530 58.100 -0.078 0.000 1.028 262 Y CB 2.291 40.667 38.460 -0.139 0.000 1.297 262 Y HN 0.605 nan 8.280 nan 0.000 0.463 263 S N 2.299 118.048 115.700 0.081 0.000 2.456 263 S HA 0.651 5.121 4.470 0.000 0.000 0.316 263 S C -1.711 172.890 174.600 0.002 0.000 1.089 263 S CA -0.476 57.735 58.200 0.018 0.000 1.101 263 S CB 0.409 63.608 63.200 -0.002 0.000 0.995 263 S HN 0.555 nan 8.310 nan 0.000 0.468 264 L N 5.526 126.741 121.223 -0.013 0.000 2.313 264 L HA 0.688 5.028 4.340 0.000 0.000 0.283 264 L C -0.388 176.487 176.870 0.008 0.000 1.013 264 L CA -0.269 54.568 54.840 -0.005 0.000 0.816 264 L CB 1.467 43.523 42.059 -0.004 0.000 1.236 264 L HN 0.767 nan 8.230 nan 0.000 0.419 265 R N 5.020 125.519 120.500 -0.002 0.000 2.480 265 R HA 0.679 5.019 4.340 0.000 0.000 0.306 265 R C -1.632 174.647 176.300 -0.035 0.000 0.958 265 R CA -0.598 55.485 56.100 -0.027 0.000 0.861 265 R CB 1.081 31.345 30.300 -0.060 0.000 1.171 265 R HN 0.739 nan 8.270 nan 0.000 0.445 266 L N 3.026 124.246 121.223 -0.005 0.000 2.317 266 L HA 0.521 4.862 4.340 0.000 0.000 0.281 266 L C -0.191 176.661 176.870 -0.029 0.000 1.024 266 L CA -0.614 54.233 54.840 0.011 0.000 0.810 266 L CB 2.288 44.388 42.059 0.068 0.000 1.240 266 L HN 0.673 nan 8.230 nan 0.000 0.427 267 T N 2.364 116.892 114.554 -0.043 0.000 3.446 267 T HA 0.257 4.607 4.350 0.000 0.000 0.289 267 T C -2.669 172.012 174.700 -0.032 0.000 1.203 267 T CA -0.767 61.301 62.100 -0.053 0.000 1.645 267 T CB 0.879 69.696 68.868 -0.085 0.000 0.841 267 T HN 0.317 nan 8.240 nan 0.000 0.617 268 P HA 0.512 nan 4.420 nan 0.000 0.287 268 P C 0.154 177.463 177.300 0.016 0.000 1.270 268 P CA -0.678 62.437 63.100 0.024 0.000 0.844 268 P CB 2.032 33.767 31.700 0.059 0.000 1.068 269 R N 1.503 122.017 120.500 0.022 0.000 1.799 269 R HA 0.308 4.648 4.340 0.000 0.000 0.119 269 R C -1.594 174.754 176.300 0.079 0.000 1.882 269 R CA -0.913 55.199 56.100 0.019 0.000 1.770 269 R CB -1.243 29.043 30.300 -0.024 0.000 1.326 269 R HN 0.393 nan 8.270 nan 0.000 0.521 270 P HA -0.122 nan 4.420 nan 0.000 0.200 270 P C -0.800 176.731 177.300 0.385 0.000 0.924 270 P CA 0.917 64.161 63.100 0.239 0.000 1.021 270 P CB -0.213 31.647 31.700 0.268 0.000 1.047 271 V N 3.173 123.233 119.914 0.242 0.000 2.327 271 V HA 0.146 4.267 4.120 0.000 0.000 0.272 271 V C 0.838 176.997 176.094 0.108 0.000 1.019 271 V CA -0.577 61.871 62.300 0.246 0.000 0.814 271 V CB 1.248 33.160 31.823 0.148 0.000 1.040 271 V HN 0.476 nan 8.190 nan 0.000 0.440 272 S N 3.877 119.366 115.700 -0.352 0.000 2.562 272 S HA 0.219 4.689 4.470 0.000 0.000 0.281 272 S C 1.511 175.916 174.600 -0.324 0.000 1.333 272 S CA -0.287 57.578 58.200 -0.558 0.000 1.052 272 S CB 0.622 63.008 63.200 -1.358 0.000 0.884 272 S HN 0.715 nan 8.310 nan 0.000 0.506 273 R N 3.156 123.394 120.500 -0.437 0.000 2.159 273 R HA -0.089 4.251 4.340 0.000 0.000 0.237 273 R C 1.688 177.574 176.300 -0.690 0.000 1.131 273 R CA 1.478 57.029 56.100 -0.916 0.000 0.982 273 R CB -0.403 29.626 30.300 -0.451 0.000 0.868 273 R HN 0.750 nan 8.270 nan 0.000 0.453 274 F N 0.484 120.145 119.950 -0.482 0.000 2.346 274 F HA -0.211 4.316 4.527 0.000 0.000 0.301 274 F C 1.992 177.625 175.800 -0.278 0.000 1.070 274 F CA -0.082 57.726 58.000 -0.320 0.000 1.407 274 F CB -0.011 38.836 39.000 -0.255 0.000 1.072 274 F HN 0.069 nan 8.300 nan 0.000 0.543 275 L N 0.300 121.422 121.223 -0.167 0.000 2.465 275 L HA 0.167 4.508 4.340 0.000 0.000 0.224 275 L C 1.208 178.018 176.870 -0.099 0.000 1.145 275 L CA 1.010 55.827 54.840 -0.039 0.000 0.834 275 L CB -1.129 41.021 42.059 0.151 0.000 0.944 275 L HN 0.126 nan 8.230 nan 0.000 0.451 276 G N -0.033 108.556 108.800 -0.350 0.000 2.881 276 G HA2 -0.322 3.638 3.960 0.000 0.000 0.681 276 G HA3 -0.322 3.638 3.960 0.000 0.000 0.681 276 G C -0.223 174.664 174.900 -0.021 0.000 1.567 276 G CA -0.018 44.952 45.100 -0.217 0.000 1.013 276 G HN 0.592 nan 8.290 nan 0.000 0.580 277 N N 0.415 119.174 118.700 0.098 0.000 2.424 277 N HA 0.461 5.201 4.740 0.000 0.000 0.257 277 N C 0.708 176.316 175.510 0.165 0.000 1.250 277 N CA 0.164 53.371 53.050 0.261 0.000 0.946 277 N CB 0.255 38.861 38.487 0.198 0.000 1.175 277 N HN 0.977 nan 8.380 nan 0.000 0.477 278 N N -1.759 117.032 118.700 0.152 0.000 2.814 278 N HA -0.156 4.584 4.740 0.000 0.000 0.247 278 N C -1.241 174.339 175.510 0.116 0.000 1.089 278 N CA 0.049 53.162 53.050 0.105 0.000 0.682 278 N CB -0.754 37.782 38.487 0.083 0.000 0.970 278 N HN 0.423 nan 8.380 nan 0.000 0.554 279 S N 0.345 116.130 115.700 0.143 0.000 2.767 279 S HA 0.824 5.294 4.470 0.000 0.000 0.300 279 S C 0.086 174.748 174.600 0.104 0.000 1.123 279 S CA -0.739 57.554 58.200 0.155 0.000 0.992 279 S CB 1.676 65.008 63.200 0.219 0.000 1.138 279 S HN 0.321 nan 8.310 nan 0.000 0.550 280 I N 0.509 121.145 120.570 0.110 0.000 2.512 280 I HA 0.479 4.650 4.170 0.000 0.000 0.287 280 I C -1.339 174.727 176.117 -0.085 0.000 1.069 280 I CA -0.943 60.328 61.300 -0.049 0.000 1.056 280 I CB 1.308 39.211 38.000 -0.162 0.000 1.229 280 I HN 0.357 nan 8.210 nan 0.000 0.429 281 L N 6.994 128.138 121.223 -0.131 0.000 2.315 281 L HA 0.408 4.748 4.340 0.000 0.000 0.283 281 L C -1.240 175.532 176.870 -0.163 0.000 1.089 281 L CA 0.374 55.195 54.840 -0.032 0.000 0.833 281 L CB 0.052 42.106 42.059 -0.009 0.000 1.170 281 L HN 0.377 nan 8.230 nan 0.000 0.442 282 Y N 4.222 124.565 120.300 0.071 0.000 2.330 282 Y HA 0.574 5.125 4.550 0.001 0.000 0.336 282 Y C -0.085 175.778 175.900 -0.061 0.000 1.036 282 Y CA -0.839 57.230 58.100 -0.052 0.000 1.125 282 Y CB 1.580 40.032 38.460 -0.014 0.000 1.194 282 Y HN 0.270 nan 8.280 nan 0.000 0.469 283 V N 4.782 124.648 119.914 -0.079 0.000 2.448 283 V HA 0.446 4.566 4.120 0.000 0.000 0.295 283 V C -0.839 175.221 176.094 -0.058 0.000 1.025 283 V CA -1.103 61.247 62.300 0.083 0.000 0.859 283 V CB 0.818 32.727 31.823 0.144 0.000 0.988 283 V HN 0.453 nan 8.190 nan 0.000 0.431 284 F N 5.129 125.235 119.950 0.260 0.000 2.482 284 F HA 0.815 5.342 4.527 0.000 0.000 0.331 284 F C -0.195 175.711 175.800 0.177 0.000 1.115 284 F CA -0.823 57.282 58.000 0.175 0.000 0.955 284 F CB 1.599 40.656 39.000 0.094 0.000 1.136 284 F HN 0.620 nan 8.300 nan 0.000 0.452 285 Y N -1.071 119.309 120.300 0.133 0.000 2.609 285 Y HA 0.857 5.407 4.550 0.000 0.000 0.336 285 Y C -0.975 174.954 175.900 0.049 0.000 1.129 285 Y CA -1.146 56.917 58.100 -0.063 0.000 1.040 285 Y CB 1.575 39.965 38.460 -0.115 0.000 1.310 285 Y HN 0.454 nan 8.280 nan 0.000 0.460 286 S N -0.402 115.308 115.700 0.016 0.000 2.794 286 S HA 0.746 5.216 4.470 0.000 0.000 0.299 286 S C -0.404 174.267 174.600 0.118 0.000 1.179 286 S CA -0.533 57.712 58.200 0.075 0.000 0.838 286 S CB 1.665 64.834 63.200 -0.051 0.000 1.206 286 S HN 1.243 nan 8.310 nan 0.000 0.523 287 G N 1.483 110.372 108.800 0.150 0.000 4.828 287 G HA2 0.409 4.369 3.960 0.000 0.000 0.294 287 G HA3 0.409 4.369 3.960 0.000 0.000 0.294 287 G C -0.731 174.206 174.900 0.063 0.000 1.288 287 G CA -0.385 44.794 45.100 0.132 0.000 0.987 287 G HN 0.393 nan 8.290 nan 0.000 0.587 288 N N -0.509 118.199 118.700 0.012 0.000 2.455 288 N HA 0.547 5.287 4.740 0.000 0.000 0.278 288 N C 0.464 175.957 175.510 -0.027 0.000 1.291 288 N CA -0.340 52.705 53.050 -0.008 0.000 0.780 288 N CB 2.013 40.487 38.487 -0.022 0.000 1.520 288 N HN 0.057 nan 8.380 nan 0.000 0.486 289 G N -0.433 108.354 108.800 -0.022 0.000 3.146 289 G HA2 0.164 4.124 3.960 0.000 0.000 0.238 289 G HA3 0.164 4.124 3.960 0.000 0.000 0.238 289 G C -1.307 173.577 174.900 -0.027 0.000 1.022 289 G CA 0.074 45.159 45.100 -0.025 0.000 0.880 289 G HN 0.393 nan 8.290 nan 0.000 0.533 290 P HA 0.172 nan 4.420 nan 0.000 0.216 290 P C 0.324 177.603 177.300 -0.035 0.000 1.156 290 P CA 1.010 64.094 63.100 -0.028 0.000 0.855 290 P CB 0.410 32.094 31.700 -0.025 0.000 0.786 291 K N -0.925 119.449 120.400 -0.044 0.000 2.803 291 K HA 0.538 4.859 4.320 0.000 0.000 0.229 291 K C 0.369 176.931 176.600 -0.063 0.000 1.084 291 K CA -0.172 56.084 56.287 -0.051 0.000 1.063 291 K CB -0.093 32.377 32.500 -0.050 0.000 1.254 291 K HN -0.119 nan 8.250 nan 0.000 0.551 292 A N 1.401 124.181 122.820 -0.068 0.000 2.076 292 A HA -0.076 4.244 4.320 0.000 0.000 0.220 292 A C 1.060 178.593 177.584 -0.085 0.000 1.160 292 A CA 1.304 53.291 52.037 -0.084 0.000 0.653 292 A CB -0.251 18.694 19.000 -0.092 0.000 0.801 292 A HN 0.554 nan 8.150 nan 0.000 0.455 293 S N -0.326 115.326 115.700 -0.080 0.000 2.516 293 S HA 0.385 4.855 4.470 0.000 0.000 0.282 293 S C 1.242 175.792 174.600 -0.084 0.000 1.286 293 S CA 0.463 58.611 58.200 -0.087 0.000 1.066 293 S CB -0.163 62.992 63.200 -0.074 0.000 0.884 293 S HN 1.862 nan 8.310 nan 0.000 0.491 294 G N 3.919 112.659 108.800 -0.100 0.000 2.379 294 G HA2 -0.184 3.777 3.960 0.000 0.000 0.297 294 G HA3 -0.184 3.777 3.960 0.000 0.000 0.297 294 G C 0.415 175.278 174.900 -0.062 0.000 1.004 294 G CA 0.178 45.234 45.100 -0.072 0.000 0.921 294 G HN 1.212 nan 8.290 nan 0.000 0.511 295 G N -0.468 108.291 108.800 -0.067 0.000 2.353 295 G HA2 0.518 4.478 3.960 0.000 0.000 0.284 295 G HA3 0.518 4.478 3.960 0.000 0.000 0.284 295 G C 0.674 175.466 174.900 -0.180 0.000 1.172 295 G CA 0.487 45.520 45.100 -0.112 0.000 0.854 295 G HN 0.346 nan 8.290 nan 0.000 0.485 296 D N 0.676 120.892 120.400 -0.308 0.000 3.843 296 D HA -0.271 4.369 4.640 0.000 0.000 0.179 296 D C 0.448 176.425 176.300 -0.538 0.000 0.802 296 D CA 1.984 55.626 54.000 -0.597 0.000 0.821 296 D CB -0.843 39.250 40.800 -1.178 0.000 0.400 296 D HN 0.546 nan 8.370 nan 0.000 0.323 297 Y N 0.042 120.171 120.300 -0.286 0.000 2.904 297 Y HA 0.146 4.696 4.550 0.000 0.000 0.336 297 Y C 1.070 176.687 175.900 -0.472 0.000 1.263 297 Y CA -0.396 57.432 58.100 -0.453 0.000 1.547 297 Y CB 0.164 38.144 38.460 -0.799 0.000 1.272 297 Y HN 0.345 nan 8.280 nan 0.000 0.596 298 c N 5.688 124.208 118.600 -0.133 0.000 2.547 298 c HA 0.793 5.363 4.570 0.000 0.000 0.313 298 c C -0.863 173.214 174.090 -0.022 0.000 1.191 298 c CA -0.836 55.398 56.329 -0.158 0.000 1.474 298 c CB -0.014 42.406 42.510 -0.150 0.000 2.081 298 c HN 0.780 nan 8.230 nan 0.000 0.476 299 I N 4.647 125.232 120.570 0.025 0.000 2.545 299 I HA 0.573 4.743 4.170 0.000 0.000 0.292 299 I C -0.491 175.600 176.117 -0.043 0.000 1.040 299 I CA 0.310 61.657 61.300 0.079 0.000 1.068 299 I CB 2.076 40.215 38.000 0.232 0.000 1.251 299 I HN 0.840 nan 8.210 nan 0.000 0.424 300 Q N 4.649 124.399 119.800 -0.083 0.000 2.372 300 Q HA 0.817 5.157 4.340 0.000 0.000 0.273 300 Q C -1.554 174.350 176.000 -0.160 0.000 1.078 300 Q CA -0.733 54.940 55.803 -0.217 0.000 0.806 300 Q CB 2.181 30.676 28.738 -0.404 0.000 1.332 300 Q HN 0.525 nan 8.270 nan 0.000 0.435 301 S N 2.036 117.633 115.700 -0.171 0.000 2.570 301 S HA 0.487 4.957 4.470 0.000 0.000 0.286 301 S C -1.105 173.433 174.600 -0.104 0.000 1.099 301 S CA -0.795 57.343 58.200 -0.104 0.000 0.913 301 S CB 1.483 64.647 63.200 -0.061 0.000 1.085 301 S HN 0.724 nan 8.310 nan 0.000 0.480 302 N N 2.179 120.841 118.700 -0.064 0.000 2.524 302 N HA 0.441 5.181 4.740 0.000 0.000 0.283 302 N C -0.442 175.051 175.510 -0.029 0.000 1.142 302 N CA -0.182 52.846 53.050 -0.036 0.000 0.984 302 N CB 1.228 39.707 38.487 -0.014 0.000 1.155 302 N HN 0.757 nan 8.380 nan 0.000 0.467 303 I N -0.940 119.626 120.570 -0.007 0.000 2.530 303 I HA 0.603 4.773 4.170 0.000 0.000 0.297 303 I C -0.681 175.418 176.117 -0.030 0.000 1.011 303 I CA -0.854 60.413 61.300 -0.055 0.000 1.107 303 I CB 1.855 39.801 38.000 -0.089 0.000 1.285 303 I HN 0.115 nan 8.210 nan 0.000 0.436 304 V N 2.291 122.131 119.914 -0.124 0.000 2.735 304 V HA 0.544 4.664 4.120 0.000 0.000 0.310 304 V C -0.977 175.008 176.094 -0.183 0.000 1.061 304 V CA -0.602 61.682 62.300 -0.028 0.000 0.913 304 V CB 1.566 33.391 31.823 0.003 0.000 1.005 304 V HN 0.660 nan 8.190 nan 0.000 0.428 305 F N 1.845 121.794 119.950 -0.002 0.000 2.309 305 F HA 0.522 5.049 4.527 -0.000 0.000 0.366 305 F C 1.157 176.950 175.800 -0.012 0.000 1.104 305 F CA -0.047 57.947 58.000 -0.011 0.000 1.179 305 F CB 1.167 40.159 39.000 -0.013 0.000 1.437 305 F HN 0.660 nan 8.300 nan 0.000 0.528 306 S N 1.260 116.992 115.700 0.054 0.000 2.558 306 S HA -0.023 4.447 4.470 0.000 0.000 0.288 306 S C 0.694 175.329 174.600 0.059 0.000 1.318 306 S CA -0.170 58.054 58.200 0.040 0.000 1.056 306 S CB 0.330 63.529 63.200 -0.003 0.000 0.853 306 S HN 0.577 nan 8.310 nan 0.000 0.505 307 D N 1.570 121.996 120.400 0.043 0.000 2.368 307 D HA 0.085 4.725 4.640 0.000 0.000 0.218 307 D C 0.184 176.495 176.300 0.017 0.000 1.112 307 D CA -0.031 53.989 54.000 0.034 0.000 0.834 307 D CB 0.156 40.970 40.800 0.025 0.000 0.953 307 D HN 0.681 nan 8.370 nan 0.000 0.505 308 E N 1.609 121.816 120.200 0.012 0.000 2.562 308 E HA -0.085 4.265 4.350 0.000 0.000 0.241 308 E C -0.261 176.341 176.600 0.002 0.000 1.136 308 E CA -0.398 56.003 56.400 0.002 0.000 0.952 308 E CB 0.051 29.749 29.700 -0.004 0.000 0.975 308 E HN 0.104 nan 8.360 nan 0.000 0.494 309 I N 8.473 129.045 120.570 0.003 0.000 2.828 309 I HA -0.084 4.086 4.170 0.000 0.000 0.292 309 I C -1.561 174.558 176.117 0.003 0.000 1.206 309 I CA -0.757 60.549 61.300 0.010 0.000 1.420 309 I CB -0.149 37.856 38.000 0.008 0.000 1.368 309 I HN 0.517 nan 8.210 nan 0.000 0.556 310 P HA -0.069 nan 4.420 nan 0.000 0.266 310 P C 0.098 177.390 177.300 -0.015 0.000 1.186 310 P CA -0.011 63.073 63.100 -0.027 0.000 0.767 310 P CB 0.706 32.370 31.700 -0.060 0.000 0.820 311 A N 3.335 126.147 122.820 -0.014 0.000 1.858 311 A HA -0.068 4.252 4.320 0.000 0.000 0.215 311 A C 1.670 179.254 177.584 -0.001 0.000 1.320 311 A CA 1.429 53.470 52.037 0.007 0.000 0.601 311 A CB -1.615 17.388 19.000 0.005 0.000 0.976 311 A HN 0.649 nan 8.150 nan 0.000 0.470 312 S N 0.240 115.926 115.700 -0.023 0.000 3.283 312 S HA -0.069 4.401 4.470 0.000 0.000 0.249 312 S C 1.084 175.631 174.600 -0.089 0.000 1.050 312 S CA 0.938 59.114 58.200 -0.041 0.000 1.226 312 S CB -0.296 62.875 63.200 -0.048 0.000 1.061 312 S HN 0.536 nan 8.310 nan 0.000 0.488 313 Q N 1.986 121.730 119.800 -0.093 0.000 2.079 313 Q HA -0.057 4.284 4.340 0.000 0.000 0.200 313 Q C -0.377 175.493 176.000 -0.217 0.000 0.974 313 Q CA 1.488 57.162 55.803 -0.215 0.000 0.840 313 Q CB -0.469 28.168 28.738 -0.170 0.000 0.898 313 Q HN 0.749 nan 8.270 nan 0.000 0.430 314 D N 0.874 121.240 120.400 -0.056 0.000 2.399 314 D HA 0.090 4.731 4.640 0.000 0.000 0.241 314 D C 0.292 176.572 176.300 -0.034 0.000 1.133 314 D CA 0.305 54.308 54.000 0.005 0.000 0.890 314 D CB 0.277 41.091 40.800 0.024 0.000 1.201 314 D HN 0.366 nan 8.370 nan 0.000 0.432 315 M N 0.682 120.277 119.600 -0.010 0.000 2.243 315 M HA 0.341 4.821 4.480 0.000 0.000 0.341 315 M C -2.308 173.966 176.300 -0.044 0.000 1.130 315 M CA -1.514 53.761 55.300 -0.041 0.000 1.162 315 M CB 0.214 32.788 32.600 -0.044 0.000 1.497 315 M HN 0.084 nan 8.290 nan 0.000 0.456 316 P HA 0.035 nan 4.420 nan 0.000 0.270 316 P C -0.773 176.490 177.300 -0.063 0.000 1.216 316 P CA 0.156 63.221 63.100 -0.058 0.000 0.788 316 P CB 0.313 31.974 31.700 -0.064 0.000 0.883 317 T N 1.098 115.613 114.554 -0.065 0.000 2.956 317 T HA 0.338 4.688 4.350 0.000 0.000 0.312 317 T C -0.757 173.899 174.700 -0.073 0.000 1.151 317 T CA -0.598 61.457 62.100 -0.074 0.000 1.024 317 T CB 0.923 69.747 68.868 -0.073 0.000 1.140 317 T HN 0.283 nan 8.240 nan 0.000 0.473 318 N N 1.809 120.457 118.700 -0.087 0.000 2.696 318 N HA 0.355 5.095 4.740 0.000 0.000 0.246 318 N C -0.184 175.291 175.510 -0.057 0.000 1.057 318 N CA -0.713 52.293 53.050 -0.074 0.000 0.867 318 N CB 1.070 39.498 38.487 -0.099 0.000 1.141 318 N HN 0.698 nan 8.380 nan 0.000 0.517 319 T N -0.947 113.571 114.554 -0.061 0.000 2.919 319 T HA 0.344 4.694 4.350 0.000 0.000 0.302 319 T C 0.206 174.853 174.700 -0.088 0.000 1.031 319 T CA -0.140 61.910 62.100 -0.083 0.000 1.127 319 T CB 0.786 69.612 68.868 -0.071 0.000 0.952 319 T HN 0.162 nan 8.240 nan 0.000 0.540 320 T N 2.943 117.400 114.554 -0.160 0.000 2.848 320 T HA 0.436 4.787 4.350 0.000 0.000 0.285 320 T C -1.101 173.467 174.700 -0.219 0.000 0.995 320 T CA -0.717 61.285 62.100 -0.164 0.000 0.970 320 T CB 1.341 70.083 68.868 -0.210 0.000 0.976 320 T HN 0.674 nan 8.240 nan 0.000 0.441 321 D N 2.536 122.857 120.400 -0.130 0.000 2.233 321 D HA 0.500 5.141 4.640 0.000 0.000 0.240 321 D C -0.202 176.050 176.300 -0.079 0.000 1.074 321 D CA -0.406 53.528 54.000 -0.110 0.000 0.838 321 D CB 0.796 41.570 40.800 -0.043 0.000 1.124 321 D HN 0.216 nan 8.370 nan 0.000 0.475 322 I N 1.332 121.853 120.570 -0.081 0.000 2.693 322 I HA 0.496 4.666 4.170 0.000 0.000 0.303 322 I C 0.116 176.341 176.117 0.181 0.000 1.025 322 I CA -0.538 60.788 61.300 0.043 0.000 1.086 322 I CB 1.964 39.980 38.000 0.026 0.000 1.268 322 I HN 0.236 nan 8.210 nan 0.000 0.440 323 T N 5.297 119.994 114.554 0.238 0.000 3.071 323 T HA 0.644 4.995 4.350 0.000 0.000 0.311 323 T C -1.162 173.705 174.700 0.279 0.000 1.042 323 T CA -0.485 61.737 62.100 0.204 0.000 1.028 323 T CB 1.600 70.520 68.868 0.087 0.000 1.068 323 T HN 0.551 nan 8.240 nan 0.000 0.451 324 Y N -0.008 120.342 120.300 0.084 0.000 2.725 324 Y HA 0.783 5.333 4.550 0.000 0.000 0.333 324 Y C -0.140 175.792 175.900 0.054 0.000 1.242 324 Y CA -1.178 56.965 58.100 0.071 0.000 1.059 324 Y CB 0.842 39.359 38.460 0.095 0.000 1.306 324 Y HN 0.239 nan 8.280 nan 0.000 0.454 325 V N 0.530 120.432 119.914 -0.020 0.000 3.473 325 V HA 0.306 4.426 4.120 0.000 0.000 0.253 325 V C 1.641 177.757 176.094 0.037 0.000 1.340 325 V CA 1.042 63.283 62.300 -0.098 0.000 1.103 325 V CB 0.203 32.007 31.823 -0.032 0.000 0.881 325 V HN 1.175 nan 8.190 nan 0.000 0.451 326 G N 0.385 109.304 108.800 0.200 0.000 2.736 326 G HA2 -0.158 3.803 3.960 0.000 0.000 0.206 326 G HA3 -0.158 3.803 3.960 0.000 0.000 0.206 326 G C 0.542 175.553 174.900 0.186 0.000 1.158 326 G CA 0.774 45.979 45.100 0.175 0.000 0.801 326 G HN 0.658 nan 8.290 nan 0.000 0.528 327 D N -0.613 119.929 120.400 0.236 0.000 2.983 327 D HA -0.180 4.460 4.640 0.000 0.000 0.225 327 D C 0.023 176.441 176.300 0.197 0.000 1.174 327 D CA 1.760 55.882 54.000 0.203 0.000 0.831 327 D CB -1.637 39.209 40.800 0.078 0.000 1.104 327 D HN 0.842 nan 8.370 nan 0.000 0.421 328 N N -1.884 116.951 118.700 0.224 0.000 3.429 328 N HA 0.483 5.223 4.740 0.000 0.000 0.221 328 N C -0.831 174.565 175.510 -0.191 0.000 1.195 328 N CA -0.085 52.960 53.050 -0.009 0.000 0.938 328 N CB 0.343 38.821 38.487 -0.015 0.000 1.609 328 N HN 0.065 nan 8.380 nan 0.000 0.704 329 A N 1.145 123.606 122.820 -0.597 0.000 2.240 329 A HA 0.917 5.237 4.320 0.000 0.000 0.292 329 A C -0.278 177.144 177.584 -0.271 0.000 1.121 329 A CA -0.255 51.362 52.037 -0.699 0.000 0.851 329 A CB 0.677 18.932 19.000 -1.242 0.000 1.167 329 A HN 0.640 nan 8.150 nan 0.000 0.503 330 T N 0.019 114.515 114.554 -0.098 0.000 3.237 330 T HA 0.426 4.776 4.350 0.000 0.000 0.319 330 T C -1.716 173.040 174.700 0.093 0.000 1.037 330 T CA -0.118 61.968 62.100 -0.024 0.000 1.048 330 T CB 0.699 69.512 68.868 -0.092 0.000 1.081 330 T HN 0.524 nan 8.240 nan 0.000 0.455 331 Y N 2.864 123.147 120.300 -0.027 0.000 2.387 331 Y HA 0.602 5.152 4.550 0.001 0.000 0.336 331 Y C 0.121 175.938 175.900 -0.139 0.000 1.067 331 Y CA -1.369 56.692 58.100 -0.065 0.000 1.114 331 Y CB 1.466 39.896 38.460 -0.051 0.000 1.208 331 Y HN 0.600 nan 8.280 nan 0.000 0.458 332 S N 4.832 120.101 115.700 -0.718 0.000 2.488 332 S HA 0.429 4.899 4.470 0.000 0.000 0.310 332 S C -1.104 172.987 174.600 -0.848 0.000 1.093 332 S CA -0.814 57.018 58.200 -0.613 0.000 1.129 332 S CB -0.074 62.897 63.200 -0.383 0.000 0.989 332 S HN 0.469 nan 8.310 nan 0.000 0.479 333 V N 6.738 126.265 119.914 -0.645 0.000 2.434 333 V HA 0.176 4.296 4.120 0.000 0.000 0.281 333 V C -1.259 174.658 176.094 -0.296 0.000 1.005 333 V CA -1.063 60.921 62.300 -0.527 0.000 1.089 333 V CB -0.516 31.159 31.823 -0.248 0.000 0.978 333 V HN 0.740 nan 8.190 nan 0.000 0.474 334 P HA 0.044 nan 4.420 nan 0.000 0.274 334 P C 0.127 177.424 177.300 -0.005 0.000 1.260 334 P CA -0.793 62.260 63.100 -0.079 0.000 0.793 334 P CB 0.492 32.182 31.700 -0.016 0.000 1.048 335 M N 1.213 120.821 119.600 0.014 0.000 2.186 335 M HA -0.120 4.360 4.480 0.000 0.000 0.408 335 M C 0.004 176.341 176.300 0.062 0.000 1.260 335 M CA 0.490 55.817 55.300 0.044 0.000 0.784 335 M CB -0.669 31.954 32.600 0.040 0.000 1.899 335 M HN 0.145 nan 8.290 nan 0.000 0.513 336 V N 8.775 128.738 119.914 0.081 0.000 2.479 336 V HA 0.084 4.205 4.120 0.000 0.000 0.284 336 V C 0.788 176.921 176.094 0.065 0.000 0.981 336 V CA 1.327 63.679 62.300 0.086 0.000 1.139 336 V CB -1.300 30.595 31.823 0.120 0.000 0.947 336 V HN 1.223 nan 8.190 nan 0.000 0.468 337 T N 4.100 118.686 114.554 0.053 0.000 14.053 337 T HA -0.256 4.094 4.350 0.000 0.000 0.419 337 T C 0.379 175.096 174.700 0.029 0.000 1.441 337 T CA 1.784 63.904 62.100 0.032 0.000 2.336 337 T CB -1.513 67.374 68.868 0.032 0.000 2.764 337 T HN 2.195 nan 8.240 nan 0.000 0.321 338 S N 0.601 116.318 115.700 0.027 0.000 2.596 338 S HA 0.586 5.056 4.470 0.000 0.000 0.270 338 S C -0.959 173.656 174.600 0.025 0.000 1.155 338 S CA -0.094 58.120 58.200 0.023 0.000 0.827 338 S CB 2.051 65.258 63.200 0.012 0.000 1.130 338 S HN 0.781 nan 8.310 nan 0.000 0.467 339 E N 0.703 120.916 120.200 0.022 0.000 1.948 339 E HA -0.216 4.134 4.350 0.000 0.000 0.176 339 E C -0.941 175.674 176.600 0.025 0.000 1.347 339 E CA 1.121 57.534 56.400 0.021 0.000 0.652 339 E CB -1.090 28.619 29.700 0.015 0.000 1.039 339 E HN 0.524 nan 8.360 nan 0.000 0.304 340 D N -0.678 119.742 120.400 0.032 0.000 2.266 340 D HA 0.182 4.822 4.640 0.000 0.000 0.218 340 D C -0.830 175.497 176.300 0.044 0.000 1.311 340 D CA -0.076 53.944 54.000 0.034 0.000 0.918 340 D CB 0.558 41.378 40.800 0.034 0.000 1.530 340 D HN 0.162 nan 8.370 nan 0.000 0.514 341 A N 3.085 125.930 122.820 0.041 0.000 3.105 341 A HA 0.275 4.595 4.320 0.000 0.000 0.272 341 A C 0.710 178.317 177.584 0.039 0.000 1.466 341 A CA -0.151 51.916 52.037 0.050 0.000 1.101 341 A CB -0.399 18.628 19.000 0.045 0.000 1.065 341 A HN 0.349 nan 8.150 nan 0.000 0.643 342 N N -0.942 117.779 118.700 0.035 0.000 2.453 342 N HA 0.063 4.804 4.740 0.000 0.000 0.267 342 N C -0.351 175.172 175.510 0.023 0.000 1.482 342 N CA 0.105 53.168 53.050 0.022 0.000 0.841 342 N CB 0.694 39.191 38.487 0.016 0.000 1.408 342 N HN 0.251 nan 8.380 nan 0.000 0.490 343 S N 0.545 116.266 115.700 0.035 0.000 2.592 343 S HA 0.376 4.846 4.470 0.000 0.000 0.271 343 S C -1.892 172.718 174.600 0.016 0.000 1.326 343 S CA -0.855 57.368 58.200 0.040 0.000 1.024 343 S CB 0.749 63.991 63.200 0.069 0.000 0.921 343 S HN 0.186 nan 8.310 nan 0.000 0.527 344 P HA 0.368 nan 4.420 nan 0.000 0.266 344 P C -1.012 176.272 177.300 -0.027 0.000 1.561 344 P CA -0.198 62.891 63.100 -0.018 0.000 1.089 344 P CB -0.122 31.567 31.700 -0.020 0.000 1.534 345 N N 0.119 118.824 118.700 0.009 0.000 2.785 345 N HA 0.143 4.883 4.740 0.000 0.000 0.224 345 N C -0.854 174.735 175.510 0.131 0.000 1.448 345 N CA -0.016 53.050 53.050 0.027 0.000 0.748 345 N CB 1.787 40.281 38.487 0.012 0.000 1.385 345 N HN -0.169 nan 8.380 nan 0.000 0.538 346 V N 0.295 120.268 119.914 0.097 0.000 2.973 346 V HA 0.632 4.753 4.120 0.000 0.000 0.314 346 V C 0.624 176.855 176.094 0.227 0.000 1.066 346 V CA -0.163 62.257 62.300 0.200 0.000 1.021 346 V CB 1.989 33.996 31.823 0.307 0.000 1.076 346 V HN 0.337 nan 8.190 nan 0.000 0.462 347 T N 1.609 116.284 114.554 0.202 0.000 3.262 347 T HA 0.309 4.659 4.350 0.000 0.000 0.336 347 T C -0.466 174.225 174.700 -0.014 0.000 0.911 347 T CA -0.209 61.970 62.100 0.133 0.000 1.154 347 T CB 0.979 69.953 68.868 0.176 0.000 1.007 347 T HN 0.341 nan 8.240 nan 0.000 0.488 348 V N 2.600 122.399 119.914 -0.191 0.000 3.185 348 V HA 0.608 4.729 4.120 0.000 0.000 0.305 348 V C 0.566 176.640 176.094 -0.033 0.000 1.090 348 V CA -0.044 62.039 62.300 -0.362 0.000 1.107 348 V CB 1.488 32.436 31.823 -1.457 0.000 1.061 348 V HN 0.890 nan 8.190 nan 0.000 0.480 349 T N 2.186 116.742 114.554 0.003 0.000 3.842 349 T HA 0.521 4.872 4.350 0.000 0.000 0.336 349 T C -0.328 174.340 174.700 -0.053 0.000 0.900 349 T CA -0.073 61.937 62.100 -0.150 0.000 1.022 349 T CB 1.136 69.710 68.868 -0.491 0.000 1.068 349 T HN 1.011 nan 8.240 nan 0.000 0.464 350 A N 2.900 125.785 122.820 0.109 0.000 2.272 350 A HA 0.955 5.275 4.320 0.000 0.000 0.275 350 A C -0.762 176.897 177.584 0.124 0.000 1.096 350 A CA -0.450 51.664 52.037 0.129 0.000 0.822 350 A CB 0.652 19.787 19.000 0.225 0.000 1.088 350 A HN 0.830 nan 8.150 nan 0.000 0.495 351 F N -1.084 118.680 119.950 -0.310 0.000 2.652 351 F HA 0.377 4.904 4.527 -0.000 0.000 0.320 351 F C -1.804 173.700 175.800 -0.494 0.000 1.115 351 F CA -0.477 57.320 58.000 -0.338 0.000 1.053 351 F CB 1.276 40.148 39.000 -0.213 0.000 1.297 351 F HN 0.699 nan 8.300 nan 0.000 0.471 352 W N 5.889 127.324 121.300 0.225 0.000 2.283 352 W HA 0.659 5.319 4.660 0.000 0.000 0.317 352 W C 0.246 176.915 176.519 0.250 0.000 1.042 352 W CA -0.697 56.755 57.345 0.177 0.000 1.348 352 W CB 1.421 30.930 29.460 0.081 0.000 1.216 352 W HN 0.751 nan 8.180 nan 0.000 0.404 353 A N 3.736 126.784 122.820 0.380 0.000 2.632 353 A HA -0.149 4.171 4.320 0.000 0.000 0.231 353 A C 0.005 177.797 177.584 0.346 0.000 1.027 353 A CA 0.565 52.711 52.037 0.181 0.000 0.759 353 A CB -0.261 18.826 19.000 0.145 0.000 0.939 353 A HN 0.949 nan 8.150 nan 0.000 0.505 354 W N -0.973 120.484 121.300 0.260 0.000 6.486 354 W HA -0.121 4.541 4.660 0.003 0.000 0.411 354 W C -2.067 174.586 176.519 0.223 0.000 1.595 354 W CA 0.152 57.630 57.345 0.222 0.000 1.075 354 W CB -1.898 27.646 29.460 0.140 0.000 2.798 354 W HN 0.666 nan 8.180 nan 0.000 1.534 355 P HA 0.028 nan 4.420 nan 0.000 0.275 355 P C 0.820 178.300 177.300 0.300 0.000 1.227 355 P CA 0.213 63.483 63.100 0.282 0.000 0.781 355 P CB 0.656 32.405 31.700 0.082 0.000 0.906 356 N N 1.869 120.701 118.700 0.221 0.000 2.368 356 N HA -0.061 4.679 4.740 0.000 0.000 0.176 356 N C -0.067 175.538 175.510 0.159 0.000 1.021 356 N CA 0.632 53.791 53.050 0.182 0.000 0.888 356 N CB -0.075 38.491 38.487 0.132 0.000 0.995 356 N HN 0.362 nan 8.380 nan 0.000 0.437 357 N N 0.434 119.229 118.700 0.158 0.000 2.399 357 N HA 0.155 4.895 4.740 0.000 0.000 0.280 357 N C -0.155 175.445 175.510 0.150 0.000 1.008 357 N CA -0.092 53.031 53.050 0.122 0.000 0.894 357 N CB 1.806 40.340 38.487 0.078 0.000 1.273 357 N HN -0.130 nan 8.380 nan 0.000 0.486 358 T N 1.896 116.484 114.554 0.057 0.000 2.708 358 T HA -0.095 4.255 4.350 0.000 0.000 0.266 358 T C 1.170 175.858 174.700 -0.020 0.000 1.037 358 T CA 1.145 63.204 62.100 -0.069 0.000 1.146 358 T CB 0.040 68.784 68.868 -0.205 0.000 0.865 358 T HN 0.567 nan 8.240 nan 0.000 0.435 359 E N 0.782 120.975 120.200 -0.012 0.000 2.472 359 E HA -0.065 4.285 4.350 0.000 0.000 0.200 359 E C 1.957 178.563 176.600 0.011 0.000 1.046 359 E CA 1.308 57.701 56.400 -0.012 0.000 0.871 359 E CB -0.096 29.598 29.700 -0.010 0.000 0.806 359 E HN 0.756 nan 8.360 nan 0.000 0.533 360 T N -2.881 111.698 114.554 0.041 0.000 3.105 360 T HA 0.031 4.381 4.350 0.000 0.000 0.257 360 T C 1.265 175.979 174.700 0.024 0.000 0.949 360 T CA -0.275 61.844 62.100 0.033 0.000 0.959 360 T CB -0.033 68.855 68.868 0.033 0.000 1.205 360 T HN -0.157 nan 8.240 nan 0.000 0.496 361 D N 1.067 121.498 120.400 0.051 0.000 2.312 361 D HA 0.103 4.743 4.640 0.000 0.000 0.211 361 D C -0.315 175.671 176.300 -0.524 0.000 0.964 361 D CA 0.609 54.519 54.000 -0.151 0.000 0.877 361 D CB -0.141 40.543 40.800 -0.194 0.000 0.924 361 D HN 0.414 nan 8.370 nan 0.000 0.515 362 F N 0.299 120.004 119.950 -0.408 0.000 2.550 362 F HA 0.328 4.854 4.527 -0.000 0.000 0.312 362 F C 1.475 177.033 175.800 -0.405 0.000 1.256 362 F CA -0.508 57.058 58.000 -0.723 0.000 1.182 362 F CB 0.758 39.060 39.000 -1.163 0.000 1.383 362 F HN -0.353 nan 8.300 nan 0.000 0.541 363 K N -0.405 119.931 120.400 -0.107 0.000 2.399 363 K HA 0.271 4.592 4.320 0.000 0.000 0.196 363 K C 0.042 176.596 176.600 -0.076 0.000 1.117 363 K CA 0.437 56.696 56.287 -0.046 0.000 0.965 363 K CB 0.332 32.809 32.500 -0.039 0.000 0.983 363 K HN 0.311 nan 8.250 nan 0.000 0.531 364 c N 2.929 121.470 118.600 -0.099 0.000 2.667 364 c HA 0.300 4.870 4.570 0.000 0.000 0.392 364 c C 0.076 173.809 174.090 -0.594 0.000 1.332 364 c CA -0.382 55.738 56.329 -0.349 0.000 1.594 364 c CB -1.682 40.723 42.510 -0.176 0.000 2.345 364 c HN 0.250 nan 8.230 nan 0.000 0.594 365 K N 3.077 122.911 120.400 -0.944 0.000 2.527 365 K HA 0.537 4.857 4.320 0.000 0.000 0.260 365 K C -1.537 174.534 176.600 -0.882 0.000 0.937 365 K CA -0.482 55.366 56.287 -0.732 0.000 0.826 365 K CB 1.425 33.779 32.500 -0.243 0.000 1.359 365 K HN 0.736 nan 8.250 nan 0.000 0.434 366 W N 1.174 122.508 121.300 0.055 0.000 2.962 366 W HA 0.517 5.177 4.660 0.000 0.000 0.341 366 W C -0.740 175.844 176.519 0.108 0.000 1.155 366 W CA -0.623 56.802 57.345 0.134 0.000 1.165 366 W CB 2.206 31.836 29.460 0.283 0.000 1.435 366 W HN 0.527 nan 8.180 nan 0.000 0.546 367 T N 1.194 115.985 114.554 0.396 0.000 2.792 367 T HA 0.173 4.523 4.350 0.000 0.000 0.303 367 T C 0.785 175.503 174.700 0.030 0.000 1.310 367 T CA -0.793 61.420 62.100 0.189 0.000 1.007 367 T CB 1.887 70.799 68.868 0.072 0.000 1.335 367 T HN 0.088 nan 8.240 nan 0.000 0.504 368 L N 1.244 122.317 121.223 -0.249 0.000 2.129 368 L HA -0.073 4.267 4.340 0.000 0.000 0.212 368 L C 2.113 178.872 176.870 -0.184 0.000 1.087 368 L CA 2.064 56.634 54.840 -0.450 0.000 0.757 368 L CB -1.475 40.357 42.059 -0.378 0.000 0.896 368 L HN 0.832 nan 8.230 nan 0.000 0.434 369 T N -2.766 111.740 114.554 -0.080 0.000 3.069 369 T HA 0.096 4.447 4.350 0.000 0.000 0.252 369 T C 1.322 176.036 174.700 0.023 0.000 1.053 369 T CA 0.435 62.517 62.100 -0.030 0.000 0.964 369 T CB 0.334 69.180 68.868 -0.037 0.000 1.005 369 T HN 0.404 nan 8.240 nan 0.000 0.532 370 S N 1.099 116.843 115.700 0.073 0.000 3.161 370 S HA 0.749 5.220 4.470 0.000 0.000 0.214 370 S C 0.613 175.319 174.600 0.177 0.000 1.105 370 S CA -0.007 58.258 58.200 0.109 0.000 1.369 370 S CB 0.349 63.615 63.200 0.111 0.000 0.959 370 S HN 0.921 nan 8.310 nan 0.000 0.572 371 G N -0.611 108.344 108.800 0.258 0.000 2.944 371 G HA2 0.388 4.349 3.960 0.000 0.000 0.471 371 G HA3 0.388 4.349 3.960 0.000 0.000 0.471 371 G C -0.301 174.758 174.900 0.265 0.000 1.388 371 G CA -0.391 44.907 45.100 0.330 0.000 1.087 371 G HN 1.590 nan 8.290 nan 0.000 0.596 372 T N 1.706 116.490 114.554 0.384 0.000 2.340 372 T HA -0.092 4.258 4.350 0.000 0.000 0.534 372 T C -1.782 172.993 174.700 0.125 0.000 0.845 372 T CA 0.878 63.138 62.100 0.265 0.000 2.838 372 T CB -0.603 68.365 68.868 0.168 0.000 1.755 372 T HN 0.994 nan 8.240 nan 0.000 0.500 373 P HA 0.445 nan 4.420 nan 0.000 0.296 373 P C 1.079 178.364 177.300 -0.025 0.000 1.306 373 P CA -0.317 62.739 63.100 -0.073 0.000 0.818 373 P CB 1.459 32.992 31.700 -0.278 0.000 0.969 374 S N 3.567 119.258 115.700 -0.016 0.000 2.262 374 S HA -0.278 4.192 4.470 0.000 0.000 0.493 374 S C 1.963 176.566 174.600 0.004 0.000 0.960 374 S CA 1.693 59.892 58.200 -0.002 0.000 2.976 374 S CB -2.200 60.995 63.200 -0.009 0.000 2.102 374 S HN 0.617 nan 8.310 nan 0.000 0.481 375 G N 0.416 109.214 108.800 -0.004 0.000 2.740 375 G HA2 0.019 3.979 3.960 0.000 0.000 0.208 375 G HA3 0.019 3.979 3.960 0.000 0.000 0.208 375 G C 0.595 175.505 174.900 0.017 0.000 1.148 375 G CA 0.496 45.599 45.100 0.006 0.000 0.795 375 G HN 0.870 nan 8.290 nan 0.000 0.526 376 c N 2.678 121.287 118.600 0.015 0.000 2.573 376 c HA 0.304 4.875 4.570 0.000 0.000 0.369 376 c C 0.323 174.473 174.090 0.101 0.000 1.205 376 c CA -1.288 55.070 56.329 0.049 0.000 1.535 376 c CB -1.236 41.285 42.510 0.017 0.000 2.159 376 c HN 0.400 nan 8.230 nan 0.000 0.558 377 E N 3.839 124.104 120.200 0.108 0.000 2.283 377 E HA 0.123 4.473 4.350 0.000 0.000 0.278 377 E C 0.852 177.547 176.600 0.158 0.000 1.027 377 E CA 0.287 56.751 56.400 0.107 0.000 0.843 377 E CB 0.589 30.332 29.700 0.071 0.000 1.062 377 E HN 0.967 nan 8.360 nan 0.000 0.401 378 N N 0.208 118.986 118.700 0.129 0.000 2.690 378 N HA -0.269 4.471 4.740 0.000 0.000 0.249 378 N C -0.749 174.887 175.510 0.211 0.000 1.125 378 N CA 1.110 54.242 53.050 0.137 0.000 0.794 378 N CB -1.686 36.849 38.487 0.080 0.000 1.152 378 N HN 0.351 nan 8.380 nan 0.000 0.571 379 I N -0.151 120.577 120.570 0.264 0.000 2.433 379 I HA 0.469 4.639 4.170 0.000 0.000 0.292 379 I C 0.018 176.317 176.117 0.302 0.000 1.001 379 I CA -0.670 60.807 61.300 0.295 0.000 1.119 379 I CB 1.965 40.192 38.000 0.379 0.000 1.289 379 I HN 0.291 nan 8.210 nan 0.000 0.438 380 S N 4.074 119.857 115.700 0.139 0.000 2.532 380 S HA 0.944 5.414 4.470 0.000 0.000 0.301 380 S C -0.557 173.835 174.600 -0.347 0.000 1.083 380 S CA -0.434 57.791 58.200 0.043 0.000 1.025 380 S CB 1.584 64.760 63.200 -0.039 0.000 1.056 380 S HN 0.886 nan 8.310 nan 0.000 0.494 381 G N 1.194 109.626 108.800 -0.614 0.000 2.753 381 G HA2 0.760 4.720 3.960 0.000 0.000 0.295 381 G HA3 0.760 4.720 3.960 0.000 0.000 0.295 381 G C -1.217 172.998 174.900 -1.142 0.000 1.437 381 G CA -0.091 44.083 45.100 -1.544 0.000 1.094 381 G HN 1.235 nan 8.290 nan 0.000 0.540 382 A N 1.436 123.559 122.820 -1.161 0.000 2.566 382 A HA 0.747 5.067 4.320 0.000 0.000 0.297 382 A C -1.201 176.091 177.584 -0.485 0.000 1.059 382 A CA -0.780 50.992 52.037 -0.441 0.000 0.691 382 A CB 0.927 19.798 19.000 -0.215 0.000 1.282 382 A HN 0.680 nan 8.150 nan 0.000 0.401 383 F N 1.016 120.905 119.950 -0.101 0.000 2.496 383 F HA 0.502 5.029 4.527 0.000 0.000 0.344 383 F C 1.104 176.853 175.800 -0.084 0.000 1.155 383 F CA 1.441 59.449 58.000 0.013 0.000 1.302 383 F CB 1.078 40.163 39.000 0.143 0.000 1.159 383 F HN 0.855 nan 8.300 nan 0.000 0.595 384 A N 0.944 123.798 122.820 0.056 0.000 2.464 384 A HA 0.688 5.009 4.320 0.000 0.000 0.268 384 A C -0.339 177.279 177.584 0.058 0.000 1.244 384 A CA -0.313 51.724 52.037 -0.000 0.000 0.871 384 A CB 0.150 19.090 19.000 -0.101 0.000 1.400 384 A HN 0.766 nan 8.150 nan 0.000 0.455 385 S N 0.570 116.280 115.700 0.017 0.000 2.550 385 S HA 0.021 4.491 4.470 0.000 0.000 0.285 385 S C 0.382 175.007 174.600 0.041 0.000 1.326 385 S CA 0.477 58.692 58.200 0.025 0.000 1.037 385 S CB -0.214 62.987 63.200 0.001 0.000 0.838 385 S HN 0.791 nan 8.310 nan 0.000 0.519 386 N N 1.492 120.219 118.700 0.045 0.000 2.701 386 N HA -0.215 4.525 4.740 0.000 0.000 0.252 386 N C 0.031 175.591 175.510 0.084 0.000 1.002 386 N CA 1.026 54.106 53.050 0.051 0.000 0.758 386 N CB -0.666 37.838 38.487 0.028 0.000 0.937 386 N HN 0.693 nan 8.380 nan 0.000 0.538 387 R N -3.370 117.219 120.500 0.147 0.000 3.951 387 R HA -0.141 4.199 4.340 0.000 0.000 0.352 387 R C -0.102 176.318 176.300 0.200 0.000 1.178 387 R CA 1.348 57.605 56.100 0.262 0.000 0.949 387 R CB -2.738 27.684 30.300 0.204 0.000 1.452 387 R HN 0.393 nan 8.270 nan 0.000 0.540 388 T N -0.047 114.555 114.554 0.080 0.000 2.788 388 T HA 0.476 4.827 4.350 0.000 0.000 0.287 388 T C 0.016 174.637 174.700 -0.132 0.000 1.007 388 T CA -0.057 62.018 62.100 -0.042 0.000 1.005 388 T CB 0.889 69.708 68.868 -0.082 0.000 1.012 388 T HN 0.203 nan 8.240 nan 0.000 0.530 389 F N 1.682 121.358 119.950 -0.458 0.000 2.612 389 F HA 0.325 4.852 4.527 0.000 0.000 0.332 389 F C -1.410 174.090 175.800 -0.501 0.000 1.167 389 F CA -1.134 56.461 58.000 -0.674 0.000 0.970 389 F CB 1.137 39.561 39.000 -0.961 0.000 1.234 389 F HN 0.362 nan 8.300 nan 0.000 0.453 390 D N 7.254 127.133 120.400 -0.868 0.000 2.249 390 D HA 0.364 5.004 4.640 0.000 0.000 0.246 390 D C -0.024 175.749 176.300 -0.879 0.000 1.114 390 D CA 0.276 53.874 54.000 -0.669 0.000 0.854 390 D CB 2.017 42.551 40.800 -0.443 0.000 1.132 390 D HN 0.440 nan 8.370 nan 0.000 0.461 391 I N 1.628 121.885 120.570 -0.521 0.000 2.354 391 I HA 0.140 4.310 4.170 0.000 0.000 0.292 391 I C -0.005 175.976 176.117 -0.226 0.000 0.989 391 I CA -0.440 60.609 61.300 -0.419 0.000 1.188 391 I CB 1.440 39.362 38.000 -0.130 0.000 1.342 391 I HN 0.093 nan 8.210 nan 0.000 0.457 392 T N 5.814 120.231 114.554 -0.230 0.000 2.801 392 T HA 0.315 4.666 4.350 0.000 0.000 0.306 392 T C -0.072 174.567 174.700 -0.101 0.000 1.020 392 T CA -0.420 61.590 62.100 -0.150 0.000 0.948 392 T CB 1.009 69.792 68.868 -0.142 0.000 0.962 392 T HN 0.143 nan 8.240 nan 0.000 0.465 393 V N 3.933 123.748 119.914 -0.164 0.000 2.406 393 V HA 0.334 4.454 4.120 0.000 0.000 0.272 393 V C 1.091 177.093 176.094 -0.152 0.000 1.043 393 V CA -0.122 62.082 62.300 -0.160 0.000 0.915 393 V CB 1.326 32.852 31.823 -0.496 0.000 0.988 393 V HN 1.055 nan 8.190 nan 0.000 0.466 394 S N 2.468 118.152 115.700 -0.028 0.000 2.701 394 S HA 0.177 4.648 4.470 0.000 0.000 0.242 394 S C 0.965 175.553 174.600 -0.021 0.000 1.025 394 S CA 0.234 58.420 58.200 -0.023 0.000 1.016 394 S CB 0.483 63.682 63.200 -0.002 0.000 0.977 394 S HN 0.835 nan 8.310 nan 0.000 0.546 395 G N 3.236 112.012 108.800 -0.041 0.000 2.690 395 G HA2 0.446 4.406 3.960 0.000 0.000 0.294 395 G HA3 0.446 4.406 3.960 0.000 0.000 0.294 395 G C -0.064 174.755 174.900 -0.134 0.000 0.793 395 G CA -0.539 44.476 45.100 -0.141 0.000 1.818 395 G HN 0.646 nan 8.290 nan 0.000 0.515 396 L N 2.319 123.505 121.223 -0.063 0.000 2.278 396 L HA 0.867 5.207 4.340 0.000 0.000 0.287 396 L C 0.443 177.285 176.870 -0.047 0.000 1.072 396 L CA -0.591 54.235 54.840 -0.023 0.000 0.819 396 L CB 1.177 43.247 42.059 0.018 0.000 1.176 396 L HN 0.217 nan 8.230 nan 0.000 0.435 397 G N 1.848 110.621 108.800 -0.044 0.000 3.251 397 G HA2 0.622 4.582 3.960 0.000 0.000 0.248 397 G HA3 0.622 4.582 3.960 0.000 0.000 0.248 397 G C -0.375 174.509 174.900 -0.026 0.000 1.320 397 G CA -0.088 44.984 45.100 -0.046 0.000 0.982 397 G HN 0.709 nan 8.290 nan 0.000 0.575 398 T N -2.999 111.542 114.554 -0.022 0.000 3.571 398 T HA 0.627 4.978 4.350 0.000 0.000 0.292 398 T C -0.184 174.514 174.700 -0.003 0.000 0.994 398 T CA 0.373 62.463 62.100 -0.017 0.000 0.996 398 T CB 0.538 69.393 68.868 -0.022 0.000 1.185 398 T HN 1.507 nan 8.240 nan 0.000 0.482 399 A N 2.618 125.443 122.820 0.008 0.000 2.684 399 A HA 0.669 4.989 4.320 0.000 0.000 0.289 399 A C -2.913 174.706 177.584 0.057 0.000 1.139 399 A CA -1.499 50.553 52.037 0.025 0.000 0.793 399 A CB 0.827 19.835 19.000 0.013 0.000 1.334 399 A HN 0.149 nan 8.150 nan 0.000 0.408 400 P HA -0.150 nan 4.420 nan 0.000 0.214 400 P C -0.496 176.924 177.300 0.200 0.000 0.970 400 P CA 0.854 64.045 63.100 0.152 0.000 1.047 400 P CB -0.027 31.745 31.700 0.121 0.000 1.015 401 K N 2.532 123.092 120.400 0.267 0.000 2.249 401 K HA 0.248 4.568 4.320 0.000 0.000 0.280 401 K C 0.543 177.484 176.600 0.568 0.000 1.033 401 K CA -0.051 56.460 56.287 0.375 0.000 0.946 401 K CB 0.590 33.246 32.500 0.260 0.000 1.005 401 K HN 0.272 nan 8.250 nan 0.000 0.469 402 T N 3.294 118.126 114.554 0.464 0.000 2.743 402 T HA 0.294 4.645 4.350 0.000 0.000 0.292 402 T C -0.087 174.765 174.700 0.253 0.000 0.972 402 T CA -0.699 61.574 62.100 0.288 0.000 0.967 402 T CB 0.657 69.616 68.868 0.152 0.000 0.926 402 T HN 0.291 nan 8.240 nan 0.000 0.459 403 L N 4.460 125.751 121.223 0.113 0.000 2.307 403 L HA 0.601 4.941 4.340 0.000 0.000 0.282 403 L C -0.748 176.010 176.870 -0.187 0.000 1.051 403 L CA -0.534 54.199 54.840 -0.179 0.000 0.804 403 L CB 0.631 42.530 42.059 -0.266 0.000 1.197 403 L HN 0.636 nan 8.230 nan 0.000 0.431 404 I N 6.804 127.233 120.570 -0.236 0.000 2.310 404 I HA 0.298 4.469 4.170 0.000 0.000 0.287 404 I C -0.319 175.720 176.117 -0.131 0.000 1.073 404 I CA -0.212 60.921 61.300 -0.278 0.000 1.216 404 I CB 0.376 37.978 38.000 -0.663 0.000 1.415 404 I HN 0.514 nan 8.210 nan 0.000 0.480 405 I N 4.954 125.498 120.570 -0.044 0.000 2.499 405 I HA 0.356 4.526 4.170 0.000 0.000 0.296 405 I C 0.253 176.426 176.117 0.093 0.000 0.992 405 I CA -0.140 61.183 61.300 0.038 0.000 1.297 405 I CB 1.446 39.480 38.000 0.056 0.000 1.410 405 I HN 0.388 nan 8.210 nan 0.000 0.507 406 T N 5.203 119.795 114.554 0.064 0.000 2.928 406 T HA 0.418 4.768 4.350 0.000 0.000 0.296 406 T C -0.667 174.069 174.700 0.060 0.000 1.000 406 T CA -0.649 61.512 62.100 0.103 0.000 0.989 406 T CB 1.679 70.630 68.868 0.138 0.000 1.005 406 T HN 0.572 nan 8.240 nan 0.000 0.442 407 R N 1.750 122.306 120.500 0.093 0.000 2.711 407 R HA 0.799 5.139 4.340 0.000 0.000 0.284 407 R C -1.015 175.316 176.300 0.052 0.000 0.968 407 R CA -0.529 55.596 56.100 0.043 0.000 0.924 407 R CB 1.607 31.935 30.300 0.048 0.000 1.162 407 R HN 0.663 nan 8.270 nan 0.000 0.465 408 T N 1.201 115.774 114.554 0.033 0.000 3.032 408 T HA 0.641 4.991 4.350 0.000 0.000 0.312 408 T C -0.663 174.038 174.700 0.002 0.000 1.078 408 T CA -0.484 61.606 62.100 -0.016 0.000 1.028 408 T CB 1.446 70.256 68.868 -0.097 0.000 1.091 408 T HN 0.746 nan 8.240 nan 0.000 0.457 409 A N 2.508 125.347 122.820 0.031 0.000 2.280 409 A HA 0.565 4.885 4.320 0.000 0.000 0.268 409 A C 1.755 179.458 177.584 0.197 0.000 1.111 409 A CA 0.241 52.341 52.037 0.106 0.000 0.814 409 A CB -0.058 18.992 19.000 0.082 0.000 1.093 409 A HN 1.201 nan 8.150 nan 0.000 0.498 410 T N -0.700 113.994 114.554 0.233 0.000 3.007 410 T HA -0.103 4.247 4.350 0.000 0.000 0.270 410 T C 1.217 176.069 174.700 0.255 0.000 1.107 410 T CA 2.095 64.373 62.100 0.296 0.000 1.118 410 T CB -0.738 68.219 68.868 0.148 0.000 0.889 410 T HN 0.651 nan 8.240 nan 0.000 0.506 411 N N 1.017 119.816 118.700 0.164 0.000 2.457 411 N HA 0.316 5.056 4.740 0.000 0.000 0.180 411 N C 1.172 176.765 175.510 0.137 0.000 1.050 411 N CA 0.851 53.975 53.050 0.124 0.000 0.906 411 N CB -0.100 38.432 38.487 0.074 0.000 0.968 411 N HN 0.498 nan 8.380 nan 0.000 0.445 412 A N -1.517 121.380 122.820 0.129 0.000 3.141 412 A HA -0.166 4.154 4.320 0.000 0.000 0.242 412 A C 0.371 177.982 177.584 0.044 0.000 1.313 412 A CA 0.849 52.959 52.037 0.122 0.000 1.060 412 A CB -2.703 16.462 19.000 0.275 0.000 1.153 412 A HN 0.190 nan 8.150 nan 0.000 0.847 413 T N 3.340 117.907 114.554 0.021 0.000 3.182 413 T HA 0.416 4.766 4.350 0.000 0.000 0.274 413 T C 0.805 175.493 174.700 -0.019 0.000 0.997 413 T CA 0.731 62.826 62.100 -0.008 0.000 1.082 413 T CB -0.417 68.452 68.868 0.002 0.000 1.005 413 T HN 0.944 nan 8.240 nan 0.000 0.688 414 T N 0.655 115.181 114.554 -0.046 0.000 2.898 414 T HA 0.468 4.818 4.350 0.000 0.000 0.301 414 T C 0.357 175.037 174.700 -0.035 0.000 1.049 414 T CA -0.833 61.247 62.100 -0.033 0.000 1.095 414 T CB 1.341 70.166 68.868 -0.072 0.000 0.976 414 T HN 0.453 nan 8.240 nan 0.000 0.539 415 T N 0.516 115.065 114.554 -0.008 0.000 3.071 415 T HA 0.493 4.843 4.350 0.000 0.000 0.311 415 T C -1.121 173.569 174.700 -0.016 0.000 1.042 415 T CA -0.659 61.413 62.100 -0.047 0.000 1.028 415 T CB 1.315 70.150 68.868 -0.056 0.000 1.068 415 T HN 0.703 nan 8.240 nan 0.000 0.451 416 T N 5.712 120.229 114.554 -0.062 0.000 2.809 416 T HA 0.452 4.802 4.350 0.000 0.000 0.296 416 T C 0.027 174.696 174.700 -0.053 0.000 1.015 416 T CA -0.670 61.435 62.100 0.008 0.000 0.954 416 T CB 0.270 69.157 68.868 0.031 0.000 0.950 416 T HN 0.662 nan 8.240 nan 0.000 0.450 417 H N 2.058 121.120 119.070 -0.013 0.000 2.408 417 H HA 0.498 5.054 4.556 0.000 0.000 0.345 417 H C 0.331 175.589 175.328 -0.117 0.000 1.547 417 H CA -0.741 55.283 56.048 -0.039 0.000 1.447 417 H CB 1.015 30.794 29.762 0.029 0.000 1.686 417 H HN 0.402 nan 8.280 nan 0.000 0.625 418 K N 1.261 121.642 120.400 -0.032 0.000 2.987 418 K HA 0.171 4.491 4.320 0.000 0.000 0.224 418 K C -1.283 175.176 176.600 -0.235 0.000 1.209 418 K CA -0.212 55.992 56.287 -0.139 0.000 0.971 418 K CB 0.223 32.652 32.500 -0.119 0.000 1.252 418 K HN 0.423 nan 8.250 nan 0.000 0.580 419 V N 0.544 120.214 119.914 -0.407 0.000 2.811 419 V HA 0.449 4.569 4.120 0.000 0.000 0.302 419 V C 0.270 176.040 176.094 -0.539 0.000 1.063 419 V CA -0.573 61.323 62.300 -0.673 0.000 1.088 419 V CB 1.273 32.398 31.823 -1.165 0.000 0.982 419 V HN 0.621 nan 8.190 nan 0.000 0.485 420 I N 4.583 124.840 120.570 -0.522 0.000 2.595 420 I HA 0.407 4.577 4.170 0.000 0.000 0.276 420 I C -0.869 175.160 176.117 -0.147 0.000 1.109 420 I CA -0.682 60.486 61.300 -0.220 0.000 1.084 420 I CB 0.819 38.776 38.000 -0.073 0.000 1.206 420 I HN 0.705 nan 8.210 nan 0.000 0.486 421 F N 5.533 125.554 119.950 0.117 0.000 2.518 421 F HA 0.062 4.589 4.527 -0.000 0.000 0.375 421 F C 2.011 177.934 175.800 0.206 0.000 1.097 421 F CA 0.067 58.193 58.000 0.209 0.000 1.108 421 F CB 0.254 39.430 39.000 0.293 0.000 1.078 421 F HN 0.559 nan 8.300 nan 0.000 0.564 422 S N 2.938 118.811 115.700 0.288 0.000 2.474 422 S HA -0.123 4.348 4.470 0.000 0.000 0.235 422 S C 1.048 175.714 174.600 0.109 0.000 0.997 422 S CA 0.304 58.598 58.200 0.156 0.000 0.949 422 S CB -0.521 62.733 63.200 0.089 0.000 0.766 422 S HN 0.770 nan 8.310 nan 0.000 0.517 423 K N 0.815 121.320 120.400 0.175 0.000 2.284 423 K HA -0.298 4.022 4.320 0.000 0.000 0.253 423 K C 0.344 176.682 176.600 -0.437 0.000 1.569 423 K CA 0.413 56.504 56.287 -0.327 0.000 0.772 423 K CB -2.273 30.256 32.500 0.050 0.000 0.801 423 K HN 1.073 nan 8.250 nan 0.000 0.913 424 A N 1.992 124.565 122.820 -0.412 0.000 2.494 424 A HA -0.034 4.286 4.320 0.000 0.000 0.291 424 A C -0.752 176.739 177.584 -0.155 0.000 0.951 424 A CA 0.415 52.303 52.037 -0.249 0.000 1.099 424 A CB -0.551 18.367 19.000 -0.137 0.000 0.783 424 A HN 0.573 nan 8.150 nan 0.000 0.433 425 P HA 0.067 nan 4.420 nan 0.000 0.228 425 P C -0.079 177.188 177.300 -0.055 0.000 1.166 425 P CA 0.321 63.374 63.100 -0.079 0.000 0.812 425 P CB 0.052 31.709 31.700 -0.072 0.000 0.857 426 E N -1.481 118.682 120.200 -0.062 0.000 7.682 426 E HA -0.049 4.301 4.350 0.000 0.000 0.456 426 E C 0.014 176.596 176.600 -0.030 0.000 0.479 426 E CA 0.141 56.515 56.400 -0.043 0.000 0.871 426 E CB -1.510 28.170 29.700 -0.034 0.000 0.970 426 E HN 0.353 nan 8.360 nan 0.000 0.262 427 S N 1.492 117.177 115.700 -0.025 0.000 2.573 427 S HA 0.385 4.855 4.470 0.000 0.000 0.297 427 S C 0.782 175.374 174.600 -0.013 0.000 1.280 427 S CA 1.040 59.230 58.200 -0.017 0.000 1.061 427 S CB 0.077 63.268 63.200 -0.014 0.000 0.812 427 S HN 0.709 nan 8.310 nan 0.000 0.500 428 T N 1.530 116.078 114.554 -0.010 0.000 2.930 428 T HA 0.560 4.911 4.350 0.000 0.000 0.306 428 T C 1.762 176.458 174.700 -0.007 0.000 1.045 428 T CA 0.550 62.645 62.100 -0.007 0.000 1.134 428 T CB -0.698 68.167 68.868 -0.005 0.000 0.961 428 T HN 1.133 nan 8.240 nan 0.000 0.545 429 T N 1.622 116.173 114.554 -0.006 0.000 2.597 429 T HA 0.049 4.400 4.350 0.000 0.000 0.267 429 T C 1.974 176.672 174.700 -0.004 0.000 1.053 429 T CA 2.959 65.056 62.100 -0.005 0.000 1.165 429 T CB -1.604 67.261 68.868 -0.004 0.000 0.863 429 T HN 1.070 nan 8.240 nan 0.000 0.427 430 T N 0.346 114.898 114.554 -0.003 0.000 3.722 430 T HA 0.588 4.938 4.350 0.000 0.000 0.247 430 T C 2.115 176.813 174.700 -0.003 0.000 1.004 430 T CA 1.172 63.271 62.100 -0.003 0.000 0.947 430 T CB -1.280 67.587 68.868 -0.002 0.000 1.114 430 T HN 0.726 nan 8.240 nan 0.000 0.633 431 S N 2.019 117.717 115.700 -0.003 0.000 2.359 431 S HA 0.090 4.560 4.470 0.000 0.000 0.223 431 S C 1.284 175.883 174.600 -0.002 0.000 1.039 431 S CA 1.721 59.919 58.200 -0.003 0.000 1.042 431 S CB -1.732 61.465 63.200 -0.005 0.000 0.915 431 S HN 0.546 nan 8.310 nan 0.000 0.439 432 P HA 0.489 nan 4.420 nan 0.000 0.242 432 P C 0.948 178.247 177.300 -0.001 0.000 1.197 432 P CA 2.304 65.403 63.100 -0.002 0.000 0.765 432 P CB -0.518 31.181 31.700 -0.002 0.000 0.936 433 T N -3.642 110.911 114.554 -0.001 0.000 3.384 433 T HA 0.463 4.813 4.350 0.000 0.000 0.151 433 T C 1.742 176.441 174.700 -0.001 0.000 0.896 433 T CA 1.166 63.266 62.100 -0.001 0.000 0.896 433 T CB -0.613 68.254 68.868 -0.001 0.000 1.319 433 T HN 0.992 nan 8.240 nan 0.000 0.293 434 L N 1.976 123.198 121.223 -0.001 0.000 4.063 434 L HA -0.143 4.197 4.340 0.000 0.000 0.468 434 L C 0.153 177.023 176.870 -0.000 0.000 1.118 434 L CA 1.521 56.361 54.840 -0.001 0.000 0.814 434 L CB -2.884 39.175 42.059 -0.001 0.000 1.754 434 L HN 0.712 nan 8.230 nan 0.000 0.897 435 N N 1.389 120.089 118.700 0.000 0.000 2.589 435 N HA 0.642 5.382 4.740 0.000 0.000 0.232 435 N C 0.600 176.111 175.510 0.000 0.000 1.015 435 N CA 0.511 53.561 53.050 0.000 0.000 0.931 435 N CB 0.790 39.277 38.487 0.000 0.000 1.150 435 N HN 0.918 nan 8.380 nan 0.000 0.512 436 T N 0.158 114.712 114.554 0.000 0.000 2.936 436 T HA 0.808 5.158 4.350 0.000 0.000 0.282 436 T C 0.322 175.022 174.700 0.001 0.000 1.003 436 T CA -0.418 61.682 62.100 0.000 0.000 1.005 436 T CB 1.314 70.183 68.868 0.000 0.000 1.097 436 T HN 0.410 nan 8.240 nan 0.000 0.532 437 T N -0.139 114.415 114.554 0.000 0.000 3.047 437 T HA 0.661 5.011 4.350 0.000 0.000 0.340 437 T C 0.151 174.851 174.700 0.000 0.000 1.421 437 T CA -0.128 61.972 62.100 0.001 0.000 1.090 437 T CB 0.569 69.437 68.868 0.001 0.000 1.292 437 T HN 1.208 nan 8.240 nan 0.000 0.480 438 G N -0.075 108.725 108.800 0.001 0.000 2.335 438 G HA2 0.620 4.581 3.960 0.000 0.000 0.268 438 G HA3 0.620 4.581 3.960 0.000 0.000 0.268 438 G C 0.469 175.369 174.900 0.000 0.000 1.228 438 G CA 0.933 46.033 45.100 0.000 0.000 0.968 438 G HN 1.771 nan 8.290 nan 0.000 0.459 439 F N 0.073 120.023 119.950 0.000 0.000 2.764 439 F HA 0.648 5.175 4.527 0.000 0.000 0.342 439 F C 1.768 177.568 175.800 0.000 0.000 0.873 439 F CA 0.683 58.683 58.000 0.000 0.000 1.086 439 F CB 0.085 39.085 39.000 0.000 0.000 0.937 439 F HN 0.963 nan 8.300 nan 0.000 0.623 440 A N 0.134 122.954 122.820 0.000 0.000 2.500 440 A HA 0.783 5.104 4.320 0.000 0.000 0.267 440 A C 0.539 178.123 177.584 0.000 0.000 1.290 440 A CA 0.551 52.588 52.037 0.000 0.000 0.928 440 A CB -0.963 18.037 19.000 0.000 0.000 1.066 440 A HN 1.868 nan 8.150 nan 0.000 0.516 441 A N -0.649 122.171 122.820 0.000 0.000 2.515 441 A HA 0.779 5.099 4.320 0.000 0.000 0.298 441 A C -1.858 175.726 177.584 0.000 0.000 1.059 441 A CA -0.568 51.469 52.037 0.000 0.000 0.698 441 A CB -0.065 18.935 19.000 0.000 0.000 1.289 441 A HN 0.526 nan 8.150 nan 0.000 0.404 442 P HA 0.564 nan 4.420 nan 0.000 0.265 442 P C -0.212 177.088 177.300 0.000 0.000 1.193 442 P CA 1.115 64.215 63.100 0.000 0.000 0.765 442 P CB 0.108 31.808 31.700 0.000 0.000 0.823 443 N N 0.000 118.700 118.700 0.000 0.000 1.763 443 N HA 0.000 4.740 4.740 0.000 0.000 0.220 443 N CA 0.000 53.050 53.050 0.000 0.000 0.885 443 N CB 0.000 38.487 38.487 0.001 0.000 1.341 443 N HN 0.000 nan 8.380 nan 0.000 0.667