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 3n95_1_B DATA FIRST_RESID -369 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTNAAA EFAALLHSLL EANcSLALAE ELLLDGWGPP DATA SEQUENCE LDPEGPYSYc NTTLDQIGTc WPRSAAGALV ERPcPEYFNG VKYNTTRNAY DATA SEQUENCE REcLENGTWA SKINYSQcEP IL 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 -369 K HA 0.000 nan 4.320 nan 0.000 0.191 -369 K C 0.000 176.573 176.600 -0.044 0.000 0.988 -369 K CA 0.000 56.262 56.287 -0.041 0.000 0.838 -369 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 -368 I N 2.979 123.514 120.570 -0.058 0.000 2.529 -368 I HA 0.066 4.236 4.170 0.000 0.000 0.284 -368 I C 0.942 177.034 176.117 -0.042 0.000 1.082 -368 I CA -0.103 61.160 61.300 -0.060 0.000 1.406 -368 I CB 0.657 38.608 38.000 -0.082 0.000 1.405 -368 I HN 0.298 nan 8.210 nan 0.000 0.548 -367 E N 5.832 126.012 120.200 -0.034 0.000 2.324 -367 E HA 0.024 4.374 4.350 0.000 0.000 0.271 -367 E C -0.258 176.329 176.600 -0.022 0.000 1.028 -367 E CA -0.042 56.344 56.400 -0.023 0.000 0.890 -367 E CB 0.787 30.477 29.700 -0.017 0.000 1.004 -367 E HN 0.482 nan 8.360 nan 0.000 0.431 -366 E N 0.757 120.947 120.200 -0.016 0.000 2.316 -366 E HA 0.242 4.592 4.350 0.000 0.000 0.275 -366 E C 0.533 177.131 176.600 -0.004 0.000 1.029 -366 E CA 0.386 56.780 56.400 -0.010 0.000 0.871 -366 E CB 0.391 30.086 29.700 -0.008 0.000 1.022 -366 E HN 0.710 nan 8.360 nan 0.000 0.418 -365 G N 3.772 112.573 108.800 0.003 0.000 2.144 -365 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 -365 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 -365 G C -0.329 174.580 174.900 0.015 0.000 0.988 -365 G CA 0.395 45.501 45.100 0.011 0.000 0.659 -365 G HN 0.630 nan 8.290 nan 0.000 0.522 -364 K N -1.126 119.278 120.400 0.006 0.000 2.533 -364 K HA 0.870 5.191 4.320 0.000 0.000 0.284 -364 K C -1.009 175.573 176.600 -0.029 0.000 1.025 -364 K CA -1.315 54.973 56.287 0.002 0.000 0.900 -364 K CB 1.419 33.916 32.500 -0.005 0.000 1.519 -364 K HN 0.164 nan 8.250 nan 0.000 0.432 -363 L N 1.532 122.716 121.223 -0.066 0.000 2.376 -363 L HA 0.510 4.850 4.340 0.000 0.000 0.275 -363 L C -1.128 175.670 176.870 -0.121 0.000 0.987 -363 L CA -1.305 53.455 54.840 -0.133 0.000 0.828 -363 L CB 2.148 44.042 42.059 -0.275 0.000 1.249 -363 L HN 0.398 nan 8.230 nan 0.000 0.409 -362 V N 4.842 124.698 119.914 -0.096 0.000 2.394 -362 V HA 0.478 4.598 4.120 0.000 0.000 0.282 -362 V C 0.050 176.115 176.094 -0.049 0.000 1.031 -362 V CA -0.282 61.989 62.300 -0.047 0.000 0.881 -362 V CB 1.926 33.735 31.823 -0.024 0.000 0.982 -362 V HN 0.502 nan 8.190 nan 0.000 0.451 -361 I N 3.837 124.440 120.570 0.054 0.000 2.465 -361 I HA 0.420 4.590 4.170 0.000 0.000 0.291 -361 I C -1.154 175.202 176.117 0.398 0.000 1.014 -361 I CA -0.425 60.963 61.300 0.148 0.000 1.093 -361 I CB 2.057 40.117 38.000 0.100 0.000 1.267 -361 I HN 0.519 nan 8.210 nan 0.000 0.431 -360 W N 7.399 128.770 121.300 0.117 0.000 2.429 -360 W HA 0.669 5.329 4.660 0.000 0.000 0.314 -360 W C -0.312 176.329 176.519 0.203 0.000 1.062 -360 W CA -0.910 56.501 57.345 0.110 0.000 1.211 -360 W CB 1.145 30.655 29.460 0.083 0.000 1.305 -360 W HN 0.220 nan 8.180 nan 0.000 0.476 -359 I N 2.947 123.695 120.570 0.297 0.000 2.969 -359 I HA 0.322 4.493 4.170 0.000 0.000 0.307 -359 I C -0.322 175.874 176.117 0.131 0.000 1.149 -359 I CA -0.990 60.433 61.300 0.205 0.000 1.008 -359 I CB 1.887 39.861 38.000 -0.043 0.000 1.232 -359 I HN 0.191 nan 8.210 nan 0.000 0.435 -358 N N 2.770 121.528 118.700 0.097 0.000 2.518 -358 N HA 0.211 4.951 4.740 0.000 0.000 0.266 -358 N C 0.936 176.412 175.510 -0.057 0.000 1.196 -358 N CA 0.878 53.939 53.050 0.017 0.000 0.947 -358 N CB 1.578 39.965 38.487 -0.167 0.000 1.098 -358 N HN 0.729 nan 8.380 nan 0.000 0.450 -357 G N 1.078 109.835 108.800 -0.072 0.000 2.559 -357 G HA2 -0.217 3.744 3.960 0.000 0.000 0.216 -357 G HA3 -0.217 3.744 3.960 0.000 0.000 0.216 -357 G C 0.723 175.610 174.900 -0.022 0.000 1.126 -357 G CA 0.772 45.801 45.100 -0.117 0.000 0.778 -357 G HN 0.808 nan 8.290 nan 0.000 0.543 -356 D N -0.297 120.010 120.400 -0.155 0.000 2.354 -356 D HA 0.038 4.678 4.640 0.000 0.000 0.209 -356 D C 1.007 177.218 176.300 -0.150 0.000 1.015 -356 D CA 0.264 54.147 54.000 -0.195 0.000 0.867 -356 D CB 0.181 40.694 40.800 -0.479 0.000 0.933 -356 D HN 0.068 nan 8.370 nan 0.000 0.520 -355 K N 0.299 120.616 120.400 -0.139 0.000 2.209 -355 K HA 0.479 4.799 4.320 0.000 0.000 0.238 -355 K C 0.886 177.447 176.600 -0.065 0.000 1.028 -355 K CA -0.589 55.640 56.287 -0.098 0.000 0.935 -355 K CB 0.562 32.973 32.500 -0.148 0.000 1.162 -355 K HN 0.029 nan 8.250 nan 0.000 0.485 -354 G N 1.756 110.506 108.800 -0.084 0.000 3.213 -354 G HA2 0.086 4.046 3.960 0.000 0.000 0.263 -354 G HA3 0.086 4.046 3.960 0.000 0.000 0.263 -354 G C 0.699 175.508 174.900 -0.151 0.000 0.829 -354 G CA -0.141 44.870 45.100 -0.148 0.000 1.983 -354 G HN 0.598 nan 8.290 nan 0.000 0.616 -353 Y N -0.764 119.471 120.300 -0.110 0.000 2.439 -353 Y HA 0.041 4.591 4.550 0.000 0.000 0.292 -353 Y C 1.959 177.833 175.900 -0.042 0.000 1.130 -353 Y CA 0.704 58.747 58.100 -0.096 0.000 1.254 -353 Y CB -0.389 38.015 38.460 -0.093 0.000 1.000 -353 Y HN 0.366 nan 8.280 nan 0.000 0.554 -352 N N 0.674 119.226 118.700 -0.247 0.000 2.300 -352 N HA -0.025 4.716 4.740 0.000 0.000 0.179 -352 N C 2.191 177.683 175.510 -0.029 0.000 1.016 -352 N CA 0.786 53.787 53.050 -0.082 0.000 0.876 -352 N CB -0.367 38.021 38.487 -0.165 0.000 0.979 -352 N HN 0.534 nan 8.380 nan 0.000 0.432 -351 G N 1.450 110.213 108.800 -0.063 0.000 2.446 -351 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 -351 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 -351 G C 1.425 176.338 174.900 0.022 0.000 1.168 -351 G CA 0.526 45.616 45.100 -0.017 0.000 0.771 -351 G HN 0.154 nan 8.290 nan 0.000 0.551 -350 L N 1.423 122.657 121.223 0.018 0.000 2.042 -350 L HA 0.101 4.441 4.340 0.000 0.000 0.210 -350 L C 3.070 180.014 176.870 0.123 0.000 1.076 -350 L CA 2.130 57.007 54.840 0.060 0.000 0.749 -350 L CB -0.707 41.340 42.059 -0.020 0.000 0.893 -350 L HN 0.249 nan 8.230 nan 0.000 0.432 -349 A N -1.127 121.755 122.820 0.103 0.000 1.972 -349 A HA -0.155 4.165 4.320 0.000 0.000 0.219 -349 A C 2.097 179.747 177.584 0.110 0.000 1.169 -349 A CA 1.479 53.580 52.037 0.106 0.000 0.635 -349 A CB -0.473 18.593 19.000 0.110 0.000 0.810 -349 A HN 0.512 nan 8.150 nan 0.000 0.446 -348 E N -0.031 120.227 120.200 0.096 0.000 2.072 -348 E HA -0.109 4.241 4.350 0.000 0.000 0.191 -348 E C 2.196 178.877 176.600 0.136 0.000 0.985 -348 E CA 1.355 57.812 56.400 0.095 0.000 0.801 -348 E CB -0.664 29.075 29.700 0.065 0.000 0.750 -348 E HN 0.422 nan 8.360 nan 0.000 0.452 -347 V N 0.845 120.857 119.914 0.162 0.000 2.427 -347 V HA -0.147 3.973 4.120 0.000 0.000 0.248 -347 V C 2.401 178.717 176.094 0.369 0.000 1.051 -347 V CA 1.835 64.268 62.300 0.223 0.000 1.048 -347 V CB -1.105 30.816 31.823 0.163 0.000 0.666 -347 V HN 0.310 nan 8.190 nan 0.000 0.456 -346 G N -0.385 108.634 108.800 0.365 0.000 2.432 -346 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 -346 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 -346 G C 1.639 176.665 174.900 0.210 0.000 1.135 -346 G CA 0.797 46.060 45.100 0.271 0.000 0.767 -346 G HN 0.367 nan 8.290 nan 0.000 0.550 -345 K N 0.592 121.093 120.400 0.167 0.000 2.103 -345 K HA 0.077 4.397 4.320 0.000 0.000 0.204 -345 K C 2.300 178.980 176.600 0.133 0.000 1.052 -345 K CA 0.904 57.265 56.287 0.123 0.000 0.945 -345 K CB -0.267 32.292 32.500 0.098 0.000 0.722 -345 K HN 0.335 nan 8.250 nan 0.000 0.443 -344 K N -0.933 119.573 120.400 0.177 0.000 2.097 -344 K HA -0.108 4.212 4.320 0.000 0.000 0.205 -344 K C 2.023 178.726 176.600 0.172 0.000 1.050 -344 K CA 1.022 57.428 56.287 0.198 0.000 0.938 -344 K CB -0.201 32.460 32.500 0.268 0.000 0.718 -344 K HN 0.065 nan 8.250 nan 0.000 0.442 -343 F N 2.139 122.044 119.950 -0.074 0.000 2.146 -343 F HA -0.147 4.381 4.527 0.000 0.000 0.298 -343 F C 2.253 177.956 175.800 -0.163 0.000 1.096 -343 F CA 1.718 59.489 58.000 -0.381 0.000 1.275 -343 F CB -0.096 38.744 39.000 -0.266 0.000 1.008 -343 F HN 0.140 nan 8.300 nan 0.000 0.480 -342 E N 0.235 120.460 120.200 0.042 0.000 2.051 -342 E HA -0.248 4.102 4.350 0.000 0.000 0.192 -342 E C 2.260 178.825 176.600 -0.059 0.000 0.991 -342 E CA 1.351 57.741 56.400 -0.017 0.000 0.799 -342 E CB -0.092 29.637 29.700 0.049 0.000 0.748 -342 E HN 0.368 nan 8.360 nan 0.000 0.449 -341 K N 0.232 120.625 120.400 -0.013 0.000 2.044 -341 K HA -0.204 4.116 4.320 0.000 0.000 0.210 -341 K C 1.830 178.408 176.600 -0.036 0.000 1.049 -341 K CA 1.899 58.182 56.287 -0.005 0.000 0.927 -341 K CB -0.087 32.434 32.500 0.034 0.000 0.713 -341 K HN 0.162 nan 8.250 nan 0.000 0.443 -340 D N -0.869 119.492 120.400 -0.064 0.000 2.120 -340 D HA -0.090 4.550 4.640 0.000 0.000 0.202 -340 D C 1.949 178.160 176.300 -0.150 0.000 0.972 -340 D CA 1.767 55.729 54.000 -0.063 0.000 0.837 -340 D CB -0.173 40.647 40.800 0.033 0.000 0.989 -340 D HN 0.362 nan 8.370 nan 0.000 0.469 -339 T N -4.045 110.322 114.554 -0.312 0.000 3.014 -339 T HA 0.358 4.708 4.350 0.000 0.000 0.250 -339 T C 1.692 176.276 174.700 -0.194 0.000 1.060 -339 T CA 0.677 62.586 62.100 -0.320 0.000 1.040 -339 T CB 0.743 69.233 68.868 -0.630 0.000 0.971 -339 T HN 0.195 nan 8.240 nan 0.000 0.497 -338 G N 1.704 110.411 108.800 -0.154 0.000 2.184 -338 G HA2 -0.182 3.779 3.960 0.000 0.000 0.264 -338 G HA3 -0.182 3.779 3.960 0.000 0.000 0.264 -338 G C -0.004 174.863 174.900 -0.055 0.000 0.975 -338 G CA 0.051 45.104 45.100 -0.079 0.000 0.642 -338 G HN 0.560 nan 8.290 nan 0.000 0.536 -337 I N 1.398 121.922 120.570 -0.077 0.000 2.301 -337 I HA 0.247 4.417 4.170 0.000 0.000 0.292 -337 I C 0.877 177.042 176.117 0.081 0.000 1.046 -337 I CA -0.921 60.394 61.300 0.024 0.000 1.282 -337 I CB 1.123 39.190 38.000 0.111 0.000 1.409 -337 I HN 0.202 nan 8.210 nan 0.000 0.484 -336 K N 6.047 126.474 120.400 0.045 0.000 2.416 -336 K HA 0.265 4.585 4.320 0.000 0.000 0.283 -336 K C -1.016 175.596 176.600 0.021 0.000 1.037 -336 K CA -0.121 56.187 56.287 0.035 0.000 0.995 -336 K CB 0.685 33.195 32.500 0.017 0.000 0.938 -336 K HN 0.383 nan 8.250 nan 0.000 0.475 -335 V N 4.784 124.702 119.914 0.006 0.000 2.357 -335 V HA 0.179 4.299 4.120 0.000 0.000 0.284 -335 V C -0.521 175.543 176.094 -0.051 0.000 1.018 -335 V CA -0.692 61.560 62.300 -0.081 0.000 0.841 -335 V CB 1.670 33.393 31.823 -0.167 0.000 0.991 -335 V HN 0.851 nan 8.190 nan 0.000 0.437 -334 T N 4.837 119.363 114.554 -0.046 0.000 2.758 -334 T HA 0.499 4.849 4.350 0.000 0.000 0.285 -334 T C -0.195 174.515 174.700 0.018 0.000 0.981 -334 T CA -0.358 61.741 62.100 -0.001 0.000 0.965 -334 T CB 1.437 70.315 68.868 0.017 0.000 0.927 -334 T HN 0.304 nan 8.240 nan 0.000 0.448 -333 V N 4.258 124.196 119.914 0.040 0.000 2.370 -333 V HA 0.392 4.512 4.120 0.000 0.000 0.279 -333 V C 0.232 176.361 176.094 0.058 0.000 1.029 -333 V CA -0.652 61.691 62.300 0.071 0.000 0.870 -333 V CB 1.128 33.004 31.823 0.087 0.000 0.984 -333 V HN 0.838 nan 8.190 nan 0.000 0.451 -332 E N 2.505 122.743 120.200 0.063 0.000 2.263 -332 E HA 0.604 4.955 4.350 0.000 0.000 0.264 -332 E C -1.021 175.458 176.600 -0.201 0.000 0.923 -332 E CA -0.796 55.531 56.400 -0.122 0.000 0.802 -332 E CB 1.817 31.448 29.700 -0.115 0.000 1.228 -332 E HN 0.982 nan 8.360 nan 0.000 0.417 -331 H N -0.618 118.224 119.070 -0.380 0.000 2.380 -331 H HA 0.399 4.955 4.556 0.000 0.000 0.231 -331 H C -2.746 172.355 175.328 -0.379 0.000 1.415 -331 H CA -2.349 53.460 56.048 -0.398 0.000 1.433 -331 H CB -0.334 29.090 29.762 -0.565 0.000 1.544 -331 H HN 0.147 nan 8.280 nan 0.000 0.503 -330 P HA 0.075 nan 4.420 nan 0.000 0.271 -330 P C 0.016 177.154 177.300 -0.269 0.000 1.218 -330 P CA -0.251 62.561 63.100 -0.481 0.000 0.780 -330 P CB 0.892 32.115 31.700 -0.794 0.000 0.901 -329 D N 1.988 122.276 120.400 -0.187 0.000 2.443 -329 D HA 0.013 4.653 4.640 0.000 0.000 0.239 -329 D C 0.354 176.594 176.300 -0.100 0.000 1.136 -329 D CA 0.373 54.314 54.000 -0.099 0.000 0.879 -329 D CB 0.179 40.939 40.800 -0.067 0.000 1.195 -329 D HN 0.314 nan 8.370 nan 0.000 0.443 -328 K N 0.641 121.010 120.400 -0.052 0.000 3.150 -328 K HA -0.227 4.093 4.320 0.000 0.000 0.267 -328 K C 1.148 177.683 176.600 -0.109 0.000 1.028 -328 K CA 0.098 56.348 56.287 -0.061 0.000 0.753 -328 K CB -1.328 31.151 32.500 -0.035 0.000 1.288 -328 K HN 0.380 nan 8.250 nan 0.000 0.473 -327 L N -0.161 120.988 121.223 -0.122 0.000 2.156 -327 L HA -0.071 4.269 4.340 0.000 0.000 0.208 -327 L C 2.203 179.028 176.870 -0.074 0.000 1.095 -327 L CA 1.792 56.574 54.840 -0.096 0.000 0.770 -327 L CB -0.284 41.755 42.059 -0.032 0.000 0.914 -327 L HN 0.334 nan 8.230 nan 0.000 0.439 -326 E N 0.717 120.653 120.200 -0.439 0.000 2.409 -326 E HA -0.232 4.118 4.350 0.000 0.000 0.198 -326 E C 1.411 177.926 176.600 -0.141 0.000 1.024 -326 E CA 1.510 57.589 56.400 -0.535 0.000 0.861 -326 E CB -0.283 28.516 29.700 -1.503 0.000 0.788 -326 E HN 0.826 nan 8.360 nan 0.000 0.521 -325 E N 0.387 120.528 120.200 -0.099 0.000 2.290 -325 E HA 0.089 4.439 4.350 0.000 0.000 0.197 -325 E C 1.920 178.538 176.600 0.029 0.000 0.948 -325 E CA 0.011 56.404 56.400 -0.013 0.000 0.895 -325 E CB 0.283 29.968 29.700 -0.025 0.000 0.865 -325 E HN 0.150 nan 8.360 nan 0.000 0.486 -324 K N 0.513 120.945 120.400 0.053 0.000 2.057 -324 K HA -0.105 4.215 4.320 0.000 0.000 0.206 -324 K C 1.960 178.678 176.600 0.197 0.000 1.050 -324 K CA 0.920 57.275 56.287 0.112 0.000 0.935 -324 K CB -0.179 32.368 32.500 0.080 0.000 0.715 -324 K HN 0.038 nan 8.250 nan 0.000 0.439 -323 F N 3.304 123.336 119.950 0.137 0.000 2.043 -323 F HA -0.180 4.347 4.527 0.000 0.000 0.297 -323 F C -1.109 174.554 175.800 -0.227 0.000 1.121 -323 F CA 1.465 59.437 58.000 -0.047 0.000 1.199 -323 F CB -1.014 37.849 39.000 -0.228 0.000 0.968 -323 F HN 0.002 nan 8.300 nan 0.000 0.478 -322 P HA -0.166 nan 4.420 nan 0.000 0.222 -322 P C 1.205 178.351 177.300 -0.257 0.000 1.147 -322 P CA 1.609 64.492 63.100 -0.361 0.000 0.790 -322 P CB -0.203 31.480 31.700 -0.028 0.000 0.780 -321 Q N -0.073 119.636 119.800 -0.152 0.000 2.016 -321 Q HA -0.088 4.252 4.340 0.000 0.000 0.200 -321 Q C 2.291 178.209 176.000 -0.137 0.000 0.978 -321 Q CA 1.979 57.722 55.803 -0.100 0.000 0.833 -321 Q CB -0.517 28.201 28.738 -0.034 0.000 0.895 -321 Q HN 0.217 nan 8.270 nan 0.000 0.427 -320 V N -2.717 117.102 119.914 -0.159 0.000 2.535 -320 V HA 0.096 4.216 4.120 0.000 0.000 0.246 -320 V C 2.053 177.974 176.094 -0.289 0.000 1.045 -320 V CA 1.293 63.501 62.300 -0.154 0.000 1.058 -320 V CB -0.863 30.938 31.823 -0.037 0.000 0.689 -320 V HN 0.247 nan 8.190 nan 0.000 0.461 -319 A N 0.979 123.478 122.820 -0.535 0.000 1.972 -319 A HA 0.104 4.425 4.320 0.000 0.000 0.219 -319 A C 2.448 179.791 177.584 -0.401 0.000 1.169 -319 A CA 1.982 53.635 52.037 -0.639 0.000 0.635 -319 A CB -1.050 17.171 19.000 -1.297 0.000 0.810 -319 A HN 1.050 nan 8.150 nan 0.000 0.446 -318 A N -0.294 122.327 122.820 -0.332 0.000 2.139 -318 A HA -0.076 4.244 4.320 0.000 0.000 0.221 -318 A C 1.984 179.485 177.584 -0.139 0.000 1.159 -318 A CA 2.138 54.056 52.037 -0.198 0.000 0.662 -318 A CB -0.939 17.974 19.000 -0.146 0.000 0.796 -318 A HN 0.888 nan 8.150 nan 0.000 0.463 -317 T N -5.285 109.185 114.554 -0.141 0.000 3.182 -317 T HA 0.455 4.805 4.350 0.000 0.000 0.277 -317 T C 0.986 175.629 174.700 -0.095 0.000 1.013 -317 T CA 0.841 62.886 62.100 -0.093 0.000 0.900 -317 T CB -0.049 68.781 68.868 -0.065 0.000 1.098 -317 T HN 1.713 nan 8.240 nan 0.000 0.543 -316 G N 0.928 109.653 108.800 -0.126 0.000 2.198 -316 G HA2 -0.177 3.783 3.960 0.000 0.000 0.257 -316 G HA3 -0.177 3.783 3.960 0.000 0.000 0.257 -316 G C -0.430 174.398 174.900 -0.120 0.000 1.042 -316 G CA 0.198 45.230 45.100 -0.114 0.000 0.791 -316 G HN 0.690 nan 8.290 nan 0.000 0.502 -315 D N -0.908 119.396 120.400 -0.161 0.000 2.566 -315 D HA 0.685 5.325 4.640 0.000 0.000 0.254 -315 D C 0.662 176.818 176.300 -0.241 0.000 1.090 -315 D CA 1.055 54.964 54.000 -0.152 0.000 1.034 -315 D CB 1.773 42.511 40.800 -0.102 0.000 1.434 -315 D HN 1.406 nan 8.370 nan 0.000 0.509 -314 G N 0.661 109.319 108.800 -0.237 0.000 2.526 -314 G HA2 -0.078 3.882 3.960 0.000 0.000 0.250 -314 G HA3 -0.078 3.882 3.960 0.000 0.000 0.250 -314 G C -2.808 171.774 174.900 -0.530 0.000 1.289 -314 G CA -0.588 44.233 45.100 -0.465 0.000 0.947 -314 G HN 0.428 nan 8.290 nan 0.000 0.517 -313 P HA 0.297 nan 4.420 nan 0.000 0.274 -313 P C 0.056 177.159 177.300 -0.328 0.000 1.237 -313 P CA -0.108 62.576 63.100 -0.694 0.000 0.793 -313 P CB 0.846 31.886 31.700 -1.100 0.000 0.977 -312 D N 0.345 120.617 120.400 -0.215 0.000 2.149 -312 D HA 0.020 4.660 4.640 0.000 0.000 0.201 -312 D C 0.681 176.910 176.300 -0.118 0.000 0.972 -312 D CA 1.464 55.383 54.000 -0.136 0.000 0.835 -312 D CB 0.292 41.024 40.800 -0.113 0.000 0.966 -312 D HN 0.363 nan 8.370 nan 0.000 0.476 -311 I N 0.977 121.474 120.570 -0.122 0.000 2.582 -311 I HA 0.322 4.492 4.170 0.000 0.000 0.292 -311 I C -0.652 175.421 176.117 -0.073 0.000 1.066 -311 I CA -0.661 60.588 61.300 -0.085 0.000 1.053 -311 I CB 3.299 41.296 38.000 -0.005 0.000 1.241 -311 I HN -0.180 nan 8.210 nan 0.000 0.421 -310 I N 5.407 125.868 120.570 -0.182 0.000 2.465 -310 I HA 0.477 4.647 4.170 0.000 0.000 0.291 -310 I C -1.574 174.577 176.117 0.056 0.000 1.014 -310 I CA -0.547 60.678 61.300 -0.125 0.000 1.093 -310 I CB 1.725 39.294 38.000 -0.718 0.000 1.267 -310 I HN 0.395 nan 8.210 nan 0.000 0.431 -309 F N 7.793 127.888 119.950 0.241 0.000 2.426 -309 F HA 0.496 5.023 4.527 0.000 0.000 0.348 -309 F C -0.354 175.707 175.800 0.435 0.000 1.124 -309 F CA -0.137 58.044 58.000 0.300 0.000 1.008 -309 F CB 1.200 40.312 39.000 0.188 0.000 1.139 -309 F HN 0.435 nan 8.300 nan 0.000 0.452 -308 W N 2.009 123.483 121.300 0.291 0.000 2.959 -308 W HA 0.666 5.326 4.660 0.000 0.000 0.358 -308 W C -1.315 175.155 176.519 -0.082 0.000 1.228 -308 W CA -1.254 56.181 57.345 0.150 0.000 1.183 -308 W CB 1.633 31.283 29.460 0.316 0.000 1.467 -308 W HN 0.558 nan 8.180 nan 0.000 0.578 -307 A N 2.020 124.592 122.820 -0.413 0.000 2.445 -307 A HA 0.068 4.388 4.320 0.000 0.000 0.242 -307 A C 1.339 178.838 177.584 -0.142 0.000 1.075 -307 A CA 0.699 52.587 52.037 -0.248 0.000 0.777 -307 A CB -0.077 18.719 19.000 -0.341 0.000 1.013 -307 A HN 0.762 nan 8.150 nan 0.000 0.493 -306 H N 1.728 120.641 119.070 -0.262 0.000 2.457 -306 H HA -0.182 4.374 4.556 0.000 0.000 0.297 -306 H C 1.110 176.395 175.328 -0.071 0.000 1.092 -306 H CA 1.570 57.424 56.048 -0.324 0.000 1.309 -306 H CB -0.512 29.125 29.762 -0.209 0.000 1.382 -306 H HN 0.829 nan 8.280 nan 0.000 0.535 -305 D N 1.679 121.718 120.400 -0.601 0.000 2.190 -305 D HA -0.221 4.419 4.640 0.000 0.000 0.200 -305 D C 1.827 178.067 176.300 -0.101 0.000 0.992 -305 D CA 0.868 54.674 54.000 -0.324 0.000 0.854 -305 D CB -0.431 40.241 40.800 -0.213 0.000 0.936 -305 D HN 0.347 nan 8.370 nan 0.000 0.462 -304 R N -0.929 119.562 120.500 -0.016 0.000 2.275 -304 R HA 0.055 4.395 4.340 0.000 0.000 0.199 -304 R C 1.918 177.892 176.300 -0.543 0.000 0.989 -304 R CA 0.026 55.959 56.100 -0.277 0.000 1.016 -304 R CB -0.375 29.704 30.300 -0.367 0.000 0.918 -304 R HN 0.238 nan 8.270 nan 0.000 0.473 -303 F N 0.511 120.218 119.950 -0.405 0.000 2.259 -303 F HA 0.058 4.585 4.527 0.000 0.000 0.298 -303 F C 2.499 178.132 175.800 -0.277 0.000 1.088 -303 F CA 0.888 58.749 58.000 -0.233 0.000 1.358 -303 F CB -1.025 37.983 39.000 0.014 0.000 1.040 -303 F HN 0.082 nan 8.300 nan 0.000 0.505 -302 G N -0.134 108.552 108.800 -0.189 0.000 2.446 -302 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 -302 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 -302 G C 2.087 176.593 174.900 -0.658 0.000 1.168 -302 G CA 0.947 45.658 45.100 -0.649 0.000 0.771 -302 G HN 0.501 nan 8.290 nan 0.000 0.551 -301 G N -0.365 108.204 108.800 -0.385 0.000 2.408 -301 G HA2 -0.136 3.824 3.960 0.000 0.000 0.217 -301 G HA3 -0.136 3.824 3.960 0.000 0.000 0.217 -301 G C 1.617 176.464 174.900 -0.089 0.000 1.150 -301 G CA 0.960 45.918 45.100 -0.237 0.000 0.776 -301 G HN 0.386 nan 8.290 nan 0.000 0.542 -300 Y N 1.281 121.507 120.300 -0.124 0.000 2.163 -300 Y HA 0.076 4.626 4.550 0.000 0.000 0.288 -300 Y C 3.100 178.940 175.900 -0.100 0.000 1.136 -300 Y CA 0.134 58.180 58.100 -0.090 0.000 1.147 -300 Y CB -1.148 37.240 38.460 -0.119 0.000 0.987 -300 Y HN 0.259 nan 8.280 nan 0.000 0.509 -299 A N -0.286 122.536 122.820 0.003 0.000 1.898 -299 A HA -0.242 4.078 4.320 0.000 0.000 0.216 -299 A C 2.210 179.815 177.584 0.036 0.000 1.181 -299 A CA 1.786 53.828 52.037 0.008 0.000 0.620 -299 A CB -0.748 18.250 19.000 -0.004 0.000 0.819 -299 A HN 0.377 nan 8.150 nan 0.000 0.442 -298 Q N 0.596 120.365 119.800 -0.051 0.000 2.096 -298 Q HA -0.122 4.218 4.340 0.000 0.000 0.204 -298 Q C 1.974 178.009 176.000 0.059 0.000 0.982 -298 Q CA 2.335 58.182 55.803 0.074 0.000 0.850 -298 Q CB -0.602 28.143 28.738 0.012 0.000 0.901 -298 Q HN 0.528 nan 8.270 nan 0.000 0.422 -297 S N -0.931 114.789 115.700 0.033 0.000 2.607 -297 S HA 0.201 4.671 4.470 0.000 0.000 0.224 -297 S C 0.989 175.595 174.600 0.011 0.000 0.969 -297 S CA 0.608 58.822 58.200 0.023 0.000 0.927 -297 S CB -0.220 62.992 63.200 0.020 0.000 0.772 -297 S HN 0.694 nan 8.310 nan 0.000 0.533 -296 G N 1.197 110.013 108.800 0.027 0.000 2.160 -296 G HA2 -0.237 3.724 3.960 0.000 0.000 0.244 -296 G HA3 -0.237 3.724 3.960 0.000 0.000 0.244 -296 G C 0.462 175.357 174.900 -0.008 0.000 1.022 -296 G CA 0.352 45.463 45.100 0.018 0.000 0.741 -296 G HN 0.529 nan 8.290 nan 0.000 0.508 -295 L N -1.097 120.120 121.223 -0.010 0.000 2.554 -295 L HA 0.413 4.753 4.340 0.000 0.000 0.225 -295 L C 1.304 178.178 176.870 0.006 0.000 1.104 -295 L CA 0.198 55.003 54.840 -0.058 0.000 0.866 -295 L CB 0.076 42.047 42.059 -0.147 0.000 1.047 -295 L HN 0.193 nan 8.230 nan 0.000 0.468 -294 L N 0.361 121.604 121.223 0.033 0.000 2.317 -294 L HA 0.589 4.929 4.340 0.000 0.000 0.281 -294 L C 0.297 177.188 176.870 0.034 0.000 1.024 -294 L CA -0.605 54.252 54.840 0.029 0.000 0.810 -294 L CB 1.706 43.776 42.059 0.020 0.000 1.240 -294 L HN -0.069 nan 8.230 nan 0.000 0.427 -293 A N 2.438 125.276 122.820 0.030 0.000 2.388 -293 A HA 0.219 4.539 4.320 0.000 0.000 0.257 -293 A C 0.004 177.615 177.584 0.045 0.000 1.095 -293 A CA -0.322 51.735 52.037 0.034 0.000 0.791 -293 A CB 0.390 19.408 19.000 0.031 0.000 1.029 -293 A HN 0.778 nan 8.150 nan 0.000 0.489 -292 E N 1.210 121.434 120.200 0.040 0.000 2.344 -292 E HA 0.327 4.677 4.350 0.000 0.000 0.270 -292 E C -0.383 176.229 176.600 0.020 0.000 1.021 -292 E CA -0.213 56.209 56.400 0.036 0.000 0.887 -292 E CB 0.333 30.050 29.700 0.030 0.000 0.997 -292 E HN 0.568 nan 8.360 nan 0.000 0.429 -291 I N 1.157 121.721 120.570 -0.009 0.000 2.488 -291 I HA 0.385 4.556 4.170 0.000 0.000 0.299 -291 I C -0.055 176.025 176.117 -0.062 0.000 0.984 -291 I CA -0.577 60.696 61.300 -0.046 0.000 1.250 -291 I CB 1.870 39.735 38.000 -0.225 0.000 1.389 -291 I HN 0.311 nan 8.210 nan 0.000 0.488 -290 T N 2.388 116.929 114.554 -0.021 0.000 3.401 -290 T HA 0.494 4.844 4.350 0.000 0.000 0.341 -290 T C -2.396 172.298 174.700 -0.011 0.000 1.674 -290 T CA -1.349 60.735 62.100 -0.026 0.000 1.600 -290 T CB -0.060 68.806 68.868 -0.003 0.000 0.974 -290 T HN 0.551 nan 8.240 nan 0.000 0.672 -289 P HA 0.357 nan 4.420 nan 0.000 0.282 -289 P C -0.456 176.853 177.300 0.015 0.000 1.249 -289 P CA -0.278 62.843 63.100 0.035 0.000 0.806 -289 P CB 1.019 32.827 31.700 0.180 0.000 0.984 -288 D N 0.921 121.364 120.400 0.071 0.000 2.411 -288 D HA 0.073 4.713 4.640 0.000 0.000 0.251 -288 D C 1.223 177.559 176.300 0.060 0.000 1.201 -288 D CA -0.456 53.575 54.000 0.051 0.000 0.996 -288 D CB 0.618 41.453 40.800 0.059 0.000 1.101 -288 D HN 0.054 nan 8.370 nan 0.000 0.504 -287 K N 0.089 120.503 120.400 0.023 0.000 2.020 -287 K HA -0.209 4.111 4.320 0.000 0.000 0.212 -287 K C 1.976 178.603 176.600 0.045 0.000 1.050 -287 K CA 1.736 58.026 56.287 0.006 0.000 0.929 -287 K CB -0.950 31.551 32.500 0.002 0.000 0.714 -287 K HN 0.607 nan 8.250 nan 0.000 0.443 -286 A N 0.266 123.131 122.820 0.075 0.000 1.917 -286 A HA -0.202 4.118 4.320 0.000 0.000 0.219 -286 A C 2.201 179.863 177.584 0.131 0.000 1.182 -286 A CA 1.665 53.754 52.037 0.087 0.000 0.633 -286 A CB -0.827 18.226 19.000 0.090 0.000 0.819 -286 A HN 0.423 nan 8.150 nan 0.000 0.448 -285 F N 0.416 120.406 119.950 0.067 0.000 2.186 -285 F HA -0.160 4.367 4.527 0.000 0.000 0.299 -285 F C 2.568 178.499 175.800 0.218 0.000 1.090 -285 F CA 1.984 60.065 58.000 0.135 0.000 1.307 -285 F CB -0.172 38.932 39.000 0.172 0.000 1.019 -285 F HN 0.302 nan 8.300 nan 0.000 0.489 -284 Q N -0.184 119.747 119.800 0.219 0.000 2.124 -284 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 -284 Q C 1.517 177.627 176.000 0.183 0.000 0.977 -284 Q CA 1.528 57.422 55.803 0.152 0.000 0.850 -284 Q CB -0.257 28.323 28.738 -0.263 0.000 0.901 -284 Q HN 0.384 nan 8.270 nan 0.000 0.429 -283 D N 0.604 121.037 120.400 0.055 0.000 2.310 -283 D HA -0.099 4.541 4.640 0.000 0.000 0.212 -283 D C 1.226 177.497 176.300 -0.049 0.000 0.965 -283 D CA 0.983 54.994 54.000 0.018 0.000 0.879 -283 D CB 0.032 40.834 40.800 0.003 0.000 0.921 -283 D HN 0.185 nan 8.370 nan 0.000 0.510 -282 K N -0.351 119.977 120.400 -0.121 0.000 2.366 -282 K HA 0.085 4.405 4.320 0.000 0.000 0.198 -282 K C 0.590 177.016 176.600 -0.289 0.000 1.044 -282 K CA 0.393 56.540 56.287 -0.235 0.000 0.973 -282 K CB 0.444 32.722 32.500 -0.371 0.000 0.767 -282 K HN 0.131 nan 8.250 nan 0.000 0.475 -281 L N 0.441 121.541 121.223 -0.204 0.000 2.333 -281 L HA 0.340 4.680 4.340 0.000 0.000 0.269 -281 L C -0.368 176.380 176.870 -0.203 0.000 1.010 -281 L CA -1.388 53.274 54.840 -0.296 0.000 0.818 -281 L CB 0.717 42.508 42.059 -0.446 0.000 1.306 -281 L HN -0.092 nan 8.230 nan 0.000 0.430 -280 Y N 1.663 121.854 120.300 -0.182 0.000 2.610 -280 Y HA 0.007 4.557 4.550 0.000 0.000 0.332 -280 Y C -1.385 174.454 175.900 -0.102 0.000 1.201 -280 Y CA -1.019 57.010 58.100 -0.120 0.000 1.465 -280 Y CB -0.060 38.267 38.460 -0.221 0.000 1.283 -280 Y HN 0.441 nan 8.280 nan 0.000 0.563 -279 P HA -0.260 nan 4.420 nan 0.000 0.215 -279 P C 1.510 178.947 177.300 0.229 0.000 1.157 -279 P CA 1.814 65.096 63.100 0.303 0.000 0.874 -279 P CB -0.156 31.702 31.700 0.264 0.000 0.790 -278 F N -0.044 119.995 119.950 0.147 0.000 2.269 -278 F HA -0.140 4.387 4.527 0.000 0.000 0.301 -278 F C 1.831 177.644 175.800 0.022 0.000 1.082 -278 F CA 1.634 59.676 58.000 0.070 0.000 1.360 -278 F CB -2.199 36.814 39.000 0.022 0.000 1.041 -278 F HN -0.082 nan 8.300 nan 0.000 0.512 -277 T N -3.294 110.779 114.554 -0.802 0.000 2.904 -277 T HA -0.171 4.179 4.350 0.000 0.000 0.267 -277 T C 1.583 176.074 174.700 -0.349 0.000 1.059 -277 T CA 1.060 62.760 62.100 -0.666 0.000 1.137 -277 T CB -1.186 67.225 68.868 -0.761 0.000 0.879 -277 T HN 0.576 nan 8.240 nan 0.000 0.467 -276 W N 2.046 123.260 121.300 -0.143 0.000 2.388 -276 W HA 0.047 4.707 4.660 0.000 0.000 0.294 -276 W C 2.168 178.667 176.519 -0.033 0.000 1.212 -276 W CA 0.350 57.658 57.345 -0.063 0.000 1.271 -276 W CB -0.206 29.238 29.460 -0.028 0.000 1.126 -276 W HN 0.196 nan 8.180 nan 0.000 0.535 -275 D N 0.220 120.743 120.400 0.204 0.000 2.133 -275 D HA -0.199 4.441 4.640 0.000 0.000 0.195 -275 D C 2.192 178.554 176.300 0.103 0.000 0.997 -275 D CA 1.910 56.004 54.000 0.157 0.000 0.840 -275 D CB -0.857 40.038 40.800 0.157 0.000 0.947 -275 D HN 0.137 nan 8.370 nan 0.000 0.452 -274 A N 0.465 123.278 122.820 -0.010 0.000 2.067 -274 A HA -0.090 4.230 4.320 0.000 0.000 0.219 -274 A C 2.084 179.649 177.584 -0.032 0.000 1.158 -274 A CA 1.435 53.370 52.037 -0.170 0.000 0.661 -274 A CB -0.266 18.382 19.000 -0.588 0.000 0.801 -274 A HN 0.251 nan 8.150 nan 0.000 0.452 -273 V N -3.288 116.652 119.914 0.044 0.000 3.444 -273 V HA 0.359 4.479 4.120 0.000 0.000 0.308 -273 V C 0.530 176.749 176.094 0.210 0.000 1.371 -273 V CA -0.288 62.090 62.300 0.129 0.000 1.141 -273 V CB -0.849 31.030 31.823 0.094 0.000 1.037 -273 V HN 0.386 nan 8.190 nan 0.000 0.433 -272 R N 0.849 121.473 120.500 0.206 0.000 2.254 -272 R HA 0.474 4.814 4.340 0.000 0.000 0.318 -272 R C -1.611 174.850 176.300 0.269 0.000 1.031 -272 R CA -0.637 55.586 56.100 0.204 0.000 0.905 -272 R CB 0.967 31.359 30.300 0.154 0.000 1.050 -272 R HN 0.495 nan 8.270 nan 0.000 0.456 -271 Y N 4.658 125.021 120.300 0.106 0.000 2.331 -271 Y HA 0.192 4.742 4.550 0.000 0.000 0.326 -271 Y C -0.311 175.632 175.900 0.072 0.000 1.020 -271 Y CA -0.886 57.271 58.100 0.096 0.000 1.136 -271 Y CB 1.090 39.613 38.460 0.105 0.000 1.157 -271 Y HN 0.912 nan 8.280 nan 0.000 0.444 -270 N N 4.184 122.625 118.700 -0.432 0.000 2.747 -270 N HA -0.246 4.495 4.740 0.000 0.000 0.249 -270 N C 0.912 176.362 175.510 -0.099 0.000 1.107 -270 N CA 0.988 53.857 53.050 -0.302 0.000 0.707 -270 N CB -0.860 37.445 38.487 -0.303 0.000 1.054 -270 N HN 1.305 nan 8.380 nan 0.000 0.555 -269 G N -0.504 108.270 108.800 -0.043 0.000 2.245 -269 G HA2 -0.358 3.603 3.960 0.000 0.000 0.264 -269 G HA3 -0.358 3.603 3.960 0.000 0.000 0.264 -269 G C 0.070 174.976 174.900 0.010 0.000 0.985 -269 G CA 1.127 46.222 45.100 -0.008 0.000 0.625 -269 G HN 0.471 nan 8.290 nan 0.000 0.536 -268 K N 0.216 120.635 120.400 0.032 0.000 2.143 -268 K HA 0.628 4.948 4.320 0.000 0.000 0.272 -268 K C 0.393 177.042 176.600 0.083 0.000 1.001 -268 K CA -0.702 55.613 56.287 0.048 0.000 0.915 -268 K CB 1.324 33.863 32.500 0.066 0.000 1.047 -268 K HN 0.176 nan 8.250 nan 0.000 0.458 -267 L N 4.660 125.911 121.223 0.047 0.000 2.313 -267 L HA 0.207 4.547 4.340 0.000 0.000 0.282 -267 L C 0.750 177.672 176.870 0.087 0.000 1.092 -267 L CA -0.168 54.718 54.840 0.076 0.000 0.831 -267 L CB 0.254 42.314 42.059 0.002 0.000 1.159 -267 L HN 0.671 nan 8.230 nan 0.000 0.442 -266 I N 0.396 121.057 120.570 0.151 0.000 4.009 -266 I HA 0.686 4.856 4.170 0.000 0.000 0.331 -266 I C 0.348 176.589 176.117 0.207 0.000 1.462 -266 I CA -0.104 61.295 61.300 0.166 0.000 1.117 -266 I CB 0.492 38.619 38.000 0.211 0.000 1.091 -266 I HN 0.481 nan 8.210 nan 0.000 0.410 -265 A N -0.241 122.676 122.820 0.162 0.000 2.549 -265 A HA 0.668 4.988 4.320 0.000 0.000 0.291 -265 A C -2.036 175.572 177.584 0.041 0.000 1.034 -265 A CA -0.567 51.582 52.037 0.186 0.000 0.655 -265 A CB 0.365 19.604 19.000 0.398 0.000 1.299 -265 A HN 0.101 nan 8.150 nan 0.000 0.427 -264 Y N 0.821 121.181 120.300 0.101 0.000 2.326 -264 Y HA 0.479 5.029 4.550 0.000 0.000 0.337 -264 Y C -2.127 173.680 175.900 -0.156 0.000 1.023 -264 Y CA -1.922 56.185 58.100 0.011 0.000 1.143 -264 Y CB 1.104 39.599 38.460 0.058 0.000 1.183 -264 Y HN 0.384 nan 8.280 nan 0.000 0.485 -263 P HA 0.077 nan 4.420 nan 0.000 0.271 -263 P C 0.039 177.251 177.300 -0.147 0.000 1.216 -263 P CA 0.192 63.132 63.100 -0.267 0.000 0.771 -263 P CB 1.140 32.534 31.700 -0.511 0.000 0.864 -262 I N 0.896 121.429 120.570 -0.062 0.000 3.366 -262 I HA 0.382 4.552 4.170 0.000 0.000 0.267 -262 I C 0.891 177.020 176.117 0.020 0.000 1.149 -262 I CA 0.365 61.681 61.300 0.027 0.000 1.436 -262 I CB -0.806 37.285 38.000 0.153 0.000 1.379 -262 I HN 0.313 nan 8.210 nan 0.000 0.460 -261 A N 0.509 123.336 122.820 0.011 0.000 2.605 -261 A HA 0.626 4.946 4.320 0.000 0.000 0.294 -261 A C -1.319 176.290 177.584 0.041 0.000 1.062 -261 A CA -0.375 51.685 52.037 0.039 0.000 0.682 -261 A CB 1.346 20.391 19.000 0.075 0.000 1.278 -261 A HN -0.168 nan 8.150 nan 0.000 0.410 -260 V N 1.652 121.610 119.914 0.073 0.000 2.407 -260 V HA 0.425 4.546 4.120 0.000 0.000 0.278 -260 V C -0.148 176.025 176.094 0.131 0.000 1.037 -260 V CA -0.140 62.231 62.300 0.119 0.000 0.900 -260 V CB 1.118 33.051 31.823 0.184 0.000 0.983 -260 V HN 0.855 nan 8.190 nan 0.000 0.459 -259 E N 3.498 123.798 120.200 0.168 0.000 2.176 -259 E HA 0.772 5.122 4.350 0.000 0.000 0.267 -259 E C -0.521 176.220 176.600 0.235 0.000 0.893 -259 E CA -0.504 56.023 56.400 0.212 0.000 0.761 -259 E CB 2.186 32.081 29.700 0.325 0.000 1.133 -259 E HN 0.801 nan 8.360 nan 0.000 0.409 -258 A N 3.352 126.271 122.820 0.164 0.000 2.454 -258 A HA 0.590 4.911 4.320 0.000 0.000 0.302 -258 A C -0.835 176.789 177.584 0.068 0.000 1.079 -258 A CA -0.743 51.383 52.037 0.149 0.000 0.731 -258 A CB 0.893 19.964 19.000 0.119 0.000 1.299 -258 A HN 0.586 nan 8.150 nan 0.000 0.413 -257 L N 1.273 122.514 121.223 0.030 0.000 2.417 -257 L HA 0.501 4.841 4.340 0.000 0.000 0.268 -257 L C 0.443 177.314 176.870 0.002 0.000 1.158 -257 L CA 0.083 54.910 54.840 -0.022 0.000 0.819 -257 L CB 1.322 43.330 42.059 -0.085 0.000 1.112 -257 L HN 0.736 nan 8.230 nan 0.000 0.458 -256 S N 1.515 117.221 115.700 0.010 0.000 2.627 -256 S HA 0.498 4.968 4.470 0.000 0.000 0.283 -256 S C -1.047 173.549 174.600 -0.006 0.000 1.127 -256 S CA -0.671 57.545 58.200 0.026 0.000 0.863 -256 S CB 2.004 65.260 63.200 0.094 0.000 1.121 -256 S HN 0.369 nan 8.310 nan 0.000 0.479 -255 L N 2.324 123.530 121.223 -0.028 0.000 2.361 -255 L HA 0.501 4.841 4.340 0.000 0.000 0.278 -255 L C -1.247 175.645 176.870 0.037 0.000 1.113 -255 L CA 0.372 55.180 54.840 -0.054 0.000 0.849 -255 L CB -0.321 41.670 42.059 -0.113 0.000 1.155 -255 L HN 0.517 nan 8.230 nan 0.000 0.452 -254 I N 6.664 127.214 120.570 -0.032 0.000 2.354 -254 I HA 0.357 4.528 4.170 0.000 0.000 0.292 -254 I C -0.901 175.223 176.117 0.011 0.000 0.989 -254 I CA -0.651 60.622 61.300 -0.045 0.000 1.188 -254 I CB 1.047 38.880 38.000 -0.279 0.000 1.342 -254 I HN 0.602 nan 8.210 nan 0.000 0.457 -253 Y N 4.458 124.818 120.300 0.100 0.000 2.545 -253 Y HA 0.528 5.078 4.550 0.000 0.000 0.348 -253 Y C -0.806 175.337 175.900 0.405 0.000 1.002 -253 Y CA -1.540 56.713 58.100 0.254 0.000 1.039 -253 Y CB 0.940 39.455 38.460 0.092 0.000 1.271 -253 Y HN 0.435 nan 8.280 nan 0.000 0.467 -252 N N 2.873 121.787 118.700 0.356 0.000 2.406 -252 N HA 0.136 4.876 4.740 0.000 0.000 0.251 -252 N C 0.174 175.715 175.510 0.050 0.000 1.069 -252 N CA -0.026 53.065 53.050 0.068 0.000 0.947 -252 N CB 1.017 39.456 38.487 -0.080 0.000 1.111 -252 N HN 0.900 nan 8.380 nan 0.000 0.497 -251 K N 1.858 122.206 120.400 -0.086 0.000 2.209 -251 K HA -0.096 4.224 4.320 0.000 0.000 0.204 -251 K C 0.330 176.945 176.600 0.026 0.000 1.048 -251 K CA 1.028 57.308 56.287 -0.011 0.000 0.940 -251 K CB 0.382 32.820 32.500 -0.104 0.000 0.729 -251 K HN 0.495 nan 8.250 nan 0.000 0.451 -250 D N 0.654 121.049 120.400 -0.008 0.000 2.162 -250 D HA -0.061 4.579 4.640 0.000 0.000 0.203 -250 D C 1.840 178.145 176.300 0.007 0.000 0.967 -250 D CA 0.902 54.897 54.000 -0.008 0.000 0.840 -250 D CB 0.046 40.827 40.800 -0.031 0.000 0.972 -250 D HN 0.118 nan 8.370 nan 0.000 0.482 -249 L N -0.494 120.738 121.223 0.015 0.000 2.162 -249 L HA 0.107 4.447 4.340 0.000 0.000 0.205 -249 L C 0.798 177.701 176.870 0.056 0.000 1.086 -249 L CA 0.519 55.374 54.840 0.026 0.000 0.778 -249 L CB 0.242 42.312 42.059 0.018 0.000 0.928 -249 L HN -0.099 nan 8.230 nan 0.000 0.446 -248 L N 0.387 121.674 121.223 0.107 0.000 2.401 -248 L HA 0.245 4.586 4.340 0.000 0.000 0.263 -248 L C -1.831 175.143 176.870 0.174 0.000 1.004 -248 L CA -1.398 53.516 54.840 0.124 0.000 0.881 -248 L CB 2.043 44.194 42.059 0.155 0.000 1.219 -248 L HN -0.188 nan 8.230 nan 0.000 0.441 -247 P HA -0.039 nan 4.420 nan 0.000 0.219 -247 P C -0.159 177.188 177.300 0.079 0.000 1.150 -247 P CA 1.054 64.219 63.100 0.107 0.000 0.814 -247 P CB 0.282 32.009 31.700 0.046 0.000 0.787 -246 N N 0.137 118.834 118.700 -0.006 0.000 2.696 -246 N HA 0.215 4.955 4.740 0.000 0.000 0.246 -246 N C -2.606 172.792 175.510 -0.187 0.000 1.057 -246 N CA -1.463 51.530 53.050 -0.096 0.000 0.867 -246 N CB 0.810 39.257 38.487 -0.066 0.000 1.141 -246 N HN 0.124 nan 8.380 nan 0.000 0.517 -245 P HA 0.177 nan 4.420 nan 0.000 0.269 -245 P C -2.465 174.665 177.300 -0.284 0.000 1.209 -245 P CA -0.731 62.102 63.100 -0.446 0.000 0.776 -245 P CB -0.024 31.132 31.700 -0.905 0.000 0.876 -244 P HA 0.108 nan 4.420 nan 0.000 0.271 -244 P C 0.474 177.660 177.300 -0.191 0.000 1.218 -244 P CA -0.122 62.876 63.100 -0.171 0.000 0.780 -244 P CB 0.872 32.482 31.700 -0.150 0.000 0.901 -243 K N 0.134 120.449 120.400 -0.141 0.000 2.361 -243 K HA 0.070 4.391 4.320 0.000 0.000 0.196 -243 K C 1.050 177.581 176.600 -0.115 0.000 1.039 -243 K CA 0.854 57.065 56.287 -0.127 0.000 1.001 -243 K CB -0.155 32.291 32.500 -0.090 0.000 0.795 -243 K HN 0.697 nan 8.250 nan 0.000 0.495 -242 T N -4.304 110.187 114.554 -0.105 0.000 2.900 -242 T HA 0.279 4.629 4.350 0.000 0.000 0.295 -242 T C 0.439 175.109 174.700 -0.050 0.000 1.044 -242 T CA -0.868 61.204 62.100 -0.046 0.000 0.995 -242 T CB 0.917 69.786 68.868 0.003 0.000 1.072 -242 T HN 0.114 nan 8.240 nan 0.000 0.473 -241 W N 0.990 122.250 121.300 -0.066 0.000 2.374 -241 W HA 0.062 4.722 4.660 0.000 0.000 0.288 -241 W C 2.079 178.608 176.519 0.016 0.000 1.218 -241 W CA 0.962 58.249 57.345 -0.096 0.000 1.245 -241 W CB -0.135 29.108 29.460 -0.362 0.000 1.126 -241 W HN 0.828 nan 8.180 nan 0.000 0.545 -240 E N 0.109 120.435 120.200 0.211 0.000 2.204 -240 E HA -0.195 4.155 4.350 0.000 0.000 0.194 -240 E C 1.691 178.442 176.600 0.251 0.000 0.989 -240 E CA 1.530 58.109 56.400 0.298 0.000 0.824 -240 E CB -0.345 29.455 29.700 0.167 0.000 0.756 -240 E HN 0.464 nan 8.360 nan 0.000 0.477 -239 E N 0.068 120.350 120.200 0.137 0.000 2.481 -239 E HA -0.008 4.342 4.350 0.000 0.000 0.195 -239 E C 1.633 178.265 176.600 0.054 0.000 1.047 -239 E CA 0.181 56.623 56.400 0.070 0.000 0.867 -239 E CB -0.045 29.663 29.700 0.014 0.000 0.858 -239 E HN 0.268 nan 8.360 nan 0.000 0.513 -238 I N 1.763 122.400 120.570 0.111 0.000 2.202 -238 I HA -0.160 4.010 4.170 0.000 0.000 0.242 -238 I C -0.598 175.490 176.117 -0.048 0.000 1.091 -238 I CA 0.917 62.256 61.300 0.065 0.000 1.368 -238 I CB -0.939 37.152 38.000 0.152 0.000 1.058 -238 I HN 0.051 nan 8.210 nan 0.000 0.410 -237 P HA -0.250 nan 4.420 nan 0.000 0.215 -237 P C 1.514 178.608 177.300 -0.344 0.000 1.163 -237 P CA 2.187 65.002 63.100 -0.475 0.000 0.894 -237 P CB -0.081 31.492 31.700 -0.211 0.000 0.791 -236 A N -0.890 121.862 122.820 -0.112 0.000 1.908 -236 A HA -0.199 4.121 4.320 0.000 0.000 0.218 -236 A C 2.159 179.715 177.584 -0.047 0.000 1.181 -236 A CA 1.594 53.601 52.037 -0.049 0.000 0.627 -236 A CB -1.703 17.293 19.000 -0.006 0.000 0.818 -236 A HN 0.149 nan 8.150 nan 0.000 0.445 -235 L N 0.324 121.518 121.223 -0.049 0.000 2.083 -235 L HA -0.148 4.192 4.340 0.000 0.000 0.209 -235 L C 1.859 178.716 176.870 -0.022 0.000 1.083 -235 L CA 2.658 57.481 54.840 -0.028 0.000 0.752 -235 L CB -0.861 41.184 42.059 -0.024 0.000 0.899 -235 L HN 0.510 nan 8.230 nan 0.000 0.433 -234 D N -0.837 119.528 120.400 -0.059 0.000 2.144 -234 D HA -0.240 4.400 4.640 0.000 0.000 0.199 -234 D C 2.264 178.589 176.300 0.041 0.000 0.984 -234 D CA 1.235 55.231 54.000 -0.007 0.000 0.834 -234 D CB 0.004 40.787 40.800 -0.029 0.000 0.955 -234 D HN 0.300 nan 8.370 nan 0.000 0.465 -233 K N 0.139 120.552 120.400 0.022 0.000 2.097 -233 K HA -0.131 4.189 4.320 0.000 0.000 0.205 -233 K C 1.920 178.544 176.600 0.041 0.000 1.050 -233 K CA 1.114 57.440 56.287 0.065 0.000 0.938 -233 K CB 0.048 32.588 32.500 0.067 0.000 0.718 -233 K HN 0.201 nan 8.250 nan 0.000 0.442 -232 E N 0.385 120.598 120.200 0.022 0.000 2.110 -232 E HA -0.182 4.169 4.350 0.000 0.000 0.193 -232 E C 1.986 178.599 176.600 0.022 0.000 0.988 -232 E CA 1.069 57.480 56.400 0.018 0.000 0.804 -232 E CB 0.026 29.733 29.700 0.010 0.000 0.745 -232 E HN 0.291 nan 8.360 nan 0.000 0.458 -231 L N 0.603 121.843 121.223 0.027 0.000 2.209 -231 L HA -0.058 4.282 4.340 0.000 0.000 0.207 -231 L C 2.216 179.106 176.870 0.034 0.000 1.094 -231 L CA 0.501 55.359 54.840 0.030 0.000 0.790 -231 L CB -0.023 42.057 42.059 0.035 0.000 0.932 -231 L HN -0.070 nan 8.230 nan 0.000 0.447 -230 K N 0.411 120.838 120.400 0.045 0.000 2.209 -230 K HA -0.060 4.260 4.320 0.000 0.000 0.204 -230 K C 1.962 178.581 176.600 0.030 0.000 1.048 -230 K CA 1.254 57.567 56.287 0.044 0.000 0.940 -230 K CB -0.226 32.310 32.500 0.060 0.000 0.729 -230 K HN 0.260 nan 8.250 nan 0.000 0.451 -229 A N 1.184 124.020 122.820 0.028 0.000 2.167 -229 A HA -0.075 4.245 4.320 0.000 0.000 0.214 -229 A C 1.318 178.910 177.584 0.015 0.000 1.151 -229 A CA 0.918 52.967 52.037 0.020 0.000 0.735 -229 A CB -0.036 18.976 19.000 0.019 0.000 0.802 -229 A HN 0.208 nan 8.150 nan 0.000 0.467 -228 K N -1.067 119.342 120.400 0.015 0.000 2.514 -228 K HA 0.329 4.649 4.320 0.000 0.000 0.207 -228 K C 0.779 177.384 176.600 0.009 0.000 1.035 -228 K CA 0.284 56.577 56.287 0.010 0.000 1.113 -228 K CB 0.304 32.809 32.500 0.009 0.000 0.846 -228 K HN 0.449 nan 8.250 nan 0.000 0.491 -227 G N 2.044 110.851 108.800 0.012 0.000 2.179 -227 G HA2 -0.277 3.683 3.960 0.000 0.000 0.257 -227 G HA3 -0.277 3.683 3.960 0.000 0.000 0.257 -227 G C 0.019 174.925 174.900 0.011 0.000 1.010 -227 G CA 0.643 45.749 45.100 0.010 0.000 0.736 -227 G HN 0.154 nan 8.290 nan 0.000 0.513 -226 K N -0.556 119.855 120.400 0.017 0.000 2.307 -226 K HA 0.858 5.178 4.320 0.000 0.000 0.239 -226 K C 0.243 176.865 176.600 0.037 0.000 1.083 -226 K CA -0.007 56.292 56.287 0.021 0.000 0.913 -226 K CB 1.532 34.041 32.500 0.016 0.000 1.322 -226 K HN 0.667 nan 8.250 nan 0.000 0.514 -225 S N -1.668 114.061 115.700 0.048 0.000 2.588 -225 S HA 0.588 5.058 4.470 0.000 0.000 0.275 -225 S C 0.388 175.037 174.600 0.082 0.000 1.130 -225 S CA -0.093 58.148 58.200 0.069 0.000 0.855 -225 S CB 1.704 64.947 63.200 0.073 0.000 1.116 -225 S HN 0.536 nan 8.310 nan 0.000 0.472 -224 A N 1.105 123.978 122.820 0.089 0.000 1.872 -224 A HA 0.467 4.787 4.320 0.000 0.000 0.214 -224 A C 0.578 178.233 177.584 0.118 0.000 1.187 -224 A CA 1.199 53.287 52.037 0.085 0.000 0.614 -224 A CB -0.609 18.425 19.000 0.057 0.000 0.826 -224 A HN 1.315 nan 8.150 nan 0.000 0.442 -223 L N -1.349 119.961 121.223 0.146 0.000 2.526 -223 L HA 0.686 5.026 4.340 0.000 0.000 0.263 -223 L C -1.378 175.620 176.870 0.214 0.000 0.943 -223 L CA -0.124 54.831 54.840 0.192 0.000 0.859 -223 L CB 1.740 43.923 42.059 0.208 0.000 1.313 -223 L HN 0.314 nan 8.230 nan 0.000 0.406 -222 M N 6.034 125.769 119.600 0.225 0.000 2.326 -222 M HA 0.662 5.142 4.480 0.000 0.000 0.292 -222 M C -1.473 174.957 176.300 0.217 0.000 1.081 -222 M CA -0.421 54.966 55.300 0.145 0.000 0.919 -222 M CB 2.049 34.694 32.600 0.075 0.000 1.634 -222 M HN 0.577 nan 8.290 nan 0.000 0.451 -221 F N -0.038 119.906 119.950 -0.010 0.000 2.711 -221 F HA 0.590 5.117 4.527 0.000 0.000 0.313 -221 F C -0.697 175.014 175.800 -0.150 0.000 1.141 -221 F CA -1.377 56.566 58.000 -0.094 0.000 0.941 -221 F CB 0.805 39.812 39.000 0.012 0.000 1.349 -221 F HN 0.449 nan 8.300 nan 0.000 0.464 -220 N N 1.705 120.232 118.700 -0.288 0.000 2.429 -220 N HA 0.098 4.838 4.740 0.000 0.000 0.271 -220 N C 0.187 175.583 175.510 -0.190 0.000 1.272 -220 N CA 0.186 53.018 53.050 -0.363 0.000 0.921 -220 N CB 0.364 38.449 38.487 -0.670 0.000 1.128 -220 N HN 0.806 nan 8.380 nan 0.000 0.481 -219 L N 2.184 123.281 121.223 -0.210 0.000 2.592 -219 L HA 0.084 4.424 4.340 0.000 0.000 0.227 -219 L C 1.265 178.140 176.870 0.009 0.000 1.127 -219 L CA 0.203 54.966 54.840 -0.128 0.000 0.884 -219 L CB 0.066 41.998 42.059 -0.212 0.000 1.065 -219 L HN 0.476 nan 8.230 nan 0.000 0.457 -218 Q N -0.396 119.424 119.800 0.032 0.000 2.384 -218 Q HA 0.170 4.510 4.340 0.000 0.000 0.207 -218 Q C 0.066 176.138 176.000 0.121 0.000 0.904 -218 Q CA 0.496 56.332 55.803 0.055 0.000 0.933 -218 Q CB 0.794 29.552 28.738 0.033 0.000 1.077 -218 Q HN 0.267 nan 8.270 nan 0.000 0.522 -217 E N 1.390 121.733 120.200 0.238 0.000 2.185 -217 E HA 0.192 4.542 4.350 0.000 0.000 0.261 -217 E C -1.862 174.981 176.600 0.404 0.000 0.879 -217 E CA -2.033 54.551 56.400 0.308 0.000 0.756 -217 E CB 2.076 32.033 29.700 0.428 0.000 1.152 -217 E HN -0.131 nan 8.360 nan 0.000 0.416 -216 P HA -0.211 nan 4.420 nan 0.000 0.218 -216 P C 1.357 178.952 177.300 0.492 0.000 1.146 -216 P CA 0.971 64.298 63.100 0.379 0.000 0.813 -216 P CB 0.147 32.080 31.700 0.389 0.000 0.778 -215 Y N 0.318 120.676 120.300 0.096 0.000 2.228 -215 Y HA -0.224 4.326 4.550 0.000 0.000 0.285 -215 Y C 1.944 177.894 175.900 0.083 0.000 1.178 -215 Y CA 1.665 59.752 58.100 -0.021 0.000 1.202 -215 Y CB -1.044 37.175 38.460 -0.401 0.000 0.974 -215 Y HN -0.183 nan 8.280 nan 0.000 0.527 -214 F N -1.330 118.836 119.950 0.360 0.000 2.512 -214 F HA -0.026 4.501 4.527 0.000 0.000 0.296 -214 F C 2.437 178.419 175.800 0.304 0.000 1.110 -214 F CA 1.267 59.458 58.000 0.319 0.000 1.446 -214 F CB -0.469 38.855 39.000 0.540 0.000 1.092 -214 F HN 0.091 nan 8.300 nan 0.000 0.554 -213 T N -3.784 111.084 114.554 0.524 0.000 3.022 -213 T HA -0.112 4.238 4.350 0.000 0.000 0.250 -213 T C 1.822 176.653 174.700 0.218 0.000 1.060 -213 T CA -0.215 62.109 62.100 0.373 0.000 1.013 -213 T CB -0.664 68.420 68.868 0.359 0.000 0.982 -213 T HN 0.491 nan 8.240 nan 0.000 0.508 -212 W N 3.031 124.413 121.300 0.138 0.000 2.318 -212 W HA -0.099 4.561 4.660 0.000 0.000 0.313 -212 W C -1.677 174.829 176.519 -0.023 0.000 1.221 -212 W CA 1.512 58.916 57.345 0.099 0.000 1.266 -212 W CB -1.193 28.422 29.460 0.257 0.000 1.150 -212 W HN 0.283 nan 8.180 nan 0.000 0.496 -211 P HA -0.236 nan 4.420 nan 0.000 0.217 -211 P C 1.739 178.887 177.300 -0.254 0.000 1.151 -211 P CA 1.876 64.891 63.100 -0.141 0.000 0.849 -211 P CB -0.523 31.176 31.700 -0.002 0.000 0.787 -210 L N -1.442 119.597 121.223 -0.306 0.000 2.209 -210 L HA 0.062 4.402 4.340 0.000 0.000 0.207 -210 L C 2.099 178.629 176.870 -0.566 0.000 1.094 -210 L CA 1.422 55.926 54.840 -0.560 0.000 0.790 -210 L CB -1.062 40.425 42.059 -0.954 0.000 0.932 -210 L HN -0.159 nan 8.230 nan 0.000 0.447 -209 I N 0.012 120.277 120.570 -0.508 0.000 2.493 -209 I HA -0.196 3.974 4.170 0.000 0.000 0.254 -209 I C 2.402 178.131 176.117 -0.647 0.000 1.160 -209 I CA 1.054 62.047 61.300 -0.513 0.000 1.445 -209 I CB -0.449 37.295 38.000 -0.427 0.000 1.086 -209 I HN 0.379 nan 8.210 nan 0.000 0.433 -208 A N 0.430 122.730 122.820 -0.867 0.000 2.030 -208 A HA 0.141 4.461 4.320 0.000 0.000 0.215 -208 A C 2.538 179.922 177.584 -0.333 0.000 1.164 -208 A CA 0.974 52.566 52.037 -0.742 0.000 0.697 -208 A CB -0.475 17.955 19.000 -0.950 0.000 0.827 -208 A HN 0.347 nan 8.150 nan 0.000 0.457 -207 A N 0.326 122.993 122.820 -0.254 0.000 1.915 -207 A HA -0.288 4.032 4.320 0.000 0.000 0.220 -207 A C 1.752 179.325 177.584 -0.019 0.000 1.198 -207 A CA 2.382 54.372 52.037 -0.078 0.000 0.647 -207 A CB -0.552 18.459 19.000 0.018 0.000 0.825 -207 A HN 0.453 nan 8.150 nan 0.000 0.456 -206 D N -3.175 117.237 120.400 0.021 0.000 2.363 -206 D HA 0.351 4.991 4.640 0.000 0.000 0.214 -206 D C 0.879 177.174 176.300 -0.009 0.000 1.093 -206 D CA 1.080 55.087 54.000 0.012 0.000 0.837 -206 D CB 0.205 41.039 40.800 0.057 0.000 0.948 -206 D HN 0.525 nan 8.370 nan 0.000 0.507 -205 G N -1.160 107.624 108.800 -0.026 0.000 2.559 -205 G HA2 -0.026 3.934 3.960 0.000 0.000 0.202 -205 G HA3 -0.026 3.934 3.960 0.000 0.000 0.202 -205 G C 0.682 175.618 174.900 0.060 0.000 0.992 -205 G CA -0.231 44.886 45.100 0.028 0.000 0.764 -205 G HN 0.464 nan 8.290 nan 0.000 0.525 -204 G N 0.441 109.187 108.800 -0.091 0.000 2.442 -204 G HA2 0.645 4.605 3.960 0.000 0.000 0.249 -204 G HA3 0.645 4.605 3.960 0.000 0.000 0.249 -204 G C -0.277 174.591 174.900 -0.052 0.000 1.263 -204 G CA 0.443 45.441 45.100 -0.171 0.000 0.846 -204 G HN 1.347 nan 8.290 nan 0.000 0.555 -203 Y N -1.176 119.158 120.300 0.057 0.000 2.625 -203 Y HA 0.743 5.294 4.550 0.000 0.000 0.338 -203 Y C 0.647 176.712 175.900 0.274 0.000 1.123 -203 Y CA -0.845 57.382 58.100 0.212 0.000 1.046 -203 Y CB 0.847 39.377 38.460 0.116 0.000 1.299 -203 Y HN 0.664 nan 8.280 nan 0.000 0.464 -202 A N 1.433 124.415 122.820 0.269 0.000 1.909 -202 A HA 0.335 4.655 4.320 0.000 0.000 0.215 -202 A C -0.424 176.853 177.584 -0.512 0.000 1.392 -202 A CA 0.878 52.585 52.037 -0.550 0.000 0.599 -202 A CB -0.551 17.856 19.000 -0.989 0.000 1.029 -202 A HN 0.573 nan 8.150 nan 0.000 0.480 -201 F N -0.540 119.499 119.950 0.149 0.000 2.482 -201 F HA 0.498 5.025 4.527 0.000 0.000 0.331 -201 F C 0.125 176.206 175.800 0.468 0.000 1.115 -201 F CA -0.835 57.339 58.000 0.290 0.000 0.955 -201 F CB 1.682 40.763 39.000 0.134 0.000 1.136 -201 F HN 0.146 nan 8.300 nan 0.000 0.452 -200 K N 2.732 123.457 120.400 0.542 0.000 2.416 -200 K HA 0.082 4.402 4.320 0.000 0.000 0.283 -200 K C -1.367 175.369 176.600 0.226 0.000 1.037 -200 K CA -0.018 56.389 56.287 0.200 0.000 0.995 -200 K CB 0.248 32.790 32.500 0.070 0.000 0.938 -200 K HN 0.638 nan 8.250 nan 0.000 0.475 -199 Y N 4.569 124.866 120.300 -0.005 0.000 2.320 -199 Y HA 0.246 4.796 4.550 0.000 0.000 0.334 -199 Y C -0.895 174.917 175.900 -0.146 0.000 1.055 -199 Y CA -0.056 57.931 58.100 -0.188 0.000 1.143 -199 Y CB 0.790 39.058 38.460 -0.320 0.000 1.193 -199 Y HN 0.747 nan 8.280 nan 0.000 0.477 -198 E N 3.470 123.230 120.200 -0.734 0.000 2.401 -198 E HA 0.205 4.556 4.350 0.000 0.000 0.283 -198 E C -1.188 175.091 176.600 -0.535 0.000 1.053 -198 E CA -1.166 54.928 56.400 -0.510 0.000 0.842 -198 E CB 0.708 30.277 29.700 -0.218 0.000 1.222 -198 E HN 0.580 nan 8.360 nan 0.000 0.429 -197 N N 0.609 119.089 118.700 -0.366 0.000 2.725 -197 N HA -0.209 4.531 4.740 0.000 0.000 0.251 -197 N C 0.804 176.122 175.510 -0.321 0.000 1.031 -197 N CA 1.775 54.671 53.050 -0.257 0.000 0.720 -197 N CB -1.619 36.765 38.487 -0.171 0.000 0.930 -197 N HN 1.261 nan 8.380 nan 0.000 0.543 -196 G N -1.628 106.891 108.800 -0.468 0.000 2.166 -196 G HA2 -0.376 3.584 3.960 0.000 0.000 0.260 -196 G HA3 -0.376 3.584 3.960 0.000 0.000 0.260 -196 G C 0.003 174.700 174.900 -0.338 0.000 0.986 -196 G CA 1.176 46.108 45.100 -0.279 0.000 0.683 -196 G HN 0.635 nan 8.290 nan 0.000 0.527 -195 K N -1.224 118.766 120.400 -0.684 0.000 2.469 -195 K HA 0.546 4.866 4.320 0.000 0.000 0.254 -195 K C -1.018 175.339 176.600 -0.405 0.000 0.939 -195 K CA -0.962 55.122 56.287 -0.338 0.000 0.812 -195 K CB 1.518 33.916 32.500 -0.171 0.000 1.301 -195 K HN 0.067 nan 8.250 nan 0.000 0.433 -194 Y N 1.003 121.331 120.300 0.047 0.000 2.336 -194 Y HA 0.073 4.623 4.550 0.000 0.000 0.335 -194 Y C 0.256 176.181 175.900 0.042 0.000 1.046 -194 Y CA -0.303 57.864 58.100 0.111 0.000 1.198 -194 Y CB 0.732 39.263 38.460 0.118 0.000 1.182 -194 Y HN 0.460 nan 8.280 nan 0.000 0.502 -193 D N 4.514 125.051 120.400 0.227 0.000 2.393 -193 D HA 0.075 4.715 4.640 0.000 0.000 0.232 -193 D C 0.947 177.406 176.300 0.266 0.000 1.192 -193 D CA -0.192 53.913 54.000 0.175 0.000 0.882 -193 D CB 0.369 41.250 40.800 0.136 0.000 1.038 -193 D HN 0.612 nan 8.370 nan 0.000 0.499 -192 I N 0.519 121.187 120.570 0.163 0.000 3.176 -192 I HA -0.038 4.132 4.170 0.000 0.000 0.275 -192 I C 1.114 177.389 176.117 0.264 0.000 1.298 -192 I CA 0.535 61.941 61.300 0.175 0.000 1.445 -192 I CB -0.036 37.946 38.000 -0.031 0.000 1.075 -192 I HN 0.070 nan 8.210 nan 0.000 0.482 -191 K N 0.485 121.007 120.400 0.204 0.000 2.374 -191 K HA 0.111 4.431 4.320 0.000 0.000 0.196 -191 K C -0.042 176.668 176.600 0.183 0.000 1.023 -191 K CA 0.082 56.470 56.287 0.168 0.000 1.103 -191 K CB 0.221 32.788 32.500 0.113 0.000 0.848 -191 K HN 0.196 nan 8.250 nan 0.000 0.528 -190 D N 1.539 122.087 120.400 0.248 0.000 2.438 -190 D HA 0.134 4.774 4.640 0.000 0.000 0.257 -190 D C -1.287 175.199 176.300 0.309 0.000 1.148 -190 D CA -0.381 53.774 54.000 0.259 0.000 0.902 -190 D CB 0.918 41.871 40.800 0.255 0.000 1.062 -190 D HN -0.266 nan 8.370 nan 0.000 0.518 -189 V N 2.085 122.074 119.914 0.124 0.000 2.435 -189 V HA 0.656 4.776 4.120 0.000 0.000 0.290 -189 V C 1.231 177.121 176.094 -0.340 0.000 1.030 -189 V CA -0.751 61.484 62.300 -0.109 0.000 0.881 -189 V CB 1.932 33.686 31.823 -0.114 0.000 0.983 -189 V HN 0.584 nan 8.190 nan 0.000 0.445 -188 G N 2.489 110.782 108.800 -0.845 0.000 4.291 -188 G HA2 0.307 4.267 3.960 0.000 0.000 0.304 -188 G HA3 0.307 4.267 3.960 0.000 0.000 0.304 -188 G C 0.383 174.961 174.900 -0.536 0.000 1.264 -188 G CA 0.039 44.352 45.100 -1.312 0.000 1.039 -188 G HN 0.536 nan 8.290 nan 0.000 0.578 -187 V N -0.523 119.254 119.914 -0.227 0.000 3.590 -187 V HA 0.128 4.248 4.120 0.000 0.000 0.265 -187 V C 1.156 177.228 176.094 -0.037 0.000 1.239 -187 V CA 1.181 63.468 62.300 -0.020 0.000 1.117 -187 V CB 0.849 32.716 31.823 0.074 0.000 0.818 -187 V HN 0.396 nan 8.190 nan 0.000 0.451 -186 D N -0.306 120.050 120.400 -0.073 0.000 2.563 -186 D HA 0.111 4.751 4.640 0.000 0.000 0.237 -186 D C 0.470 176.746 176.300 -0.040 0.000 1.282 -186 D CA -0.164 53.812 54.000 -0.039 0.000 0.816 -186 D CB 0.092 40.879 40.800 -0.021 0.000 1.066 -186 D HN 0.584 nan 8.370 nan 0.000 0.501 -185 N N -0.270 118.392 118.700 -0.063 0.000 2.379 -185 N HA 0.265 5.005 4.740 0.000 0.000 0.260 -185 N C 1.405 176.907 175.510 -0.013 0.000 1.254 -185 N CA 0.148 53.181 53.050 -0.029 0.000 0.958 -185 N CB 0.333 38.809 38.487 -0.019 0.000 1.208 -185 N HN -0.129 nan 8.380 nan 0.000 0.532 -184 A N -0.061 122.763 122.820 0.005 0.000 1.892 -184 A HA -0.087 4.233 4.320 0.000 0.000 0.218 -184 A C 2.066 179.657 177.584 0.012 0.000 1.188 -184 A CA 2.319 54.362 52.037 0.010 0.000 0.631 -184 A CB -1.815 17.192 19.000 0.012 0.000 0.822 -184 A HN 0.830 nan 8.150 nan 0.000 0.447 -183 G N -0.694 108.110 108.800 0.008 0.000 2.459 -183 G HA2 -0.035 3.925 3.960 0.000 0.000 0.217 -183 G HA3 -0.035 3.925 3.960 0.000 0.000 0.217 -183 G C 1.816 176.706 174.900 -0.017 0.000 1.183 -183 G CA 1.771 46.876 45.100 0.008 0.000 0.776 -183 G HN 0.903 nan 8.290 nan 0.000 0.552 -182 A N 0.813 123.594 122.820 -0.065 0.000 1.883 -182 A HA -0.091 4.229 4.320 0.000 0.000 0.217 -182 A C 2.312 179.862 177.584 -0.058 0.000 1.186 -182 A CA 2.181 54.156 52.037 -0.104 0.000 0.624 -182 A CB -0.458 18.485 19.000 -0.096 0.000 0.822 -182 A HN 0.396 nan 8.150 nan 0.000 0.444 -181 K N -0.523 119.864 120.400 -0.021 0.000 2.063 -181 K HA -0.109 4.211 4.320 0.000 0.000 0.208 -181 K C 2.333 178.950 176.600 0.029 0.000 1.048 -181 K CA 1.188 57.475 56.287 0.001 0.000 0.928 -181 K CB -0.343 32.163 32.500 0.010 0.000 0.713 -181 K HN 0.472 nan 8.250 nan 0.000 0.442 -180 A N 1.108 123.972 122.820 0.073 0.000 1.877 -180 A HA -0.092 4.228 4.320 0.000 0.000 0.216 -180 A C 2.425 180.112 177.584 0.172 0.000 1.186 -180 A CA 1.942 54.092 52.037 0.189 0.000 0.620 -180 A CB -1.218 17.930 19.000 0.247 0.000 0.822 -180 A HN 0.433 nan 8.150 nan 0.000 0.443 -179 G N -0.327 108.465 108.800 -0.014 0.000 2.421 -179 G HA2 -0.159 3.801 3.960 0.000 0.000 0.216 -179 G HA3 -0.159 3.801 3.960 0.000 0.000 0.216 -179 G C 1.485 176.188 174.900 -0.328 0.000 1.171 -179 G CA 1.269 46.095 45.100 -0.457 0.000 0.775 -179 G HN 0.453 nan 8.290 nan 0.000 0.543 -178 L N 0.815 121.945 121.223 -0.155 0.000 2.109 -178 L HA 0.079 4.419 4.340 0.000 0.000 0.207 -178 L C 2.920 179.760 176.870 -0.049 0.000 1.086 -178 L CA 2.204 56.988 54.840 -0.093 0.000 0.760 -178 L CB -0.880 41.150 42.059 -0.048 0.000 0.910 -178 L HN 0.172 nan 8.230 nan 0.000 0.437 -177 T N -0.673 113.876 114.554 -0.008 0.000 2.720 -177 T HA -0.242 4.108 4.350 0.000 0.000 0.268 -177 T C 1.656 176.377 174.700 0.035 0.000 1.037 -177 T CA 1.949 64.064 62.100 0.025 0.000 1.144 -177 T CB -0.533 68.373 68.868 0.064 0.000 0.864 -177 T HN 0.370 nan 8.240 nan 0.000 0.444 -176 F N 1.225 121.112 119.950 -0.105 0.000 2.126 -176 F HA -0.061 4.466 4.527 0.000 0.000 0.299 -176 F C 2.035 177.766 175.800 -0.116 0.000 1.096 -176 F CA 0.954 58.889 58.000 -0.108 0.000 1.255 -176 F CB -0.384 38.451 39.000 -0.275 0.000 0.997 -176 F HN 0.048 nan 8.300 nan 0.000 0.479 -175 L N -0.447 120.764 121.223 -0.020 0.000 2.017 -175 L HA -0.183 4.157 4.340 0.000 0.000 0.208 -175 L C 2.211 179.046 176.870 -0.060 0.000 1.073 -175 L CA 1.490 56.309 54.840 -0.034 0.000 0.745 -175 L CB -0.648 41.387 42.059 -0.040 0.000 0.894 -175 L HN 0.020 nan 8.230 nan 0.000 0.432 -174 V N -0.107 119.772 119.914 -0.059 0.000 2.407 -174 V HA -0.290 3.830 4.120 0.000 0.000 0.248 -174 V C 2.175 178.221 176.094 -0.081 0.000 1.055 -174 V CA 1.964 64.229 62.300 -0.057 0.000 1.049 -174 V CB -0.770 31.029 31.823 -0.041 0.000 0.662 -174 V HN 0.504 nan 8.190 nan 0.000 0.455 -173 D N -0.025 120.304 120.400 -0.118 0.000 2.144 -173 D HA -0.114 4.526 4.640 0.000 0.000 0.199 -173 D C 2.156 178.365 176.300 -0.152 0.000 0.984 -173 D CA 1.073 54.987 54.000 -0.143 0.000 0.834 -173 D CB -0.179 40.517 40.800 -0.173 0.000 0.955 -173 D HN 0.342 nan 8.370 nan 0.000 0.465 -172 L N 0.400 121.509 121.223 -0.189 0.000 2.079 -172 L HA -0.165 4.175 4.340 0.000 0.000 0.210 -172 L C 2.468 179.322 176.870 -0.026 0.000 1.081 -172 L CA 0.788 55.599 54.840 -0.047 0.000 0.752 -172 L CB -0.261 41.807 42.059 0.014 0.000 0.896 -172 L HN 0.040 nan 8.230 nan 0.000 0.433 -171 I N -0.554 119.984 120.570 -0.054 0.000 2.233 -171 I HA -0.263 3.907 4.170 0.000 0.000 0.243 -171 I C 2.516 178.581 176.117 -0.088 0.000 1.093 -171 I CA 1.213 62.476 61.300 -0.061 0.000 1.380 -171 I CB -0.283 37.684 38.000 -0.056 0.000 1.067 -171 I HN 0.146 nan 8.210 nan 0.000 0.413 -170 K N 0.913 121.261 120.400 -0.086 0.000 2.103 -170 K HA -0.184 4.136 4.320 0.000 0.000 0.207 -170 K C 1.346 177.872 176.600 -0.123 0.000 1.048 -170 K CA 1.793 58.028 56.287 -0.087 0.000 0.930 -170 K CB -0.369 32.089 32.500 -0.070 0.000 0.716 -170 K HN 0.425 nan 8.250 nan 0.000 0.444 -169 N N 0.555 119.154 118.700 -0.168 0.000 2.383 -169 N HA 0.010 4.750 4.740 0.000 0.000 0.192 -169 N C -0.746 174.453 175.510 -0.518 0.000 1.141 -169 N CA 0.019 52.891 53.050 -0.296 0.000 0.851 -169 N CB 0.316 38.655 38.487 -0.248 0.000 0.976 -169 N HN 0.042 nan 8.380 nan 0.000 0.465 -168 K N -0.097 120.113 120.400 -0.317 0.000 3.129 -168 K HA -0.209 4.111 4.320 0.000 0.000 0.273 -168 K C -0.558 175.892 176.600 -0.250 0.000 1.123 -168 K CA 0.489 56.632 56.287 -0.239 0.000 0.800 -168 K CB -1.845 30.545 32.500 -0.182 0.000 1.238 -168 K HN 0.559 nan 8.250 nan 0.000 0.492 -167 H N -0.980 118.085 119.070 -0.009 0.000 2.563 -167 H HA 0.281 4.837 4.556 0.000 0.000 0.264 -167 H C 1.055 176.398 175.328 0.026 0.000 0.957 -167 H CA 0.532 56.590 56.048 0.016 0.000 1.173 -167 H CB 0.370 30.148 29.762 0.026 0.000 1.420 -167 H HN 0.257 nan 8.280 nan 0.000 0.551 -166 M N -0.108 119.540 119.600 0.079 0.000 2.664 -166 M HA 0.252 4.732 4.480 0.000 0.000 0.279 -166 M C -0.763 175.521 176.300 -0.026 0.000 1.275 -166 M CA -0.740 54.577 55.300 0.027 0.000 0.829 -166 M CB 3.021 35.633 32.600 0.020 0.000 1.727 -166 M HN -0.144 nan 8.290 nan 0.000 0.459 -165 N N 0.188 118.859 118.700 -0.049 0.000 2.354 -165 N HA 0.484 5.224 4.740 0.000 0.000 0.287 -165 N C 0.074 175.538 175.510 -0.076 0.000 1.016 -165 N CA 0.079 53.096 53.050 -0.055 0.000 0.871 -165 N CB 2.180 40.641 38.487 -0.044 0.000 1.299 -165 N HN 0.823 nan 8.380 nan 0.000 0.482 -164 A N 3.075 125.855 122.820 -0.066 0.000 1.986 -164 A HA -0.173 4.147 4.320 0.000 0.000 0.220 -164 A C 1.293 178.836 177.584 -0.068 0.000 1.171 -164 A CA 1.539 53.535 52.037 -0.068 0.000 0.640 -164 A CB -0.160 18.807 19.000 -0.054 0.000 0.811 -164 A HN 0.713 nan 8.150 nan 0.000 0.451 -163 D N -0.133 120.232 120.400 -0.057 0.000 2.264 -163 D HA -0.016 4.624 4.640 0.000 0.000 0.208 -163 D C 0.443 176.709 176.300 -0.056 0.000 0.966 -163 D CA 0.848 54.820 54.000 -0.048 0.000 0.864 -163 D CB -0.606 40.173 40.800 -0.036 0.000 0.933 -163 D HN 0.314 nan 8.370 nan 0.000 0.499 -162 T N 2.298 116.803 114.554 -0.081 0.000 2.871 -162 T HA 0.153 4.503 4.350 0.000 0.000 0.296 -162 T C 0.217 174.855 174.700 -0.103 0.000 0.998 -162 T CA -0.043 61.999 62.100 -0.097 0.000 1.162 -162 T CB 0.601 69.386 68.868 -0.139 0.000 0.947 -162 T HN 0.214 nan 8.240 nan 0.000 0.536 -161 D N 1.341 121.701 120.400 -0.067 0.000 2.689 -161 D HA 0.171 4.811 4.640 0.000 0.000 0.255 -161 D C 0.971 177.252 176.300 -0.032 0.000 1.113 -161 D CA -1.010 52.968 54.000 -0.036 0.000 1.115 -161 D CB 0.073 40.883 40.800 0.016 0.000 1.334 -161 D HN 0.321 nan 8.370 nan 0.000 0.621 -160 Y N 0.430 120.675 120.300 -0.091 0.000 2.128 -160 Y HA -0.210 4.340 4.550 0.000 0.000 0.284 -160 Y C 2.368 178.259 175.900 -0.015 0.000 1.154 -160 Y CA 2.774 60.828 58.100 -0.077 0.000 1.149 -160 Y CB -0.144 38.301 38.460 -0.024 0.000 0.976 -160 Y HN 0.358 nan 8.280 nan 0.000 0.505 -159 S N 0.027 115.821 115.700 0.156 0.000 2.387 -159 S HA -0.144 4.326 4.470 0.000 0.000 0.226 -159 S C 2.010 176.620 174.600 0.015 0.000 1.026 -159 S CA 1.445 59.707 58.200 0.104 0.000 0.972 -159 S CB -0.501 62.765 63.200 0.111 0.000 0.814 -159 S HN 0.446 nan 8.310 nan 0.000 0.477 -158 I N 2.187 122.756 120.570 -0.000 0.000 2.142 -158 I HA -0.208 3.962 4.170 0.000 0.000 0.240 -158 I C 2.862 178.962 176.117 -0.027 0.000 1.078 -158 I CA 1.204 62.497 61.300 -0.011 0.000 1.343 -158 I CB -0.569 37.421 38.000 -0.017 0.000 1.046 -158 I HN 0.299 nan 8.210 nan 0.000 0.405 -157 A N 0.174 122.950 122.820 -0.073 0.000 1.883 -157 A HA -0.291 4.029 4.320 0.000 0.000 0.217 -157 A C 2.323 179.877 177.584 -0.051 0.000 1.186 -157 A CA 2.121 54.115 52.037 -0.072 0.000 0.624 -157 A CB -0.729 18.187 19.000 -0.140 0.000 0.822 -157 A HN 0.520 nan 8.150 nan 0.000 0.444 -156 E N -0.253 119.862 120.200 -0.142 0.000 2.051 -156 E HA -0.115 4.235 4.350 0.000 0.000 0.192 -156 E C 2.127 178.747 176.600 0.032 0.000 0.991 -156 E CA 1.049 57.397 56.400 -0.087 0.000 0.799 -156 E CB -0.260 29.346 29.700 -0.157 0.000 0.748 -156 E HN 0.526 nan 8.360 nan 0.000 0.449 -155 A N 1.041 123.874 122.820 0.021 0.000 1.930 -155 A HA -0.044 4.276 4.320 0.000 0.000 0.217 -155 A C 2.341 179.944 177.584 0.032 0.000 1.175 -155 A CA 1.650 53.706 52.037 0.031 0.000 0.627 -155 A CB -0.615 18.400 19.000 0.026 0.000 0.815 -155 A HN 0.413 nan 8.150 nan 0.000 0.443 -154 A N -1.315 121.530 122.820 0.042 0.000 1.898 -154 A HA 0.018 4.338 4.320 0.000 0.000 0.216 -154 A C 2.059 179.679 177.584 0.060 0.000 1.181 -154 A CA 1.432 53.495 52.037 0.043 0.000 0.620 -154 A CB -0.675 18.354 19.000 0.049 0.000 0.819 -154 A HN 0.610 nan 8.150 nan 0.000 0.442 -153 F N 1.208 121.142 119.950 -0.027 0.000 2.146 -153 F HA -0.150 4.378 4.527 0.000 0.000 0.298 -153 F C 1.916 177.698 175.800 -0.031 0.000 1.096 -153 F CA 2.045 60.030 58.000 -0.025 0.000 1.275 -153 F CB -0.288 38.691 39.000 -0.035 0.000 1.008 -153 F HN 0.292 nan 8.300 nan 0.000 0.480 -152 N N -0.363 118.363 118.700 0.044 0.000 2.512 -152 N HA -0.098 4.642 4.740 0.000 0.000 0.183 -152 N C 1.119 176.572 175.510 -0.094 0.000 1.073 -152 N CA 0.295 53.324 53.050 -0.035 0.000 0.911 -152 N CB -0.037 38.477 38.487 0.045 0.000 0.964 -152 N HN 0.271 nan 8.380 nan 0.000 0.447 -151 K N 0.136 120.482 120.400 -0.089 0.000 2.387 -151 K HA 0.095 4.415 4.320 0.000 0.000 0.198 -151 K C 0.579 177.111 176.600 -0.114 0.000 1.022 -151 K CA -0.076 56.165 56.287 -0.077 0.000 1.128 -151 K CB 0.621 33.098 32.500 -0.037 0.000 0.853 -151 K HN 0.153 nan 8.250 nan 0.000 0.523 -150 G N 1.905 110.581 108.800 -0.206 0.000 2.198 -150 G HA2 -0.291 3.669 3.960 0.000 0.000 0.260 -150 G HA3 -0.291 3.669 3.960 0.000 0.000 0.260 -150 G C 0.332 175.155 174.900 -0.130 0.000 1.025 -150 G CA 0.667 45.638 45.100 -0.215 0.000 0.769 -150 G HN 0.500 nan 8.290 nan 0.000 0.507 -149 E N -1.259 118.885 120.200 -0.094 0.000 2.307 -149 E HA 0.129 4.479 4.350 0.000 0.000 0.195 -149 E C 1.096 177.695 176.600 -0.001 0.000 0.975 -149 E CA 0.825 57.205 56.400 -0.034 0.000 0.878 -149 E CB 0.548 30.241 29.700 -0.013 0.000 0.845 -149 E HN 0.323 nan 8.360 nan 0.000 0.488 -148 T N -1.135 113.427 114.554 0.014 0.000 2.887 -148 T HA 0.485 4.835 4.350 0.000 0.000 0.288 -148 T C 0.357 175.129 174.700 0.121 0.000 1.021 -148 T CA -0.213 61.943 62.100 0.093 0.000 1.000 -148 T CB 1.718 70.678 68.868 0.154 0.000 1.034 -148 T HN 0.011 nan 8.240 nan 0.000 0.467 -147 A N 4.136 127.049 122.820 0.155 0.000 2.021 -147 A HA 0.440 4.760 4.320 0.000 0.000 0.216 -147 A C 0.761 178.577 177.584 0.387 0.000 1.163 -147 A CA 0.696 52.843 52.037 0.182 0.000 0.676 -147 A CB -0.098 18.979 19.000 0.128 0.000 0.818 -147 A HN 0.728 nan 8.150 nan 0.000 0.453 -146 M N -1.876 117.946 119.600 0.371 0.000 2.531 -146 M HA 0.463 4.943 4.480 0.000 0.000 0.286 -146 M C -0.709 175.673 176.300 0.137 0.000 1.232 -146 M CA -0.228 55.240 55.300 0.281 0.000 0.877 -146 M CB 2.574 35.245 32.600 0.118 0.000 1.726 -146 M HN 0.065 nan 8.290 nan 0.000 0.463 -145 T N 1.172 115.625 114.554 -0.169 0.000 2.841 -145 T HA 0.789 5.139 4.350 0.000 0.000 0.296 -145 T C -1.861 172.745 174.700 -0.158 0.000 1.166 -145 T CA -0.542 61.452 62.100 -0.176 0.000 1.007 -145 T CB 1.445 70.066 68.868 -0.412 0.000 1.253 -145 T HN 0.569 nan 8.240 nan 0.000 0.511 -144 I N 3.636 124.178 120.570 -0.046 0.000 2.410 -144 I HA 0.537 4.707 4.170 0.000 0.000 0.286 -144 I C -0.270 175.944 176.117 0.161 0.000 1.009 -144 I CA -0.669 60.616 61.300 -0.026 0.000 1.111 -144 I CB 1.541 39.426 38.000 -0.191 0.000 1.262 -144 I HN 0.470 nan 8.210 nan 0.000 0.443 -143 N N 3.063 121.819 118.700 0.094 0.000 3.020 -143 N HA 0.555 5.295 4.740 0.000 0.000 0.248 -143 N C -0.826 174.571 175.510 -0.187 0.000 1.480 -143 N CA -0.354 52.775 53.050 0.132 0.000 0.874 -143 N CB 2.350 40.832 38.487 -0.008 0.000 1.433 -143 N HN 0.608 nan 8.380 nan 0.000 0.530 -142 G N -0.033 108.310 108.800 -0.763 0.000 2.613 -142 G HA2 0.457 4.418 3.960 0.000 0.000 0.303 -142 G HA3 0.457 4.418 3.960 0.000 0.000 0.303 -142 G C -1.916 172.002 174.900 -1.637 0.000 1.312 -142 G CA -1.051 43.196 45.100 -1.422 0.000 1.036 -142 G HN 0.346 nan 8.290 nan 0.000 0.513 -141 P HA -0.093 nan 4.420 nan 0.000 0.218 -141 P C 1.383 177.870 177.300 -1.356 0.000 1.148 -141 P CA 1.563 63.489 63.100 -1.955 0.000 0.822 -141 P CB -0.019 30.942 31.700 -1.232 0.000 0.784 -140 W N -0.219 120.786 121.300 -0.492 0.000 2.387 -140 W HA 0.001 4.661 4.660 0.000 0.000 0.272 -140 W C 1.801 178.226 176.519 -0.157 0.000 1.224 -140 W CA 0.908 58.098 57.345 -0.259 0.000 1.210 -140 W CB -1.882 27.489 29.460 -0.149 0.000 1.125 -140 W HN -0.137 nan 8.180 nan 0.000 0.572 -139 A N 0.046 122.572 122.820 -0.490 0.000 2.123 -139 A HA 0.031 4.351 4.320 0.000 0.000 0.214 -139 A C 1.577 179.146 177.584 -0.024 0.000 1.152 -139 A CA 0.817 52.769 52.037 -0.142 0.000 0.728 -139 A CB -1.123 17.755 19.000 -0.203 0.000 0.814 -139 A HN 0.412 nan 8.150 nan 0.000 0.464 -138 W N 0.095 121.305 121.300 -0.150 0.000 2.363 -138 W HA -0.070 4.590 4.660 0.000 0.000 0.296 -138 W C 2.635 179.094 176.519 -0.100 0.000 1.212 -138 W CA 0.547 57.793 57.345 -0.165 0.000 1.260 -138 W CB -1.543 27.913 29.460 -0.007 0.000 1.131 -138 W HN 0.371 nan 8.180 nan 0.000 0.530 -137 S N 0.738 116.553 115.700 0.192 0.000 2.359 -137 S HA -0.205 4.266 4.470 0.000 0.000 0.223 -137 S C 1.737 176.385 174.600 0.080 0.000 1.039 -137 S CA 1.868 60.146 58.200 0.130 0.000 1.042 -137 S CB -0.328 62.927 63.200 0.092 0.000 0.915 -137 S HN 0.179 nan 8.310 nan 0.000 0.439 -136 N N 1.238 119.976 118.700 0.063 0.000 2.244 -136 N HA 0.040 4.780 4.740 0.000 0.000 0.183 -136 N C 1.650 177.172 175.510 0.020 0.000 1.016 -136 N CA 1.015 54.094 53.050 0.048 0.000 0.866 -136 N CB -0.473 38.054 38.487 0.066 0.000 0.980 -136 N HN 0.503 nan 8.380 nan 0.000 0.430 -135 I N 0.843 121.391 120.570 -0.037 0.000 2.252 -135 I HA -0.205 3.965 4.170 0.000 0.000 0.245 -135 I C 1.498 177.592 176.117 -0.039 0.000 1.102 -135 I CA 0.985 62.208 61.300 -0.128 0.000 1.385 -135 I CB -0.276 37.421 38.000 -0.506 0.000 1.064 -135 I HN -0.061 nan 8.210 nan 0.000 0.414 -134 D N 0.866 121.291 120.400 0.041 0.000 2.133 -134 D HA -0.160 4.480 4.640 0.000 0.000 0.195 -134 D C 2.244 178.594 176.300 0.085 0.000 0.997 -134 D CA 1.779 55.865 54.000 0.143 0.000 0.840 -134 D CB -0.400 40.494 40.800 0.157 0.000 0.947 -134 D HN 0.287 nan 8.370 nan 0.000 0.452 -133 T N 0.126 114.714 114.554 0.057 0.000 2.777 -133 T HA -0.131 4.219 4.350 0.000 0.000 0.266 -133 T C 2.037 176.754 174.700 0.029 0.000 1.040 -133 T CA 1.671 63.795 62.100 0.041 0.000 1.141 -133 T CB -0.269 68.620 68.868 0.035 0.000 0.868 -133 T HN 0.226 nan 8.240 nan 0.000 0.444 -132 S N 0.755 116.469 115.700 0.022 0.000 2.507 -132 S HA -0.019 4.451 4.470 0.000 0.000 0.235 -132 S C 1.077 175.678 174.600 0.002 0.000 0.988 -132 S CA 0.944 59.147 58.200 0.005 0.000 0.944 -132 S CB -0.441 62.754 63.200 -0.008 0.000 0.762 -132 S HN 0.524 nan 8.310 nan 0.000 0.526 -131 K N -0.644 119.771 120.400 0.026 0.000 3.407 -131 K HA -0.114 4.206 4.320 0.000 0.000 0.312 -131 K C -0.560 176.049 176.600 0.015 0.000 1.302 -131 K CA 0.642 56.946 56.287 0.028 0.000 0.931 -131 K CB -2.183 30.323 32.500 0.010 0.000 1.257 -131 K HN 0.376 nan 8.250 nan 0.000 0.454 -130 V N 2.007 121.924 119.914 0.004 0.000 2.529 -130 V HA -0.028 4.092 4.120 0.000 0.000 0.292 -130 V C 0.768 176.912 176.094 0.083 0.000 1.028 -130 V CA -0.171 62.112 62.300 -0.029 0.000 1.074 -130 V CB 0.991 32.715 31.823 -0.164 0.000 0.958 -130 V HN 0.223 nan 8.190 nan 0.000 0.481 -129 N N 5.526 124.232 118.700 0.010 0.000 2.406 -129 N HA 0.093 4.833 4.740 0.000 0.000 0.269 -129 N C -0.791 174.695 175.510 -0.040 0.000 1.210 -129 N CA -0.086 52.949 53.050 -0.025 0.000 0.966 -129 N CB -0.221 38.227 38.487 -0.066 0.000 1.293 -129 N HN 0.589 nan 8.380 nan 0.000 0.491 -128 Y N 0.485 120.692 120.300 -0.156 0.000 2.487 -128 Y HA 0.852 5.402 4.550 0.000 0.000 0.337 -128 Y C 0.384 176.056 175.900 -0.380 0.000 1.076 -128 Y CA -1.571 56.403 58.100 -0.210 0.000 1.115 -128 Y CB 0.809 39.273 38.460 0.008 0.000 1.235 -128 Y HN 0.245 nan 8.280 nan 0.000 0.468 -127 G N 1.033 109.423 108.800 -0.685 0.000 2.473 -127 G HA2 0.597 4.557 3.960 0.000 0.000 0.321 -127 G HA3 0.597 4.557 3.960 0.000 0.000 0.321 -127 G C -1.934 172.850 174.900 -0.193 0.000 1.200 -127 G CA -1.153 43.562 45.100 -0.641 0.000 0.963 -127 G HN 0.681 nan 8.290 nan 0.000 0.483 -126 V N 0.474 120.338 119.914 -0.083 0.000 2.444 -126 V HA 0.712 4.832 4.120 0.000 0.000 0.294 -126 V C 0.164 176.295 176.094 0.062 0.000 1.022 -126 V CA -0.472 61.833 62.300 0.007 0.000 0.850 -126 V CB 1.232 32.954 31.823 -0.167 0.000 0.992 -126 V HN 0.918 nan 8.190 nan 0.000 0.426 -125 T N 2.789 117.406 114.554 0.107 0.000 2.804 -125 T HA 0.530 4.880 4.350 0.000 0.000 0.290 -125 T C -0.819 173.877 174.700 -0.007 0.000 1.099 -125 T CA -0.363 61.763 62.100 0.044 0.000 1.011 -125 T CB 2.047 70.926 68.868 0.017 0.000 1.291 -125 T HN 0.465 nan 8.240 nan 0.000 0.523 -124 V N 3.247 123.138 119.914 -0.038 0.000 2.673 -124 V HA 0.305 4.425 4.120 0.000 0.000 0.303 -124 V C 0.307 176.351 176.094 -0.082 0.000 1.046 -124 V CA 0.045 62.317 62.300 -0.047 0.000 1.126 -124 V CB -0.073 31.720 31.823 -0.051 0.000 0.934 -124 V HN 0.713 nan 8.190 nan 0.000 0.487 -123 L N 8.547 129.728 121.223 -0.069 0.000 2.483 -123 L HA 0.240 4.581 4.340 0.000 0.000 0.276 -123 L C -1.942 174.847 176.870 -0.135 0.000 1.213 -123 L CA -1.214 53.562 54.840 -0.106 0.000 0.843 -123 L CB 0.252 42.292 42.059 -0.031 0.000 1.107 -123 L HN 0.562 nan 8.230 nan 0.000 0.487 -122 P HA 0.105 nan 4.420 nan 0.000 0.274 -122 P C -0.628 176.656 177.300 -0.026 0.000 1.231 -122 P CA -0.532 62.397 63.100 -0.285 0.000 0.790 -122 P CB 0.538 31.836 31.700 -0.670 0.000 0.951 -121 T N -0.943 113.632 114.554 0.036 0.000 2.828 -121 T HA 0.450 4.800 4.350 0.000 0.000 0.290 -121 T C -0.646 174.244 174.700 0.316 0.000 1.019 -121 T CA -0.235 61.947 62.100 0.136 0.000 1.031 -121 T CB 0.111 69.001 68.868 0.036 0.000 1.001 -121 T HN 0.224 nan 8.240 nan 0.000 0.531 -120 F N 1.511 121.488 119.950 0.044 0.000 2.536 -120 F HA 0.454 4.981 4.527 0.000 0.000 0.322 -120 F C 0.382 176.120 175.800 -0.104 0.000 1.144 -120 F CA -1.344 56.607 58.000 -0.081 0.000 0.924 -120 F CB 1.193 40.043 39.000 -0.249 0.000 1.181 -120 F HN 0.880 nan 8.300 nan 0.000 0.438 -119 K N 4.536 124.550 120.400 -0.644 0.000 3.035 -119 K HA -0.214 4.106 4.320 0.000 0.000 0.262 -119 K C 0.959 177.413 176.600 -0.245 0.000 1.024 -119 K CA 0.867 56.853 56.287 -0.502 0.000 0.748 -119 K CB -1.739 30.365 32.500 -0.661 0.000 1.247 -119 K HN 1.438 nan 8.250 nan 0.000 0.482 -118 G N -0.812 107.900 108.800 -0.146 0.000 2.234 -118 G HA2 -0.320 3.640 3.960 0.000 0.000 0.260 -118 G HA3 -0.320 3.640 3.960 0.000 0.000 0.260 -118 G C -0.043 174.824 174.900 -0.055 0.000 0.987 -118 G CA 0.498 45.548 45.100 -0.083 0.000 0.625 -118 G HN 0.304 nan 8.290 nan 0.000 0.532 -117 Q N 0.947 120.714 119.800 -0.054 0.000 2.235 -117 Q HA 0.464 4.804 4.340 0.000 0.000 0.250 -117 Q C -2.481 173.529 176.000 0.017 0.000 0.909 -117 Q CA -1.955 53.833 55.803 -0.025 0.000 0.910 -117 Q CB 1.404 30.121 28.738 -0.034 0.000 1.223 -117 Q HN 0.215 nan 8.270 nan 0.000 0.432 -116 P HA 0.030 nan 4.420 nan 0.000 0.269 -116 P C -0.493 176.828 177.300 0.036 0.000 1.209 -116 P CA 0.179 63.292 63.100 0.021 0.000 0.776 -116 P CB 0.584 32.284 31.700 0.000 0.000 0.876 -115 S N 1.905 117.645 115.700 0.067 0.000 2.576 -115 S HA 0.155 4.625 4.470 0.000 0.000 0.276 -115 S C 0.237 174.836 174.600 -0.002 0.000 1.339 -115 S CA -0.224 58.009 58.200 0.056 0.000 1.039 -115 S CB 0.018 63.309 63.200 0.153 0.000 0.902 -115 S HN 0.277 nan 8.310 nan 0.000 0.516 -114 K N 3.124 123.486 120.400 -0.063 0.000 2.562 -114 K HA 0.273 4.593 4.320 0.000 0.000 0.206 -114 K C -2.681 173.906 176.600 -0.021 0.000 1.033 -114 K CA -1.741 54.512 56.287 -0.057 0.000 1.029 -114 K CB 1.043 33.482 32.500 -0.102 0.000 1.393 -114 K HN 0.394 nan 8.250 nan 0.000 0.539 -113 P HA 0.002 nan 4.420 nan 0.000 0.271 -113 P C -0.535 176.930 177.300 0.275 0.000 1.218 -113 P CA -0.283 62.890 63.100 0.121 0.000 0.780 -113 P CB 0.502 32.237 31.700 0.058 0.000 0.901 -112 F N 2.126 122.274 119.950 0.331 0.000 2.466 -112 F HA 0.066 4.593 4.527 0.000 0.000 0.363 -112 F C 0.521 176.503 175.800 0.303 0.000 1.109 -112 F CA -0.626 57.577 58.000 0.339 0.000 1.161 -112 F CB 0.003 39.229 39.000 0.376 0.000 1.117 -112 F HN -0.020 nan 8.300 nan 0.000 0.539 -111 V N 4.885 125.114 119.914 0.525 0.000 2.508 -111 V HA 0.398 4.518 4.120 0.000 0.000 0.281 -111 V C 0.776 177.112 176.094 0.402 0.000 1.041 -111 V CA -0.387 62.144 62.300 0.385 0.000 1.016 -111 V CB 0.625 32.623 31.823 0.291 0.000 0.984 -111 V HN 0.834 nan 8.190 nan 0.000 0.478 -110 G N 3.435 112.447 108.800 0.354 0.000 2.410 -110 G HA2 0.580 4.540 3.960 0.000 0.000 0.330 -110 G HA3 0.580 4.540 3.960 0.000 0.000 0.330 -110 G C -1.050 174.006 174.900 0.261 0.000 1.142 -110 G CA -0.479 44.798 45.100 0.295 0.000 0.902 -110 G HN 0.551 nan 8.290 nan 0.000 0.491 -109 V N 2.774 122.890 119.914 0.338 0.000 2.326 -109 V HA 0.209 4.329 4.120 0.000 0.000 0.281 -109 V C -0.024 176.082 176.094 0.020 0.000 1.015 -109 V CA -0.750 61.602 62.300 0.087 0.000 0.823 -109 V CB 1.107 32.845 31.823 -0.142 0.000 1.009 -109 V HN 0.701 nan 8.190 nan 0.000 0.436 -108 L N 5.801 127.011 121.223 -0.021 0.000 2.513 -108 L HA 0.382 4.722 4.340 0.000 0.000 0.272 -108 L C 0.318 177.158 176.870 -0.049 0.000 1.187 -108 L CA 1.318 56.130 54.840 -0.047 0.000 0.895 -108 L CB 0.602 42.665 42.059 0.007 0.000 1.147 -108 L HN 0.720 nan 8.230 nan 0.000 0.483 -107 S N 3.317 118.939 115.700 -0.130 0.000 2.570 -107 S HA 0.882 5.352 4.470 0.000 0.000 0.286 -107 S C -0.831 173.638 174.600 -0.217 0.000 1.099 -107 S CA -0.387 57.680 58.200 -0.221 0.000 0.913 -107 S CB 1.844 64.747 63.200 -0.495 0.000 1.085 -107 S HN 0.900 nan 8.310 nan 0.000 0.480 -106 A N 1.370 124.060 122.820 -0.218 0.000 2.267 -106 A HA 0.758 5.078 4.320 0.000 0.000 0.315 -106 A C 0.210 177.834 177.584 0.067 0.000 1.297 -106 A CA -0.592 51.179 52.037 -0.444 0.000 0.865 -106 A CB 0.255 18.819 19.000 -0.727 0.000 1.165 -106 A HN 0.902 nan 8.150 nan 0.000 0.513 -105 G N 1.539 110.427 108.800 0.147 0.000 2.388 -105 G HA2 0.567 4.527 3.960 0.000 0.000 0.330 -105 G HA3 0.567 4.527 3.960 0.000 0.000 0.330 -105 G C -0.502 174.373 174.900 -0.043 0.000 1.142 -105 G CA -0.587 44.582 45.100 0.115 0.000 0.908 -105 G HN 0.678 nan 8.290 nan 0.000 0.473 -104 I N 1.971 122.554 120.570 0.022 0.000 2.342 -104 I HA 0.096 4.266 4.170 0.000 0.000 0.291 -104 I C 0.266 176.376 176.117 -0.011 0.000 1.010 -104 I CA -0.915 60.389 61.300 0.006 0.000 1.308 -104 I CB 1.343 39.380 38.000 0.062 0.000 1.400 -104 I HN 0.351 nan 8.210 nan 0.000 0.488 -103 N N 4.774 123.463 118.700 -0.017 0.000 2.447 -103 N HA 0.014 4.754 4.740 0.000 0.000 0.263 -103 N C 0.862 176.364 175.510 -0.013 0.000 1.226 -103 N CA 0.315 53.375 53.050 0.017 0.000 0.906 -103 N CB 1.457 39.936 38.487 -0.013 0.000 1.060 -103 N HN 0.790 nan 8.380 nan 0.000 0.468 -102 A N 4.023 126.833 122.820 -0.015 0.000 2.024 -102 A HA -0.092 4.229 4.320 0.000 0.000 0.220 -102 A C 1.804 179.366 177.584 -0.036 0.000 1.164 -102 A CA 1.882 53.906 52.037 -0.021 0.000 0.643 -102 A CB -0.440 18.547 19.000 -0.022 0.000 0.806 -102 A HN 0.757 nan 8.150 nan 0.000 0.451 -101 A N -0.791 121.992 122.820 -0.062 0.000 2.275 -101 A HA 0.365 4.685 4.320 0.000 0.000 0.212 -101 A C 1.321 178.869 177.584 -0.060 0.000 1.201 -101 A CA 0.690 52.686 52.037 -0.067 0.000 0.843 -101 A CB -0.455 18.488 19.000 -0.097 0.000 0.873 -101 A HN 0.490 nan 8.150 nan 0.000 0.492 -100 S N 1.307 116.974 115.700 -0.055 0.000 2.533 -100 S HA 0.266 4.736 4.470 0.000 0.000 0.282 -100 S C -1.286 173.295 174.600 -0.031 0.000 1.304 -100 S CA -0.883 57.287 58.200 -0.050 0.000 1.063 -100 S CB 0.765 63.935 63.200 -0.050 0.000 0.881 -100 S HN 0.291 nan 8.310 nan 0.000 0.493 -99 P HA 0.144 nan 4.420 nan 0.000 0.249 -99 P C -0.329 176.968 177.300 -0.006 0.000 1.229 -99 P CA 0.205 63.296 63.100 -0.016 0.000 0.788 -99 P CB -0.020 31.669 31.700 -0.017 0.000 1.072 -98 N N 0.334 119.029 118.700 -0.008 0.000 2.467 -98 N HA 0.120 4.861 4.740 0.000 0.000 0.278 -98 N C 0.984 176.501 175.510 0.013 0.000 1.306 -98 N CA -0.248 52.805 53.050 0.004 0.000 0.905 -98 N CB 0.533 39.017 38.487 -0.006 0.000 1.236 -98 N HN 0.181 nan 8.380 nan 0.000 0.509 -97 K N 0.676 121.086 120.400 0.017 0.000 2.063 -97 K HA -0.113 4.207 4.320 0.000 0.000 0.208 -97 K C 1.299 177.928 176.600 0.049 0.000 1.048 -97 K CA 0.995 57.300 56.287 0.030 0.000 0.928 -97 K CB 0.296 32.814 32.500 0.030 0.000 0.713 -97 K HN 0.076 nan 8.250 nan 0.000 0.442 -96 E N 1.111 121.343 120.200 0.052 0.000 2.077 -96 E HA -0.127 4.223 4.350 0.000 0.000 0.193 -96 E C 2.107 178.766 176.600 0.098 0.000 0.989 -96 E CA 0.961 57.403 56.400 0.068 0.000 0.800 -96 E CB -0.225 29.512 29.700 0.062 0.000 0.746 -96 E HN 0.272 nan 8.360 nan 0.000 0.452 -95 L N 0.274 121.559 121.223 0.105 0.000 2.017 -95 L HA -0.187 4.153 4.340 0.000 0.000 0.208 -95 L C 2.544 179.466 176.870 0.087 0.000 1.073 -95 L CA 1.319 56.260 54.840 0.168 0.000 0.745 -95 L CB -0.605 41.546 42.059 0.154 0.000 0.894 -95 L HN 0.057 nan 8.230 nan 0.000 0.432 -94 A N 0.144 122.978 122.820 0.022 0.000 1.883 -94 A HA -0.280 4.040 4.320 0.000 0.000 0.217 -94 A C 2.434 180.037 177.584 0.033 0.000 1.186 -94 A CA 2.188 54.224 52.037 -0.002 0.000 0.624 -94 A CB -0.535 18.467 19.000 0.004 0.000 0.822 -94 A HN 0.373 nan 8.150 nan 0.000 0.444 -93 K N -0.275 120.155 120.400 0.049 0.000 2.026 -93 K HA -0.191 4.129 4.320 0.000 0.000 0.208 -93 K C 1.938 178.527 176.600 -0.019 0.000 1.048 -93 K CA 1.626 57.923 56.287 0.017 0.000 0.929 -93 K CB -0.255 32.292 32.500 0.078 0.000 0.713 -93 K HN 0.605 nan 8.250 nan 0.000 0.439 -92 E N -0.142 120.114 120.200 0.094 0.000 2.058 -92 E HA -0.228 4.122 4.350 0.000 0.000 0.194 -92 E C 1.923 178.673 176.600 0.251 0.000 0.997 -92 E CA 1.612 58.136 56.400 0.208 0.000 0.801 -92 E CB -0.285 29.643 29.700 0.379 0.000 0.746 -92 E HN 0.365 nan 8.360 nan 0.000 0.450 -91 F N 1.423 121.322 119.950 -0.086 0.000 2.102 -91 F HA -0.195 4.332 4.527 0.000 0.000 0.298 -91 F C 2.065 177.801 175.800 -0.107 0.000 1.105 -91 F CA 1.288 59.077 58.000 -0.353 0.000 1.239 -91 F CB -0.073 38.404 39.000 -0.872 0.000 0.991 -91 F HN -0.091 nan 8.300 nan 0.000 0.474 -90 L N -0.165 120.946 121.223 -0.186 0.000 2.072 -90 L HA -0.143 4.197 4.340 0.000 0.000 0.205 -90 L C 2.387 179.040 176.870 -0.363 0.000 1.079 -90 L CA 1.541 56.168 54.840 -0.354 0.000 0.752 -90 L CB -0.650 41.100 42.059 -0.515 0.000 0.906 -90 L HN 0.166 nan 8.230 nan 0.000 0.436 -89 E N -0.166 119.809 120.200 -0.375 0.000 2.076 -89 E HA -0.101 4.249 4.350 0.000 0.000 0.190 -89 E C 1.475 178.043 176.600 -0.054 0.000 0.979 -89 E CA 0.794 56.980 56.400 -0.356 0.000 0.807 -89 E CB 0.125 29.432 29.700 -0.656 0.000 0.761 -89 E HN 0.438 nan 8.360 nan 0.000 0.454 -88 N N -0.936 117.747 118.700 -0.028 0.000 2.325 -88 N HA 0.021 4.761 4.740 0.000 0.000 0.182 -88 N C 0.604 175.955 175.510 -0.265 0.000 1.088 -88 N CA 0.617 53.629 53.050 -0.063 0.000 0.879 -88 N CB 0.383 38.864 38.487 -0.010 0.000 0.983 -88 N HN 0.194 nan 8.380 nan 0.000 0.471 -87 Y N -0.512 119.693 120.300 -0.159 0.000 2.678 -87 Y HA 0.238 4.788 4.550 0.000 0.000 0.274 -87 Y C 1.774 177.484 175.900 -0.317 0.000 1.114 -87 Y CA -0.270 57.699 58.100 -0.218 0.000 1.274 -87 Y CB -0.296 38.027 38.460 -0.229 0.000 1.438 -87 Y HN -0.138 nan 8.280 nan 0.000 0.493 -86 L N 0.326 121.335 121.223 -0.356 0.000 2.007 -86 L HA 0.055 4.395 4.340 0.000 0.000 0.205 -86 L C 0.907 177.712 176.870 -0.108 0.000 1.073 -86 L CA 1.735 56.418 54.840 -0.262 0.000 0.744 -86 L CB -0.644 41.241 42.059 -0.290 0.000 0.898 -86 L HN 0.127 nan 8.230 nan 0.000 0.435 -85 L N 1.331 122.523 121.223 -0.051 0.000 2.858 -85 L HA 0.122 4.462 4.340 0.000 0.000 0.243 -85 L C 0.038 176.912 176.870 0.005 0.000 1.416 -85 L CA 0.002 54.861 54.840 0.031 0.000 1.182 -85 L CB -1.602 40.574 42.059 0.194 0.000 1.564 -85 L HN 0.427 nan 8.230 nan 0.000 0.436 -84 T N -6.665 107.850 114.554 -0.065 0.000 2.901 -84 T HA 0.310 4.660 4.350 0.000 0.000 0.293 -84 T C 0.560 175.162 174.700 -0.163 0.000 1.084 -84 T CA -0.856 61.190 62.100 -0.090 0.000 1.008 -84 T CB 2.066 70.871 68.868 -0.105 0.000 1.170 -84 T HN -0.034 nan 8.240 nan 0.000 0.509 -83 D N 0.745 121.043 120.400 -0.169 0.000 2.104 -83 D HA -0.074 4.566 4.640 0.000 0.000 0.194 -83 D C 1.831 177.898 176.300 -0.389 0.000 0.994 -83 D CA 1.679 55.487 54.000 -0.319 0.000 0.830 -83 D CB -0.159 40.559 40.800 -0.136 0.000 0.959 -83 D HN 0.796 nan 8.370 nan 0.000 0.452 -82 E N 0.118 120.194 120.200 -0.207 0.000 2.077 -82 E HA -0.062 4.288 4.350 0.000 0.000 0.193 -82 E C 2.229 178.742 176.600 -0.145 0.000 0.989 -82 E CA 1.285 57.595 56.400 -0.150 0.000 0.800 -82 E CB -0.553 29.099 29.700 -0.080 0.000 0.746 -82 E HN 0.330 nan 8.360 nan 0.000 0.452 -81 G N 0.826 109.543 108.800 -0.139 0.000 2.421 -81 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 -81 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 -81 G C 1.545 176.373 174.900 -0.120 0.000 1.171 -81 G CA 0.642 45.681 45.100 -0.103 0.000 0.775 -81 G HN 0.114 nan 8.290 nan 0.000 0.543 -80 L N -0.056 121.046 121.223 -0.202 0.000 2.056 -80 L HA -0.011 4.330 4.340 0.000 0.000 0.207 -80 L C 2.777 179.526 176.870 -0.202 0.000 1.078 -80 L CA 1.254 55.984 54.840 -0.183 0.000 0.749 -80 L CB -0.428 41.506 42.059 -0.209 0.000 0.901 -80 L HN 0.317 nan 8.230 nan 0.000 0.433 -79 E N 0.463 120.410 120.200 -0.420 0.000 2.118 -79 E HA -0.258 4.092 4.350 0.000 0.000 0.195 -79 E C 2.192 178.769 176.600 -0.038 0.000 0.992 -79 E CA 1.223 57.502 56.400 -0.203 0.000 0.804 -79 E CB 0.058 29.625 29.700 -0.221 0.000 0.741 -79 E HN 0.468 nan 8.360 nan 0.000 0.458 -78 A N 0.365 123.152 122.820 -0.054 0.000 1.908 -78 A HA -0.154 4.166 4.320 0.000 0.000 0.218 -78 A C 2.348 179.933 177.584 0.002 0.000 1.181 -78 A CA 1.575 53.607 52.037 -0.009 0.000 0.627 -78 A CB -0.487 18.513 19.000 0.001 0.000 0.818 -78 A HN 0.216 nan 8.150 nan 0.000 0.445 -77 V N 0.156 120.068 119.914 -0.003 0.000 2.407 -77 V HA -0.166 3.955 4.120 0.000 0.000 0.245 -77 V C 2.292 178.400 176.094 0.023 0.000 1.041 -77 V CA 1.998 64.296 62.300 -0.002 0.000 1.040 -77 V CB -1.072 30.745 31.823 -0.010 0.000 0.671 -77 V HN 0.686 nan 8.190 nan 0.000 0.455 -76 N N 0.429 119.170 118.700 0.068 0.000 2.223 -76 N HA -0.161 4.579 4.740 0.000 0.000 0.185 -76 N C 1.754 177.329 175.510 0.108 0.000 1.016 -76 N CA 1.217 54.339 53.050 0.121 0.000 0.863 -76 N CB -0.122 38.509 38.487 0.240 0.000 0.983 -76 N HN 0.377 nan 8.380 nan 0.000 0.429 -75 K N -0.516 119.936 120.400 0.087 0.000 2.365 -75 K HA -0.083 4.237 4.320 0.000 0.000 0.199 -75 K C 0.812 177.437 176.600 0.043 0.000 1.045 -75 K CA 0.739 57.071 56.287 0.075 0.000 0.962 -75 K CB 0.086 32.624 32.500 0.063 0.000 0.759 -75 K HN 0.300 nan 8.250 nan 0.000 0.469 -74 D N 0.671 121.079 120.400 0.014 0.000 2.232 -74 D HA -0.020 4.621 4.640 0.000 0.000 0.220 -74 D C -0.109 176.180 176.300 -0.019 0.000 0.982 -74 D CA 1.183 55.165 54.000 -0.031 0.000 0.892 -74 D CB 0.520 41.268 40.800 -0.087 0.000 1.040 -74 D HN -0.199 nan 8.370 nan 0.000 0.463 -73 K N 0.742 121.136 120.400 -0.010 0.000 2.471 -73 K HA 0.417 4.738 4.320 0.000 0.000 0.252 -73 K C -2.652 173.970 176.600 0.037 0.000 0.938 -73 K CA -2.247 54.055 56.287 0.025 0.000 0.796 -73 K CB 1.774 34.294 32.500 0.034 0.000 1.161 -73 K HN -0.010 nan 8.250 nan 0.000 0.425 -72 P HA 0.078 nan 4.420 nan 0.000 0.264 -72 P C 0.648 177.917 177.300 -0.050 0.000 1.183 -72 P CA 0.048 63.147 63.100 -0.001 0.000 0.763 -72 P CB 0.572 32.241 31.700 -0.051 0.000 0.807 -71 L N 1.891 123.127 121.223 0.021 0.000 2.270 -71 L HA 0.146 4.486 4.340 0.000 0.000 0.210 -71 L C 1.525 178.405 176.870 0.016 0.000 1.104 -71 L CA 1.334 56.202 54.840 0.046 0.000 0.804 -71 L CB -0.728 41.387 42.059 0.094 0.000 0.937 -71 L HN 0.757 nan 8.230 nan 0.000 0.450 -70 G N -0.462 108.317 108.800 -0.036 0.000 2.443 -70 G HA2 -0.116 3.845 3.960 0.000 0.000 0.209 -70 G HA3 -0.116 3.845 3.960 0.000 0.000 0.209 -70 G C -0.513 174.430 174.900 0.072 0.000 1.176 -70 G CA -0.383 44.711 45.100 -0.010 0.000 1.074 -70 G HN 0.339 nan 8.290 nan 0.000 0.577 -69 A N 0.531 123.403 122.820 0.086 0.000 2.343 -69 A HA 0.717 5.037 4.320 0.000 0.000 0.305 -69 A C 0.918 178.564 177.584 0.102 0.000 1.308 -69 A CA 0.542 52.633 52.037 0.090 0.000 0.949 -69 A CB -0.216 18.835 19.000 0.085 0.000 1.148 -69 A HN 2.284 nan 8.150 nan 0.000 0.545 -68 V N 0.660 120.647 119.914 0.121 0.000 3.051 -68 V HA 0.490 4.610 4.120 0.000 0.000 0.306 -68 V C 1.250 177.435 176.094 0.151 0.000 1.083 -68 V CA 0.304 62.688 62.300 0.140 0.000 1.104 -68 V CB 0.619 32.574 31.823 0.221 0.000 1.027 -68 V HN 1.083 nan 8.190 nan 0.000 0.483 -67 A N 3.030 125.887 122.820 0.062 0.000 2.066 -67 A HA 0.191 4.511 4.320 0.000 0.000 0.218 -67 A C 1.139 178.699 177.584 -0.039 0.000 1.157 -67 A CA 0.601 52.633 52.037 -0.009 0.000 0.670 -67 A CB -0.486 18.390 19.000 -0.206 0.000 0.804 -67 A HN 1.008 nan 8.150 nan 0.000 0.453 -66 L N 0.690 121.902 121.223 -0.018 0.000 2.325 -66 L HA 0.216 4.556 4.340 0.000 0.000 0.284 -66 L C 1.087 177.896 176.870 -0.101 0.000 1.089 -66 L CA 0.034 54.817 54.840 -0.096 0.000 0.836 -66 L CB 0.302 42.349 42.059 -0.020 0.000 1.184 -66 L HN 0.255 nan 8.230 nan 0.000 0.444 -65 K N 1.517 121.700 120.400 -0.361 0.000 2.052 -65 K HA -0.259 4.062 4.320 0.000 0.000 0.215 -65 K C 1.937 178.477 176.600 -0.100 0.000 1.053 -65 K CA 2.282 58.310 56.287 -0.432 0.000 0.934 -65 K CB -0.199 32.014 32.500 -0.478 0.000 0.717 -65 K HN 0.915 nan 8.250 nan 0.000 0.450 -64 S N -0.246 115.424 115.700 -0.051 0.000 2.402 -64 S HA -0.173 4.297 4.470 0.000 0.000 0.229 -64 S C 1.985 176.656 174.600 0.118 0.000 1.021 -64 S CA 0.899 59.114 58.200 0.025 0.000 0.974 -64 S CB -0.419 62.790 63.200 0.015 0.000 0.800 -64 S HN 0.372 nan 8.310 nan 0.000 0.484 -63 Y N 2.188 122.485 120.300 -0.006 0.000 2.397 -63 Y HA 0.232 4.782 4.550 0.000 0.000 0.292 -63 Y C 2.343 178.279 175.900 0.060 0.000 1.115 -63 Y CA 1.060 59.174 58.100 0.024 0.000 1.208 -63 Y CB -0.392 38.079 38.460 0.018 0.000 1.046 -63 Y HN 0.299 nan 8.280 nan 0.000 0.552 -62 E N 0.924 121.160 120.200 0.060 0.000 2.204 -62 E HA -0.192 4.158 4.350 0.000 0.000 0.195 -62 E C 1.654 178.270 176.600 0.026 0.000 0.990 -62 E CA 1.549 57.979 56.400 0.049 0.000 0.821 -62 E CB -0.196 29.672 29.700 0.280 0.000 0.750 -62 E HN 0.566 nan 8.360 nan 0.000 0.477 -61 E N -0.210 120.019 120.200 0.048 0.000 2.338 -61 E HA -0.139 4.211 4.350 0.000 0.000 0.197 -61 E C 1.482 178.076 176.600 -0.011 0.000 1.007 -61 E CA 1.049 57.473 56.400 0.039 0.000 0.849 -61 E CB 0.108 29.838 29.700 0.051 0.000 0.774 -61 E HN 0.450 nan 8.360 nan 0.000 0.506 -60 E N -0.136 120.020 120.200 -0.074 0.000 2.162 -60 E HA 0.001 4.351 4.350 0.000 0.000 0.193 -60 E C 1.990 178.506 176.600 -0.140 0.000 0.953 -60 E CA 0.260 56.601 56.400 -0.098 0.000 0.849 -60 E CB 0.102 29.738 29.700 -0.107 0.000 0.810 -60 E HN 0.235 nan 8.360 nan 0.000 0.470 -59 L N 1.171 122.252 121.223 -0.235 0.000 2.217 -59 L HA -0.006 4.334 4.340 0.000 0.000 0.211 -59 L C 2.599 179.435 176.870 -0.056 0.000 1.107 -59 L CA 0.596 55.338 54.840 -0.164 0.000 0.783 -59 L CB -0.527 41.403 42.059 -0.214 0.000 0.919 -59 L HN 0.105 nan 8.230 nan 0.000 0.442 -58 A N 0.354 123.151 122.820 -0.038 0.000 1.978 -58 A HA -0.205 4.115 4.320 0.000 0.000 0.220 -58 A C 2.310 179.887 177.584 -0.012 0.000 1.170 -58 A CA 1.420 53.454 52.037 -0.006 0.000 0.636 -58 A CB -0.273 18.733 19.000 0.010 0.000 0.810 -58 A HN 0.235 nan 8.150 nan 0.000 0.448 -57 K N 0.690 121.077 120.400 -0.021 0.000 2.044 -57 K HA -0.154 4.166 4.320 0.000 0.000 0.210 -57 K C 0.484 177.064 176.600 -0.033 0.000 1.049 -57 K CA 0.859 57.131 56.287 -0.025 0.000 0.927 -57 K CB -0.886 31.599 32.500 -0.026 0.000 0.713 -57 K HN 0.531 nan 8.250 nan 0.000 0.443 -56 D N 2.272 122.651 120.400 -0.034 0.000 2.502 -56 D HA -0.048 4.592 4.640 0.000 0.000 0.249 -56 D C -1.486 174.773 176.300 -0.068 0.000 1.188 -56 D CA -1.373 52.595 54.000 -0.053 0.000 0.890 -56 D CB 0.993 41.776 40.800 -0.028 0.000 1.140 -56 D HN -0.024 nan 8.370 nan 0.000 0.505 -55 P HA -0.160 nan 4.420 nan 0.000 0.221 -55 P C 1.070 178.292 177.300 -0.130 0.000 1.145 -55 P CA 0.971 64.011 63.100 -0.100 0.000 0.795 -55 P CB 0.302 31.933 31.700 -0.115 0.000 0.775 -54 R N -0.684 119.676 120.500 -0.232 0.000 2.092 -54 R HA -0.017 4.323 4.340 0.000 0.000 0.231 -54 R C 2.397 178.675 176.300 -0.036 0.000 1.119 -54 R CA 0.953 56.831 56.100 -0.371 0.000 0.970 -54 R CB -0.601 29.060 30.300 -1.064 0.000 0.864 -54 R HN 0.175 nan 8.270 nan 0.000 0.440 -53 I N 0.899 121.511 120.570 0.070 0.000 2.315 -53 I HA -0.154 4.016 4.170 0.000 0.000 0.248 -53 I C 2.513 178.684 176.117 0.089 0.000 1.117 -53 I CA 1.126 62.534 61.300 0.181 0.000 1.404 -53 I CB -1.326 36.756 38.000 0.137 0.000 1.071 -53 I HN 0.136 nan 8.210 nan 0.000 0.419 -52 A N 1.192 124.028 122.820 0.027 0.000 1.883 -52 A HA -0.180 4.140 4.320 0.000 0.000 0.217 -52 A C 2.594 180.186 177.584 0.015 0.000 1.186 -52 A CA 2.248 54.289 52.037 0.007 0.000 0.624 -52 A CB -0.814 18.176 19.000 -0.017 0.000 0.822 -52 A HN 0.414 nan 8.150 nan 0.000 0.444 -51 A N -1.088 121.741 122.820 0.016 0.000 1.902 -51 A HA -0.078 4.242 4.320 0.000 0.000 0.217 -51 A C 2.298 179.920 177.584 0.063 0.000 1.181 -51 A CA 2.302 54.355 52.037 0.026 0.000 0.623 -51 A CB -1.353 17.656 19.000 0.014 0.000 0.818 -51 A HN 0.452 nan 8.150 nan 0.000 0.443 -50 T N 0.055 114.681 114.554 0.121 0.000 2.665 -50 T HA -0.184 4.166 4.350 0.000 0.000 0.268 -50 T C 1.910 176.658 174.700 0.080 0.000 1.035 -50 T CA 1.800 63.981 62.100 0.137 0.000 1.151 -50 T CB -0.253 68.738 68.868 0.205 0.000 0.862 -50 T HN 0.277 nan 8.240 nan 0.000 0.438 -49 M N 0.771 120.405 119.600 0.057 0.000 2.288 -49 M HA 0.071 4.551 4.480 0.000 0.000 0.266 -49 M C 2.295 178.593 176.300 -0.002 0.000 1.072 -49 M CA 1.042 56.353 55.300 0.018 0.000 1.132 -49 M CB -0.977 31.620 32.600 -0.004 0.000 1.386 -49 M HN 0.398 nan 8.290 nan 0.000 0.432 -48 E N 0.481 120.683 120.200 0.002 0.000 2.051 -48 E HA -0.205 4.145 4.350 0.000 0.000 0.192 -48 E C 1.719 178.320 176.600 0.001 0.000 0.991 -48 E CA 1.187 57.583 56.400 -0.007 0.000 0.799 -48 E CB 0.119 29.813 29.700 -0.010 0.000 0.748 -48 E HN 0.422 nan 8.360 nan 0.000 0.449 -47 N N 0.480 119.189 118.700 0.016 0.000 2.166 -47 N HA -0.159 4.581 4.740 0.000 0.000 0.186 -47 N C 1.756 177.287 175.510 0.035 0.000 1.019 -47 N CA 1.267 54.331 53.050 0.023 0.000 0.856 -47 N CB -0.356 38.149 38.487 0.030 0.000 0.993 -47 N HN 0.260 nan 8.380 nan 0.000 0.426 -46 A N 1.027 123.872 122.820 0.042 0.000 1.940 -46 A HA -0.216 4.104 4.320 0.000 0.000 0.219 -46 A C 2.183 179.780 177.584 0.021 0.000 1.176 -46 A CA 1.619 53.687 52.037 0.052 0.000 0.631 -46 A CB -0.650 18.379 19.000 0.048 0.000 0.814 -46 A HN 0.398 nan 8.150 nan 0.000 0.446 -45 Q N -0.442 119.351 119.800 -0.011 0.000 2.172 -45 Q HA -0.076 4.264 4.340 0.000 0.000 0.200 -45 Q C 1.741 177.734 176.000 -0.013 0.000 0.964 -45 Q CA 1.484 57.267 55.803 -0.033 0.000 0.855 -45 Q CB -0.045 28.663 28.738 -0.050 0.000 0.918 -45 Q HN 0.665 nan 8.270 nan 0.000 0.444 -44 K N -0.514 119.886 120.400 -0.000 0.000 2.365 -44 K HA 0.074 4.394 4.320 0.000 0.000 0.197 -44 K C 1.020 177.629 176.600 0.015 0.000 1.042 -44 K CA 0.516 56.804 56.287 0.002 0.000 0.987 -44 K CB 0.352 32.852 32.500 -0.001 0.000 0.779 -44 K HN 0.228 nan 8.250 nan 0.000 0.484 -43 G N 0.959 109.783 108.800 0.039 0.000 2.829 -43 G HA2 0.183 4.143 3.960 0.000 0.000 0.173 -43 G HA3 0.183 4.143 3.960 0.000 0.000 0.173 -43 G C -0.995 173.966 174.900 0.103 0.000 1.476 -43 G CA -0.221 44.922 45.100 0.073 0.000 1.072 -43 G HN 0.129 nan 8.290 nan 0.000 0.577 -42 E N -1.756 118.562 120.200 0.197 0.000 2.354 -42 E HA 0.345 4.695 4.350 0.000 0.000 0.283 -42 E C -1.495 175.339 176.600 0.390 0.000 0.938 -42 E CA -0.788 55.761 56.400 0.248 0.000 0.777 -42 E CB 2.339 32.196 29.700 0.261 0.000 1.222 -42 E HN 0.264 nan 8.360 nan 0.000 0.423 -41 I N 3.813 124.557 120.570 0.290 0.000 2.648 -41 I HA 0.072 4.242 4.170 0.000 0.000 0.284 -41 I C 0.353 176.680 176.117 0.350 0.000 1.153 -41 I CA 0.508 61.998 61.300 0.316 0.000 1.426 -41 I CB 0.479 38.607 38.000 0.213 0.000 1.381 -41 I HN 0.645 nan 8.210 nan 0.000 0.571 -40 M N 8.955 128.703 119.600 0.246 0.000 2.248 -40 M HA 0.162 4.643 4.480 0.000 0.000 0.345 -40 M C -2.040 174.227 176.300 -0.054 0.000 1.243 -40 M CA -1.285 53.875 55.300 -0.233 0.000 1.090 -40 M CB -0.021 32.312 32.600 -0.446 0.000 1.683 -40 M HN 0.346 nan 8.290 nan 0.000 0.450 -39 P HA -0.002 nan 4.420 nan 0.000 0.269 -39 P C -0.383 176.777 177.300 -0.233 0.000 1.217 -39 P CA 0.076 62.912 63.100 -0.441 0.000 0.783 -39 P CB 0.324 31.445 31.700 -0.965 0.000 0.898 -38 N N 1.286 119.946 118.700 -0.065 0.000 2.204 -38 N HA 0.043 4.783 4.740 0.000 0.000 0.219 -38 N C 0.386 175.864 175.510 -0.053 0.000 1.151 -38 N CA -0.282 52.761 53.050 -0.012 0.000 0.867 -38 N CB -0.768 37.825 38.487 0.178 0.000 1.043 -38 N HN 0.413 nan 8.380 nan 0.000 0.516 -37 I N -2.360 118.149 120.570 -0.102 0.000 2.836 -37 I HA 0.265 4.435 4.170 0.000 0.000 0.285 -37 I C -1.600 174.432 176.117 -0.142 0.000 1.174 -37 I CA -1.557 59.703 61.300 -0.067 0.000 1.405 -37 I CB 0.489 38.379 38.000 -0.183 0.000 1.385 -37 I HN -0.288 nan 8.210 nan 0.000 0.594 -36 P HA -0.094 nan 4.420 nan 0.000 0.225 -36 P C 0.887 178.140 177.300 -0.078 0.000 1.148 -36 P CA 1.129 64.165 63.100 -0.108 0.000 0.779 -36 P CB 0.064 31.731 31.700 -0.056 0.000 0.780 -35 Q N -1.888 117.838 119.800 -0.123 0.000 2.472 -35 Q HA 0.073 4.413 4.340 0.000 0.000 0.208 -35 Q C 1.791 177.831 176.000 0.066 0.000 0.958 -35 Q CA 0.781 56.544 55.803 -0.067 0.000 0.932 -35 Q CB -0.639 27.957 28.738 -0.236 0.000 1.007 -35 Q HN 0.168 nan 8.270 nan 0.000 0.508 -34 M N -0.649 118.947 119.600 -0.007 0.000 2.279 -34 M HA -0.111 4.369 4.480 0.000 0.000 0.264 -34 M C 2.043 178.466 176.300 0.204 0.000 1.062 -34 M CA 1.182 56.523 55.300 0.068 0.000 1.099 -34 M CB -0.987 31.581 32.600 -0.053 0.000 1.394 -34 M HN 0.208 nan 8.290 nan 0.000 0.426 -33 S N 0.276 116.072 115.700 0.160 0.000 2.368 -33 S HA -0.035 4.435 4.470 0.000 0.000 0.224 -33 S C 1.976 176.708 174.600 0.219 0.000 1.029 -33 S CA 1.383 59.696 58.200 0.187 0.000 0.988 -33 S CB -0.013 63.228 63.200 0.068 0.000 0.838 -33 S HN 0.502 nan 8.310 nan 0.000 0.462 -32 A N 0.438 123.370 122.820 0.187 0.000 1.968 -32 A HA 0.082 4.402 4.320 0.000 0.000 0.217 -32 A C 1.914 179.649 177.584 0.252 0.000 1.169 -32 A CA 1.279 53.436 52.037 0.201 0.000 0.638 -32 A CB -0.926 18.172 19.000 0.164 0.000 0.812 -32 A HN 0.681 nan 8.150 nan 0.000 0.446 -31 F N -0.624 119.390 119.950 0.106 0.000 2.069 -31 F HA -0.196 4.331 4.527 0.000 0.000 0.298 -31 F C 2.021 177.807 175.800 -0.025 0.000 1.113 -31 F CA 1.746 59.719 58.000 -0.044 0.000 1.214 -31 F CB -0.655 38.220 39.000 -0.209 0.000 0.978 -31 F HN 0.390 nan 8.300 nan 0.000 0.474 -30 W N -1.117 120.064 121.300 -0.199 0.000 2.358 -30 W HA -0.240 4.420 4.660 0.000 0.000 0.303 -30 W C 2.522 178.950 176.519 -0.151 0.000 1.208 -30 W CA 1.290 58.461 57.345 -0.290 0.000 1.274 -30 W CB -0.931 28.514 29.460 -0.025 0.000 1.138 -30 W HN 0.201 nan 8.180 nan 0.000 0.515 -29 Y N 1.028 121.405 120.300 0.128 0.000 2.165 -29 Y HA -0.271 4.279 4.550 0.000 0.000 0.286 -29 Y C 2.312 178.221 175.900 0.015 0.000 1.155 -29 Y CA 2.173 60.312 58.100 0.065 0.000 1.164 -29 Y CB -0.757 37.740 38.460 0.061 0.000 0.978 -29 Y HN -0.080 nan 8.280 nan 0.000 0.513 -28 A N -0.807 122.049 122.820 0.061 0.000 1.902 -28 A HA -0.142 4.178 4.320 0.000 0.000 0.217 -28 A C 2.283 179.790 177.584 -0.127 0.000 1.181 -28 A CA 2.016 54.034 52.037 -0.032 0.000 0.623 -28 A CB -1.229 17.787 19.000 0.026 0.000 0.818 -28 A HN 0.325 nan 8.150 nan 0.000 0.443 -27 V N -0.105 119.688 119.914 -0.201 0.000 2.548 -27 V HA -0.182 3.938 4.120 0.000 0.000 0.249 -27 V C 2.563 178.640 176.094 -0.028 0.000 1.055 -27 V CA 1.943 64.161 62.300 -0.136 0.000 1.065 -27 V CB -0.825 30.823 31.823 -0.291 0.000 0.681 -27 V HN 0.672 nan 8.190 nan 0.000 0.462 -26 R N 0.346 120.825 120.500 -0.035 0.000 2.094 -26 R HA -0.203 4.137 4.340 0.000 0.000 0.239 -26 R C 2.304 178.537 176.300 -0.111 0.000 1.137 -26 R CA 2.385 58.459 56.100 -0.043 0.000 0.943 -26 R CB -0.562 29.691 30.300 -0.078 0.000 0.850 -26 R HN 0.508 nan 8.270 nan 0.000 0.433 -25 T N 0.433 114.855 114.554 -0.220 0.000 2.821 -25 T HA -0.060 4.290 4.350 0.000 0.000 0.267 -25 T C 1.785 176.421 174.700 -0.106 0.000 1.046 -25 T CA 1.194 63.170 62.100 -0.206 0.000 1.139 -25 T CB -0.240 68.456 68.868 -0.288 0.000 0.871 -25 T HN 0.482 nan 8.240 nan 0.000 0.454 -24 A N 1.031 123.806 122.820 -0.075 0.000 1.873 -24 A HA -0.022 4.298 4.320 0.000 0.000 0.215 -24 A C 2.582 180.156 177.584 -0.018 0.000 1.186 -24 A CA 1.282 53.297 52.037 -0.036 0.000 0.616 -24 A CB -0.986 18.004 19.000 -0.016 0.000 0.823 -24 A HN 0.341 nan 8.150 nan 0.000 0.442 -23 V N 0.182 120.098 119.914 0.003 0.000 2.307 -23 V HA -0.263 3.857 4.120 0.000 0.000 0.245 -23 V C 2.437 178.530 176.094 -0.003 0.000 1.045 -23 V CA 2.031 64.344 62.300 0.022 0.000 1.024 -23 V CB -0.736 31.131 31.823 0.075 0.000 0.651 -23 V HN 0.559 nan 8.190 nan 0.000 0.449 -22 I N 0.590 121.149 120.570 -0.018 0.000 2.127 -22 I HA -0.272 3.898 4.170 0.000 0.000 0.241 -22 I C 2.408 178.500 176.117 -0.040 0.000 1.075 -22 I CA 1.773 63.052 61.300 -0.034 0.000 1.334 -22 I CB -0.558 37.412 38.000 -0.050 0.000 1.040 -22 I HN 0.351 nan 8.210 nan 0.000 0.405 -21 N N 0.947 119.619 118.700 -0.047 0.000 2.149 -21 N HA -0.150 4.590 4.740 0.000 0.000 0.188 -21 N C 1.794 177.282 175.510 -0.036 0.000 1.019 -21 N CA 1.678 54.701 53.050 -0.045 0.000 0.857 -21 N CB -0.455 38.002 38.487 -0.049 0.000 0.997 -21 N HN 0.408 nan 8.380 nan 0.000 0.426 -20 A N 0.628 123.430 122.820 -0.030 0.000 1.897 -20 A HA 0.184 4.504 4.320 0.000 0.000 0.215 -20 A C 2.315 179.881 177.584 -0.029 0.000 1.181 -20 A CA 1.559 53.581 52.037 -0.026 0.000 0.620 -20 A CB -0.759 18.230 19.000 -0.020 0.000 0.821 -20 A HN 0.286 nan 8.150 nan 0.000 0.443 -19 A N 0.361 123.164 122.820 -0.029 0.000 1.933 -19 A HA -0.091 4.229 4.320 0.000 0.000 0.218 -19 A C 2.438 179.998 177.584 -0.040 0.000 1.175 -19 A CA 2.279 54.295 52.037 -0.036 0.000 0.628 -19 A CB -0.798 18.181 19.000 -0.036 0.000 0.814 -19 A HN 1.003 nan 8.150 nan 0.000 0.444 -18 S N -2.136 113.541 115.700 -0.039 0.000 2.527 -18 S HA 0.359 4.829 4.470 0.000 0.000 0.222 -18 S C 1.454 176.032 174.600 -0.037 0.000 0.985 -18 S CA 1.148 59.325 58.200 -0.040 0.000 0.921 -18 S CB -0.225 62.951 63.200 -0.041 0.000 0.772 -18 S HN 1.956 nan 8.310 nan 0.000 0.529 -17 G N 1.527 110.305 108.800 -0.035 0.000 2.143 -17 G HA2 -0.289 3.671 3.960 0.000 0.000 0.249 -17 G HA3 -0.289 3.671 3.960 0.000 0.000 0.249 -17 G C 0.870 175.751 174.900 -0.031 0.000 0.981 -17 G CA 0.352 45.433 45.100 -0.032 0.000 0.665 -17 G HN 0.497 nan 8.290 nan 0.000 0.528 -16 R N -0.411 120.069 120.500 -0.034 0.000 2.096 -16 R HA 0.027 4.368 4.340 0.000 0.000 0.235 -16 R C 1.220 177.500 176.300 -0.033 0.000 1.127 -16 R CA 1.545 57.624 56.100 -0.035 0.000 0.968 -16 R CB 0.007 30.283 30.300 -0.040 0.000 0.861 -16 R HN 0.607 nan 8.270 nan 0.000 0.440 -15 Q N -0.769 119.011 119.800 -0.032 0.000 2.423 -15 Q HA 0.194 4.534 4.340 0.000 0.000 0.278 -15 Q C -0.733 175.253 176.000 -0.024 0.000 1.097 -15 Q CA -0.650 55.136 55.803 -0.028 0.000 0.809 -15 Q CB 2.382 31.102 28.738 -0.029 0.000 1.391 -15 Q HN 0.096 nan 8.270 nan 0.000 0.428 -14 T N -2.367 112.175 114.554 -0.019 0.000 2.802 -14 T HA 0.087 4.437 4.350 0.000 0.000 0.305 -14 T C 1.354 176.046 174.700 -0.014 0.000 1.053 -14 T CA -0.611 61.480 62.100 -0.016 0.000 1.058 -14 T CB 0.485 69.346 68.868 -0.011 0.000 0.988 -14 T HN 0.333 nan 8.240 nan 0.000 0.539 -13 V N 1.515 121.422 119.914 -0.012 0.000 2.252 -13 V HA -0.202 3.918 4.120 0.000 0.000 0.249 -13 V C 2.583 178.673 176.094 -0.007 0.000 1.056 -13 V CA 2.379 64.673 62.300 -0.009 0.000 1.022 -13 V CB -0.946 30.874 31.823 -0.006 0.000 0.641 -13 V HN 0.896 nan 8.190 nan 0.000 0.445 -12 D N -0.300 120.098 120.400 -0.004 0.000 2.116 -12 D HA -0.187 4.453 4.640 0.000 0.000 0.193 -12 D C 2.250 178.548 176.300 -0.004 0.000 0.998 -12 D CA 1.614 55.612 54.000 -0.002 0.000 0.836 -12 D CB -0.225 40.575 40.800 0.000 0.000 0.951 -12 D HN 0.586 nan 8.370 nan 0.000 0.449 -11 E N 0.317 120.513 120.200 -0.007 0.000 2.047 -11 E HA -0.091 4.259 4.350 0.000 0.000 0.191 -11 E C 2.132 178.726 176.600 -0.010 0.000 0.987 -11 E CA 0.991 57.386 56.400 -0.008 0.000 0.799 -11 E CB -0.091 29.602 29.700 -0.013 0.000 0.752 -11 E HN 0.210 nan 8.360 nan 0.000 0.449 -10 A N 1.169 123.981 122.820 -0.013 0.000 1.883 -10 A HA -0.189 4.131 4.320 0.000 0.000 0.217 -10 A C 2.186 179.764 177.584 -0.009 0.000 1.186 -10 A CA 1.285 53.313 52.037 -0.016 0.000 0.624 -10 A CB -0.711 18.278 19.000 -0.019 0.000 0.822 -10 A HN 0.154 nan 8.150 nan 0.000 0.444 -9 L N -1.200 120.021 121.223 -0.004 0.000 2.217 -9 L HA -0.101 4.239 4.340 0.000 0.000 0.211 -9 L C 2.594 179.466 176.870 0.003 0.000 1.107 -9 L CA 0.897 55.738 54.840 0.001 0.000 0.783 -9 L CB -0.379 41.679 42.059 -0.000 0.000 0.919 -9 L HN 0.251 nan 8.230 nan 0.000 0.442 -8 K N 0.526 120.928 120.400 0.003 0.000 2.026 -8 K HA -0.184 4.136 4.320 0.000 0.000 0.208 -8 K C 1.626 178.235 176.600 0.014 0.000 1.048 -8 K CA 1.597 57.889 56.287 0.008 0.000 0.929 -8 K CB -0.284 32.220 32.500 0.007 0.000 0.713 -8 K HN 0.224 nan 8.250 nan 0.000 0.439 -7 D N 0.213 120.620 120.400 0.011 0.000 2.144 -7 D HA -0.117 4.523 4.640 0.000 0.000 0.199 -7 D C 1.678 177.996 176.300 0.029 0.000 0.984 -7 D CA 1.253 55.265 54.000 0.020 0.000 0.834 -7 D CB -0.081 40.724 40.800 0.008 0.000 0.955 -7 D HN 0.243 nan 8.370 nan 0.000 0.465 -6 A N 0.640 123.470 122.820 0.016 0.000 1.902 -6 A HA -0.242 4.078 4.320 0.000 0.000 0.217 -6 A C 2.170 179.775 177.584 0.034 0.000 1.181 -6 A CA 1.937 53.984 52.037 0.018 0.000 0.623 -6 A CB -0.640 18.360 19.000 0.001 0.000 0.818 -6 A HN 0.220 nan 8.150 nan 0.000 0.443 -5 Q N -0.524 119.292 119.800 0.027 0.000 2.046 -5 Q HA -0.120 4.220 4.340 0.000 0.000 0.200 -5 Q C 1.894 177.922 176.000 0.048 0.000 0.975 -5 Q CA 2.397 58.217 55.803 0.028 0.000 0.836 -5 Q CB -0.656 28.090 28.738 0.014 0.000 0.896 -5 Q HN 0.512 nan 8.270 nan 0.000 0.428 -4 T N 0.662 115.245 114.554 0.049 0.000 2.929 -4 T HA -0.130 4.220 4.350 0.000 0.000 0.271 -4 T C 0.697 175.444 174.700 0.079 0.000 1.085 -4 T CA 1.036 63.172 62.100 0.060 0.000 1.125 -4 T CB -0.401 68.499 68.868 0.054 0.000 0.874 -4 T HN 0.645 nan 8.240 nan 0.000 0.494 -3 N N -0.610 118.142 118.700 0.088 0.000 2.776 -3 N HA -0.237 4.503 4.740 0.000 0.000 0.250 -3 N C 0.836 176.422 175.510 0.127 0.000 1.112 -3 N CA 0.770 53.890 53.050 0.116 0.000 0.733 -3 N CB -1.333 37.228 38.487 0.123 0.000 1.097 -3 N HN 0.422 nan 8.380 nan 0.000 0.558 -2 A N -0.391 122.495 122.820 0.110 0.000 1.933 -2 A HA 0.168 4.488 4.320 0.000 0.000 0.218 -2 A C 2.459 180.146 177.584 0.172 0.000 1.175 -2 A CA 2.317 54.426 52.037 0.120 0.000 0.628 -2 A CB -0.990 18.057 19.000 0.078 0.000 0.814 -2 A HN 0.818 nan 8.150 nan 0.000 0.444 -1 A N -0.072 122.857 122.820 0.182 0.000 1.855 -1 A HA 0.173 4.493 4.320 0.000 0.000 0.215 -1 A C 2.550 180.400 177.584 0.442 0.000 1.191 -1 A CA 2.150 54.354 52.037 0.280 0.000 0.613 -1 A CB -1.166 17.947 19.000 0.189 0.000 0.829 -1 A HN 1.080 nan 8.150 nan 0.000 0.442 0 A N -0.151 122.916 122.820 0.411 0.000 1.883 0 A HA -0.211 4.109 4.320 0.000 0.000 0.217 0 A C 1.923 179.568 177.584 0.101 0.000 1.186 0 A CA 1.767 53.885 52.037 0.134 0.000 0.624 0 A CB -0.650 18.391 19.000 0.068 0.000 0.822 0 A HN 0.651 nan 8.150 nan 0.000 0.444 1 E N -1.483 118.801 120.200 0.140 0.000 2.058 1 E HA -0.209 4.141 4.350 0.000 0.000 0.194 1 E C 1.816 178.490 176.600 0.124 0.000 0.997 1 E CA 1.393 57.858 56.400 0.109 0.000 0.801 1 E CB -0.309 29.457 29.700 0.110 0.000 0.746 1 E HN 0.711 nan 8.360 nan 0.000 0.450 2 F N 1.488 121.470 119.950 0.053 0.000 2.102 2 F HA -0.191 4.336 4.527 0.000 0.000 0.298 2 F C 2.316 178.140 175.800 0.039 0.000 1.105 2 F CA 1.448 59.471 58.000 0.037 0.000 1.239 2 F CB -0.223 38.801 39.000 0.040 0.000 0.991 2 F HN -0.055 nan 8.300 nan 0.000 0.474 3 A N 0.155 123.126 122.820 0.251 0.000 1.978 3 A HA -0.126 4.194 4.320 0.000 0.000 0.220 3 A C 2.303 179.892 177.584 0.009 0.000 1.170 3 A CA 1.824 53.947 52.037 0.144 0.000 0.636 3 A CB -1.450 17.599 19.000 0.082 0.000 0.810 3 A HN 0.505 nan 8.150 nan 0.000 0.448 4 A N -0.961 121.852 122.820 -0.013 0.000 1.970 4 A HA 0.187 4.508 4.320 0.000 0.000 0.216 4 A C 2.025 179.595 177.584 -0.023 0.000 1.170 4 A CA 1.343 53.380 52.037 -0.001 0.000 0.645 4 A CB -0.437 18.559 19.000 -0.006 0.000 0.816 4 A HN 0.582 nan 8.150 nan 0.000 0.447 5 L N -0.300 120.847 121.223 -0.126 0.000 1.976 5 L HA -0.105 4.235 4.340 0.000 0.000 0.209 5 L C 2.237 178.971 176.870 -0.225 0.000 1.071 5 L CA 2.257 56.981 54.840 -0.194 0.000 0.746 5 L CB -0.929 40.953 42.059 -0.295 0.000 0.890 5 L HN 0.344 nan 8.230 nan 0.000 0.432 6 L N -0.701 120.312 121.223 -0.350 0.000 2.012 6 L HA -0.262 4.078 4.340 0.000 0.000 0.210 6 L C 2.596 179.415 176.870 -0.086 0.000 1.073 6 L CA 2.378 57.064 54.840 -0.257 0.000 0.748 6 L CB -1.058 40.822 42.059 -0.298 0.000 0.891 6 L HN 0.613 nan 8.230 nan 0.000 0.431 7 H N -0.589 118.418 119.070 -0.105 0.000 2.319 7 H HA -0.148 4.408 4.556 0.000 0.000 0.299 7 H C 2.370 177.665 175.328 -0.054 0.000 1.092 7 H CA 2.064 58.083 56.048 -0.048 0.000 1.302 7 H CB -0.240 29.503 29.762 -0.031 0.000 1.373 7 H HN 0.608 nan 8.280 nan 0.000 0.497 8 S N -0.180 115.458 115.700 -0.104 0.000 2.428 8 S HA -0.077 4.393 4.470 0.000 0.000 0.230 8 S C 2.236 176.748 174.600 -0.146 0.000 1.014 8 S CA 0.976 59.091 58.200 -0.141 0.000 0.957 8 S CB -0.477 62.693 63.200 -0.051 0.000 0.784 8 S HN 0.432 nan 8.310 nan 0.000 0.499 9 L N 0.766 121.909 121.223 -0.133 0.000 2.027 9 L HA -0.015 4.325 4.340 0.000 0.000 0.206 9 L C 2.595 179.388 176.870 -0.129 0.000 1.074 9 L CA 1.256 56.026 54.840 -0.118 0.000 0.745 9 L CB -0.728 41.264 42.059 -0.112 0.000 0.898 9 L HN 0.313 nan 8.230 nan 0.000 0.433 10 L N -0.474 120.658 121.223 -0.153 0.000 2.131 10 L HA -0.204 4.137 4.340 0.000 0.000 0.210 10 L C 2.492 179.250 176.870 -0.187 0.000 1.092 10 L CA 0.961 55.710 54.840 -0.152 0.000 0.759 10 L CB -0.413 41.568 42.059 -0.131 0.000 0.903 10 L HN 0.271 nan 8.230 nan 0.000 0.435 11 E N 0.408 120.448 120.200 -0.266 0.000 2.046 11 E HA -0.159 4.192 4.350 0.000 0.000 0.190 11 E C 2.251 178.771 176.600 -0.133 0.000 0.982 11 E CA 1.296 57.556 56.400 -0.232 0.000 0.800 11 E CB -0.072 29.451 29.700 -0.294 0.000 0.756 11 E HN 0.370 nan 8.360 nan 0.000 0.449 12 A N 0.620 123.368 122.820 -0.119 0.000 1.883 12 A HA -0.265 4.055 4.320 0.000 0.000 0.217 12 A C 2.095 179.636 177.584 -0.071 0.000 1.186 12 A CA 2.023 54.012 52.037 -0.081 0.000 0.624 12 A CB -0.975 17.982 19.000 -0.073 0.000 0.822 12 A HN 0.361 nan 8.150 nan 0.000 0.444 13 N N -1.118 117.534 118.700 -0.080 0.000 2.166 13 N HA -0.158 4.582 4.740 0.000 0.000 0.186 13 N C 1.618 177.091 175.510 -0.062 0.000 1.019 13 N CA 1.654 54.663 53.050 -0.068 0.000 0.856 13 N CB -0.465 37.977 38.487 -0.075 0.000 0.993 13 N HN 0.453 nan 8.380 nan 0.000 0.426 14 c N -0.716 117.841 118.600 -0.071 0.000 2.450 14 c HA 0.158 4.728 4.570 0.000 0.000 0.279 14 c C 2.682 176.752 174.090 -0.033 0.000 1.335 14 c CA 0.611 56.907 56.329 -0.055 0.000 1.749 14 c CB -1.382 41.089 42.510 -0.065 0.000 1.963 14 c HN 0.450 nan 8.230 nan 0.000 0.501 15 S N 0.646 116.323 115.700 -0.038 0.000 2.383 15 S HA -0.046 4.424 4.470 0.000 0.000 0.227 15 S C 1.679 176.268 174.600 -0.019 0.000 1.026 15 S CA 1.114 59.300 58.200 -0.023 0.000 0.981 15 S CB -0.257 62.925 63.200 -0.030 0.000 0.818 15 S HN 0.610 nan 8.310 nan 0.000 0.472 16 L N 1.137 122.344 121.223 -0.028 0.000 2.017 16 L HA -0.138 4.202 4.340 0.000 0.000 0.208 16 L C 2.841 179.701 176.870 -0.018 0.000 1.073 16 L CA 1.238 56.063 54.840 -0.025 0.000 0.745 16 L CB -0.783 41.256 42.059 -0.032 0.000 0.894 16 L HN 0.326 nan 8.230 nan 0.000 0.432 17 A N -0.018 122.790 122.820 -0.020 0.000 1.917 17 A HA -0.279 4.041 4.320 0.000 0.000 0.219 17 A C 2.198 179.783 177.584 0.002 0.000 1.182 17 A CA 2.053 54.083 52.037 -0.012 0.000 0.633 17 A CB -0.775 18.215 19.000 -0.015 0.000 0.819 17 A HN 0.349 nan 8.150 nan 0.000 0.448 18 L N -0.399 120.830 121.223 0.009 0.000 2.017 18 L HA -0.042 4.298 4.340 0.000 0.000 0.208 18 L C 2.749 179.631 176.870 0.021 0.000 1.073 18 L CA 2.207 57.061 54.840 0.022 0.000 0.745 18 L CB -1.007 41.069 42.059 0.029 0.000 0.894 18 L HN 0.370 nan 8.230 nan 0.000 0.432 19 A N -0.571 122.256 122.820 0.012 0.000 1.873 19 A HA -0.306 4.014 4.320 0.000 0.000 0.218 19 A C 2.158 179.753 177.584 0.019 0.000 1.193 19 A CA 2.220 54.264 52.037 0.011 0.000 0.629 19 A CB -0.829 18.166 19.000 -0.009 0.000 0.826 19 A HN 0.628 nan 8.150 nan 0.000 0.447 20 E N -0.703 119.502 120.200 0.008 0.000 2.058 20 E HA -0.194 4.157 4.350 0.000 0.000 0.194 20 E C 2.136 178.746 176.600 0.018 0.000 0.997 20 E CA 1.167 57.572 56.400 0.010 0.000 0.801 20 E CB -0.148 29.550 29.700 -0.003 0.000 0.746 20 E HN 0.522 nan 8.360 nan 0.000 0.450 21 E N 0.774 120.978 120.200 0.006 0.000 2.038 21 E HA -0.186 4.164 4.350 0.000 0.000 0.195 21 E C 2.277 178.886 176.600 0.016 0.000 1.000 21 E CA 0.941 57.332 56.400 -0.015 0.000 0.803 21 E CB -0.319 29.361 29.700 -0.034 0.000 0.750 21 E HN 0.307 nan 8.360 nan 0.000 0.448 22 L N 0.293 121.550 121.223 0.056 0.000 2.046 22 L HA -0.199 4.141 4.340 0.000 0.000 0.208 22 L C 2.637 179.663 176.870 0.259 0.000 1.077 22 L CA 0.628 55.544 54.840 0.125 0.000 0.747 22 L CB -0.504 41.640 42.059 0.142 0.000 0.896 22 L HN 0.145 nan 8.230 nan 0.000 0.432 23 L N -0.082 121.278 121.223 0.228 0.000 1.989 23 L HA -0.220 4.120 4.340 0.000 0.000 0.211 23 L C 2.380 179.442 176.870 0.320 0.000 1.071 23 L CA 1.782 56.805 54.840 0.305 0.000 0.749 23 L CB -0.448 41.669 42.059 0.096 0.000 0.890 23 L HN 0.021 nan 8.230 nan 0.000 0.431 24 L N -0.144 121.170 121.223 0.151 0.000 2.012 24 L HA -0.260 4.080 4.340 0.000 0.000 0.210 24 L C 2.316 179.224 176.870 0.063 0.000 1.073 24 L CA 2.111 57.007 54.840 0.093 0.000 0.748 24 L CB -0.886 41.194 42.059 0.034 0.000 0.891 24 L HN 0.447 nan 8.230 nan 0.000 0.431 25 D N -0.812 119.605 120.400 0.028 0.000 2.106 25 D HA -0.195 4.445 4.640 0.000 0.000 0.191 25 D C 2.129 178.368 176.300 -0.103 0.000 0.997 25 D CA 1.764 55.742 54.000 -0.036 0.000 0.834 25 D CB -0.331 40.436 40.800 -0.055 0.000 0.956 25 D HN 0.258 nan 8.370 nan 0.000 0.448 26 G N -1.381 107.318 108.800 -0.168 0.000 2.411 26 G HA2 -0.117 3.843 3.960 0.000 0.000 0.213 26 G HA3 -0.117 3.843 3.960 0.000 0.000 0.213 26 G C 1.109 175.600 174.900 -0.681 0.000 1.166 26 G CA 0.270 44.945 45.100 -0.709 0.000 0.802 26 G HN 0.365 nan 8.290 nan 0.000 0.533 27 W N 1.188 122.488 121.300 -0.001 0.000 2.870 27 W HA 0.379 5.039 4.660 0.000 0.000 0.358 27 W C 1.089 177.608 176.519 -0.000 0.000 1.043 27 W CA -0.714 56.631 57.345 0.000 0.000 1.692 27 W CB 0.234 29.693 29.460 -0.001 0.000 1.100 27 W HN 0.180 nan 8.180 nan 0.000 0.557 28 G N 1.776 110.673 108.800 0.162 0.000 2.621 28 G HA2 0.351 4.311 3.960 0.000 0.000 0.271 28 G HA3 0.351 4.311 3.960 0.000 0.000 0.271 28 G C -2.462 172.470 174.900 0.053 0.000 1.236 28 G CA -0.670 44.487 45.100 0.096 0.000 0.958 28 G HN -0.270 nan 8.290 nan 0.000 0.512 29 P HA 0.216 nan 4.420 nan 0.000 0.268 29 P C -2.230 175.080 177.300 0.017 0.000 1.205 29 P CA -0.647 62.469 63.100 0.027 0.000 0.771 29 P CB -0.064 31.651 31.700 0.024 0.000 0.858 30 P HA -0.088 nan 4.420 nan 0.000 0.257 30 P C -0.022 177.288 177.300 0.016 0.000 1.153 30 P CA 0.638 63.742 63.100 0.008 0.000 0.762 30 P CB 0.059 31.763 31.700 0.007 0.000 0.743 31 L N 2.350 123.587 121.223 0.022 0.000 2.470 31 L HA 0.145 4.485 4.340 0.000 0.000 0.243 31 L C 1.014 177.910 176.870 0.042 0.000 1.227 31 L CA 0.208 55.071 54.840 0.039 0.000 0.824 31 L CB -0.390 41.705 42.059 0.061 0.000 1.175 31 L HN 0.357 nan 8.230 nan 0.000 0.503 32 D N 0.289 120.721 120.400 0.054 0.000 2.371 32 D HA 0.112 4.752 4.640 0.000 0.000 0.256 32 D C -1.476 174.851 176.300 0.044 0.000 1.193 32 D CA -1.152 52.875 54.000 0.045 0.000 0.881 32 D CB 1.161 41.991 40.800 0.050 0.000 1.143 32 D HN 0.197 nan 8.370 nan 0.000 0.473 33 P HA -0.122 nan 4.420 nan 0.000 0.214 33 P C 0.872 178.177 177.300 0.009 0.000 1.163 33 P CA 1.088 64.195 63.100 0.012 0.000 0.883 33 P CB 0.276 31.976 31.700 -0.000 0.000 0.788 34 E N -0.633 119.571 120.200 0.008 0.000 2.216 34 E HA 0.065 4.415 4.350 0.000 0.000 0.192 34 E C 1.277 177.883 176.600 0.010 0.000 0.988 34 E CA 0.198 56.599 56.400 0.002 0.000 0.834 34 E CB -0.555 29.144 29.700 -0.001 0.000 0.772 34 E HN 0.178 nan 8.360 nan 0.000 0.479 35 G N 2.143 110.960 108.800 0.028 0.000 2.614 35 G HA2 0.161 4.122 3.960 0.000 0.000 0.239 35 G HA3 0.161 4.122 3.960 0.000 0.000 0.239 35 G C -2.212 172.708 174.900 0.034 0.000 1.240 35 G CA -1.032 44.091 45.100 0.039 0.000 0.842 35 G HN -0.015 nan 8.290 nan 0.000 0.584 36 P HA 0.034 nan 4.420 nan 0.000 0.272 36 P C -0.243 176.982 177.300 -0.124 0.000 1.248 36 P CA -0.069 62.974 63.100 -0.096 0.000 0.799 36 P CB 0.537 32.118 31.700 -0.198 0.000 0.997 37 Y N -1.105 118.994 120.300 -0.334 0.000 2.609 37 Y HA 0.279 4.829 4.550 0.000 0.000 0.281 37 Y C 0.421 176.082 175.900 -0.397 0.000 1.132 37 Y CA 0.508 58.444 58.100 -0.274 0.000 1.264 37 Y CB 0.345 38.714 38.460 -0.151 0.000 1.325 37 Y HN 0.146 nan 8.280 nan 0.000 0.514 38 S N 1.143 116.525 115.700 -0.530 0.000 2.433 38 S HA 0.447 4.917 4.470 0.000 0.000 0.310 38 S C -1.635 172.621 174.600 -0.573 0.000 1.097 38 S CA -0.322 57.584 58.200 -0.490 0.000 1.103 38 S CB 0.310 63.372 63.200 -0.231 0.000 0.992 38 S HN 0.187 nan 8.310 nan 0.000 0.469 39 Y N 0.179 120.356 120.300 -0.206 0.000 2.528 39 Y HA 0.431 4.981 4.550 0.000 0.000 0.335 39 Y C 0.436 176.179 175.900 -0.262 0.000 1.093 39 Y CA -1.113 56.864 58.100 -0.206 0.000 1.134 39 Y CB 0.775 39.143 38.460 -0.154 0.000 1.253 39 Y HN 0.466 nan 8.280 nan 0.000 0.478 40 c N 2.274 120.734 118.600 -0.234 0.000 2.514 40 c HA 0.276 4.846 4.570 0.000 0.000 0.392 40 c C 0.267 174.288 174.090 -0.114 0.000 1.294 40 c CA -1.062 54.960 56.329 -0.512 0.000 1.957 40 c CB -1.271 40.282 42.510 -1.596 0.000 2.541 40 c HN 0.777 nan 8.230 nan 0.000 0.569 41 N N 0.975 119.728 118.700 0.090 0.000 2.513 41 N HA 0.240 4.980 4.740 0.000 0.000 0.274 41 N C -0.094 175.673 175.510 0.429 0.000 1.189 41 N CA 0.054 53.231 53.050 0.212 0.000 0.975 41 N CB 0.503 39.077 38.487 0.144 0.000 1.157 41 N HN 0.623 nan 8.380 nan 0.000 0.465 42 T N 1.564 116.284 114.554 0.277 0.000 2.822 42 T HA 0.139 4.490 4.350 0.000 0.000 0.288 42 T C 0.050 174.870 174.700 0.200 0.000 0.991 42 T CA 0.095 62.343 62.100 0.246 0.000 1.176 42 T CB -0.413 68.529 68.868 0.123 0.000 0.951 42 T HN 0.574 nan 8.240 nan 0.000 0.526 43 T N 1.445 116.091 114.554 0.155 0.000 2.883 43 T HA 0.651 5.001 4.350 0.000 0.000 0.296 43 T C -1.043 173.669 174.700 0.020 0.000 1.117 43 T CA -1.024 61.112 62.100 0.060 0.000 1.006 43 T CB 1.572 70.447 68.868 0.012 0.000 1.191 43 T HN 0.344 nan 8.240 nan 0.000 0.508 44 L N 2.623 123.852 121.223 0.009 0.000 2.305 44 L HA 0.572 4.912 4.340 0.000 0.000 0.284 44 L C -0.618 176.275 176.870 0.040 0.000 1.013 44 L CA -0.314 54.523 54.840 -0.005 0.000 0.819 44 L CB 0.972 43.009 42.059 -0.037 0.000 1.227 44 L HN 0.894 nan 8.230 nan 0.000 0.417 45 D N 2.744 123.195 120.400 0.084 0.000 2.433 45 D HA 0.079 4.719 4.640 0.000 0.000 0.255 45 D C 0.552 176.896 176.300 0.072 0.000 1.226 45 D CA -0.312 53.747 54.000 0.099 0.000 1.015 45 D CB 0.478 41.401 40.800 0.206 0.000 1.091 45 D HN 0.572 nan 8.370 nan 0.000 0.527 46 Q N -0.003 119.828 119.800 0.052 0.000 2.482 46 Q HA -0.041 4.299 4.340 0.000 0.000 0.209 46 Q C 1.160 177.186 176.000 0.043 0.000 0.961 46 Q CA 0.601 56.441 55.803 0.061 0.000 0.945 46 Q CB -0.151 28.611 28.738 0.041 0.000 1.012 46 Q HN 0.516 nan 8.270 nan 0.000 0.515 47 I N -0.068 120.439 120.570 -0.104 0.000 3.228 47 I HA 0.193 4.364 4.170 0.000 0.000 0.279 47 I C 1.408 177.486 176.117 -0.065 0.000 1.221 47 I CA 1.057 62.151 61.300 -0.343 0.000 1.458 47 I CB -0.687 36.815 38.000 -0.830 0.000 1.105 47 I HN 0.377 nan 8.210 nan 0.000 0.445 48 G N 1.127 109.932 108.800 0.008 0.000 2.163 48 G HA2 -0.198 3.762 3.960 0.000 0.000 0.213 48 G HA3 -0.198 3.762 3.960 0.000 0.000 0.213 48 G C 0.335 175.186 174.900 -0.081 0.000 0.991 48 G CA 0.112 45.224 45.100 0.021 0.000 0.653 48 G HN 0.309 nan 8.290 nan 0.000 0.518 49 T N 0.699 115.168 114.554 -0.141 0.000 2.832 49 T HA 0.418 4.768 4.350 0.000 0.000 0.296 49 T C 0.365 174.790 174.700 -0.459 0.000 0.968 49 T CA 0.269 62.151 62.100 -0.364 0.000 1.107 49 T CB 1.763 70.307 68.868 -0.540 0.000 0.916 49 T HN 0.629 nan 8.240 nan 0.000 0.517 50 c N 6.351 124.682 118.600 -0.449 0.000 2.225 50 c HA 0.472 5.042 4.570 0.000 0.000 0.328 50 c C -0.357 173.474 174.090 -0.432 0.000 1.187 50 c CA -1.334 54.798 56.329 -0.328 0.000 1.665 50 c CB -1.614 40.788 42.510 -0.181 0.000 2.253 50 c HN 0.916 nan 8.230 nan 0.000 0.497 51 W N 8.586 129.759 121.300 -0.212 0.000 2.388 51 W HA 0.331 4.991 4.660 0.000 0.000 0.308 51 W C -1.702 174.807 176.519 -0.016 0.000 1.263 51 W CA -2.140 55.053 57.345 -0.253 0.000 1.286 51 W CB 0.325 29.309 29.460 -0.792 0.000 1.294 51 W HN 0.583 nan 8.180 nan 0.000 0.493 52 P HA 0.091 nan 4.420 nan 0.000 0.274 52 P C -0.290 177.222 177.300 0.354 0.000 1.256 52 P CA -0.614 62.620 63.100 0.224 0.000 0.795 52 P CB 0.714 32.494 31.700 0.133 0.000 1.038 53 R N 0.730 121.346 120.500 0.194 0.000 2.538 53 R HA 0.233 4.573 4.340 0.000 0.000 0.282 53 R C -0.415 175.947 176.300 0.103 0.000 1.009 53 R CA 0.864 57.036 56.100 0.119 0.000 1.063 53 R CB -0.203 30.052 30.300 -0.075 0.000 0.945 53 R HN 0.480 nan 8.270 nan 0.000 0.414 54 S N 1.832 117.599 115.700 0.112 0.000 2.546 54 S HA 0.521 4.991 4.470 0.000 0.000 0.274 54 S C -1.079 173.613 174.600 0.154 0.000 1.121 54 S CA -0.755 57.514 58.200 0.114 0.000 0.887 54 S CB 2.031 65.279 63.200 0.080 0.000 1.094 54 S HN 0.786 nan 8.310 nan 0.000 0.474 55 A N 1.590 124.515 122.820 0.176 0.000 2.425 55 A HA 0.661 4.981 4.320 0.000 0.000 0.249 55 A C 0.634 178.137 177.584 -0.133 0.000 1.084 55 A CA -0.143 51.907 52.037 0.022 0.000 0.781 55 A CB -0.258 18.754 19.000 0.020 0.000 1.019 55 A HN 1.276 nan 8.150 nan 0.000 0.490 56 A N 1.277 123.966 122.820 -0.219 0.000 2.566 56 A HA 0.456 4.776 4.320 0.000 0.000 0.245 56 A C 1.606 179.106 177.584 -0.140 0.000 1.056 56 A CA 0.947 52.863 52.037 -0.202 0.000 0.757 56 A CB -0.851 18.031 19.000 -0.197 0.000 0.979 56 A HN 2.755 nan 8.150 nan 0.000 0.508 57 G N 0.771 109.495 108.800 -0.128 0.000 2.176 57 G HA2 0.185 4.145 3.960 0.000 0.000 0.232 57 G HA3 0.185 4.145 3.960 0.000 0.000 0.232 57 G C 0.481 175.347 174.900 -0.056 0.000 0.986 57 G CA 0.308 45.359 45.100 -0.082 0.000 0.643 57 G HN 2.203 nan 8.290 nan 0.000 0.522 58 A N 0.051 122.835 122.820 -0.060 0.000 2.331 58 A HA 0.766 5.086 4.320 0.000 0.000 0.283 58 A C -0.008 177.589 177.584 0.022 0.000 1.142 58 A CA -0.225 51.808 52.037 -0.008 0.000 0.812 58 A CB 1.076 20.084 19.000 0.014 0.000 1.074 58 A HN 1.353 nan 8.150 nan 0.000 0.497 59 L N 4.222 125.480 121.223 0.058 0.000 2.255 59 L HA 0.496 4.837 4.340 0.000 0.000 0.289 59 L C -0.548 176.425 176.870 0.171 0.000 1.046 59 L CA 0.095 54.996 54.840 0.101 0.000 0.816 59 L CB 0.974 43.082 42.059 0.083 0.000 1.197 59 L HN 0.414 nan 8.230 nan 0.000 0.427 60 V N 4.792 124.841 119.914 0.226 0.000 2.427 60 V HA 0.438 4.558 4.120 0.000 0.000 0.286 60 V C -0.052 176.248 176.094 0.344 0.000 1.034 60 V CA -0.778 61.706 62.300 0.308 0.000 0.893 60 V CB 1.341 33.448 31.823 0.473 0.000 0.982 60 V HN 0.741 nan 8.190 nan 0.000 0.452 61 E N 4.951 125.278 120.200 0.212 0.000 2.204 61 E HA 0.712 5.062 4.350 0.000 0.000 0.276 61 E C -0.959 175.599 176.600 -0.069 0.000 0.974 61 E CA -1.016 55.374 56.400 -0.016 0.000 0.815 61 E CB 1.871 31.497 29.700 -0.123 0.000 1.119 61 E HN 0.396 nan 8.360 nan 0.000 0.393 62 R N 1.868 122.203 120.500 -0.275 0.000 2.744 62 R HA 0.453 4.793 4.340 0.000 0.000 0.279 62 R C -2.742 173.350 176.300 -0.346 0.000 0.977 62 R CA -2.766 53.098 56.100 -0.394 0.000 0.906 62 R CB 1.021 30.849 30.300 -0.787 0.000 1.197 62 R HN 0.388 nan 8.270 nan 0.000 0.463 63 P HA 0.135 nan 4.420 nan 0.000 0.271 63 P C -0.135 177.062 177.300 -0.172 0.000 1.218 63 P CA -0.368 62.628 63.100 -0.173 0.000 0.780 63 P CB 0.455 32.088 31.700 -0.111 0.000 0.901 64 c N 4.742 123.278 118.600 -0.107 0.000 2.679 64 c HA 0.141 4.711 4.570 0.000 0.000 0.417 64 c C -1.470 172.599 174.090 -0.035 0.000 1.302 64 c CA -0.492 55.800 56.329 -0.061 0.000 1.973 64 c CB -1.033 41.472 42.510 -0.008 0.000 2.715 64 c HN 0.545 nan 8.230 nan 0.000 0.628 65 P HA 0.060 nan 4.420 nan 0.000 0.271 65 P C 0.270 177.643 177.300 0.122 0.000 1.218 65 P CA 0.314 63.416 63.100 0.002 0.000 0.780 65 P CB 0.576 32.254 31.700 -0.036 0.000 0.901 66 E N 1.210 121.509 120.200 0.164 0.000 2.216 66 E HA -0.108 4.242 4.350 0.000 0.000 0.192 66 E C -0.396 176.417 176.600 0.356 0.000 0.988 66 E CA 0.515 57.048 56.400 0.221 0.000 0.834 66 E CB 0.133 29.929 29.700 0.160 0.000 0.772 66 E HN 0.512 nan 8.360 nan 0.000 0.479 67 Y N -0.600 119.842 120.300 0.237 0.000 2.433 67 Y HA 0.405 4.955 4.550 0.000 0.000 0.337 67 Y C -1.946 174.184 175.900 0.384 0.000 1.026 67 Y CA -1.217 57.051 58.100 0.281 0.000 1.037 67 Y CB 1.349 39.928 38.460 0.199 0.000 1.245 67 Y HN -0.101 nan 8.280 nan 0.000 0.443 68 F N 6.920 126.709 119.950 -0.269 0.000 2.630 68 F HA 0.375 4.902 4.527 0.000 0.000 0.325 68 F C -0.755 174.853 175.800 -0.321 0.000 1.184 68 F CA -0.988 56.892 58.000 -0.199 0.000 1.011 68 F CB 1.029 39.998 39.000 -0.052 0.000 1.268 68 F HN 0.690 nan 8.300 nan 0.000 0.480 69 N N 4.388 122.522 118.700 -0.944 0.000 2.688 69 N HA -0.172 4.568 4.740 0.000 0.000 0.258 69 N C 0.953 176.178 175.510 -0.475 0.000 1.016 69 N CA 1.637 54.277 53.050 -0.684 0.000 0.747 69 N CB -0.929 37.053 38.487 -0.841 0.000 0.895 69 N HN 1.536 nan 8.380 nan 0.000 0.543 70 G N -2.425 106.029 108.800 -0.576 0.000 2.180 70 G HA2 -0.300 3.660 3.960 0.000 0.000 0.263 70 G HA3 -0.300 3.660 3.960 0.000 0.000 0.263 70 G C 0.018 174.758 174.900 -0.267 0.000 0.989 70 G CA 0.595 45.551 45.100 -0.240 0.000 0.692 70 G HN 0.607 nan 8.290 nan 0.000 0.526 71 V N 0.366 120.015 119.914 -0.440 0.000 2.588 71 V HA 0.501 4.621 4.120 0.000 0.000 0.304 71 V C 0.225 176.152 176.094 -0.279 0.000 1.042 71 V CA -1.074 61.041 62.300 -0.308 0.000 0.877 71 V CB 1.963 33.598 31.823 -0.314 0.000 0.996 71 V HN 0.281 nan 8.190 nan 0.000 0.425 72 K N 3.637 123.912 120.400 -0.208 0.000 2.130 72 K HA 0.636 4.956 4.320 0.000 0.000 0.268 72 K C -1.505 174.952 176.600 -0.237 0.000 0.983 72 K CA -0.449 55.807 56.287 -0.052 0.000 0.893 72 K CB 1.576 34.102 32.500 0.044 0.000 1.066 72 K HN 0.525 nan 8.250 nan 0.000 0.450 73 Y N 0.160 120.498 120.300 0.064 0.000 2.630 73 Y HA 0.162 4.712 4.550 0.000 0.000 0.337 73 Y C 0.302 176.231 175.900 0.049 0.000 1.051 73 Y CA -1.158 56.975 58.100 0.054 0.000 1.121 73 Y CB 1.154 39.649 38.460 0.059 0.000 1.299 73 Y HN 0.529 nan 8.280 nan 0.000 0.498 74 N N 0.475 119.304 118.700 0.215 0.000 2.415 74 N HA 0.039 4.779 4.740 0.000 0.000 0.250 74 N C 0.597 176.175 175.510 0.112 0.000 1.127 74 N CA 0.118 53.244 53.050 0.128 0.000 0.945 74 N CB 0.630 39.176 38.487 0.100 0.000 1.196 74 N HN 0.731 nan 8.380 nan 0.000 0.499 75 T N -0.980 113.626 114.554 0.086 0.000 3.051 75 T HA -0.149 4.201 4.350 0.000 0.000 0.269 75 T C 1.502 176.214 174.700 0.021 0.000 1.127 75 T CA 1.364 63.493 62.100 0.049 0.000 1.107 75 T CB -0.641 68.251 68.868 0.040 0.000 0.898 75 T HN 0.537 nan 8.240 nan 0.000 0.517 76 T N -0.799 113.773 114.554 0.031 0.000 3.160 76 T HA 0.170 4.520 4.350 0.000 0.000 0.257 76 T C 0.918 175.631 174.700 0.022 0.000 1.147 76 T CA -0.288 61.825 62.100 0.021 0.000 1.064 76 T CB -0.069 68.815 68.868 0.027 0.000 0.949 76 T HN 0.179 nan 8.240 nan 0.000 0.526 77 R N 1.731 122.248 120.500 0.027 0.000 2.643 77 R HA 0.516 4.856 4.340 0.000 0.000 0.272 77 R C -0.320 175.960 176.300 -0.033 0.000 0.995 77 R CA -0.628 55.490 56.100 0.030 0.000 1.032 77 R CB 0.726 31.065 30.300 0.065 0.000 1.126 77 R HN 0.291 nan 8.270 nan 0.000 0.505 78 N N -0.244 118.410 118.700 -0.077 0.000 2.384 78 N HA 0.466 5.206 4.740 0.000 0.000 0.301 78 N C -0.859 174.396 175.510 -0.425 0.000 1.133 78 N CA -0.442 52.424 53.050 -0.307 0.000 0.853 78 N CB 2.215 40.405 38.487 -0.495 0.000 1.241 78 N HN 0.555 nan 8.380 nan 0.000 0.502 79 A N 1.024 123.539 122.820 -0.509 0.000 2.294 79 A HA 0.729 5.049 4.320 0.000 0.000 0.330 79 A C -1.457 175.824 177.584 -0.505 0.000 1.133 79 A CA -0.341 51.412 52.037 -0.474 0.000 0.836 79 A CB 0.503 19.128 19.000 -0.625 0.000 1.190 79 A HN 0.638 nan 8.150 nan 0.000 0.492 80 Y N -0.356 119.941 120.300 -0.004 0.000 2.406 80 Y HA 0.694 5.244 4.550 0.000 0.000 0.340 80 Y C 0.174 175.955 175.900 -0.199 0.000 0.975 80 Y CA -0.454 57.656 58.100 0.017 0.000 1.056 80 Y CB 2.169 40.614 38.460 -0.026 0.000 1.210 80 Y HN 0.817 nan 8.280 nan 0.000 0.448 81 R N 1.893 122.251 120.500 -0.235 0.000 2.584 81 R HA 0.345 4.685 4.340 0.000 0.000 0.276 81 R C -1.571 174.658 176.300 -0.118 0.000 1.046 81 R CA -0.669 55.132 56.100 -0.499 0.000 0.906 81 R CB 1.958 31.326 30.300 -1.554 0.000 1.215 81 R HN 0.839 nan 8.270 nan 0.000 0.449 82 E N 2.978 123.164 120.200 -0.025 0.000 2.227 82 E HA 0.155 4.505 4.350 0.000 0.000 0.282 82 E C -1.163 175.483 176.600 0.077 0.000 1.015 82 E CA -0.492 55.932 56.400 0.040 0.000 0.823 82 E CB 1.349 31.046 29.700 -0.006 0.000 1.081 82 E HN 0.539 nan 8.360 nan 0.000 0.396 83 c N 7.213 125.758 118.600 -0.091 0.000 2.281 83 c HA 0.381 4.952 4.570 0.000 0.000 0.336 83 c C 0.250 174.202 174.090 -0.230 0.000 1.217 83 c CA -0.695 55.395 56.329 -0.398 0.000 1.730 83 c CB -1.464 40.660 42.510 -0.643 0.000 2.338 83 c HN 0.665 nan 8.230 nan 0.000 0.521 84 L N 5.635 126.743 121.223 -0.191 0.000 2.473 84 L HA 0.188 4.528 4.340 0.000 0.000 0.268 84 L C 1.619 178.406 176.870 -0.138 0.000 1.215 84 L CA 0.135 54.899 54.840 -0.125 0.000 0.823 84 L CB 0.460 42.467 42.059 -0.088 0.000 1.099 84 L HN 0.693 nan 8.230 nan 0.000 0.483 85 E N 0.739 120.878 120.200 -0.101 0.000 2.331 85 E HA -0.213 4.137 4.350 0.000 0.000 0.199 85 E C 0.966 177.506 176.600 -0.100 0.000 1.008 85 E CA 1.325 57.668 56.400 -0.096 0.000 0.843 85 E CB -0.190 29.468 29.700 -0.070 0.000 0.761 85 E HN 0.667 nan 8.360 nan 0.000 0.507 86 N N -0.501 118.141 118.700 -0.098 0.000 2.336 86 N HA 0.059 4.800 4.740 0.000 0.000 0.189 86 N C 1.009 176.450 175.510 -0.114 0.000 1.113 86 N CA 0.593 53.590 53.050 -0.089 0.000 0.858 86 N CB 0.728 39.176 38.487 -0.066 0.000 0.970 86 N HN 0.108 nan 8.380 nan 0.000 0.471 87 G N -0.639 108.064 108.800 -0.163 0.000 2.136 87 G HA2 -0.278 3.682 3.960 0.000 0.000 0.242 87 G HA3 -0.278 3.682 3.960 0.000 0.000 0.242 87 G C 0.055 174.820 174.900 -0.226 0.000 0.989 87 G CA 0.613 45.589 45.100 -0.207 0.000 0.682 87 G HN 0.838 nan 8.290 nan 0.000 0.522 88 T N -2.607 111.828 114.554 -0.199 0.000 2.888 88 T HA 0.582 4.932 4.350 0.000 0.000 0.284 88 T C 0.149 174.733 174.700 -0.193 0.000 1.017 88 T CA -0.814 61.190 62.100 -0.161 0.000 1.022 88 T CB 1.589 70.424 68.868 -0.055 0.000 1.013 88 T HN 0.365 nan 8.240 nan 0.000 0.465 89 W N 1.601 122.861 121.300 -0.067 0.000 2.216 89 W HA 0.506 5.167 4.660 0.000 0.000 0.326 89 W C 1.002 177.452 176.519 -0.115 0.000 1.319 89 W CA -0.675 56.601 57.345 -0.114 0.000 1.213 89 W CB 0.399 29.776 29.460 -0.138 0.000 1.171 89 W HN 1.016 nan 8.180 nan 0.000 0.557 90 A N 2.075 124.985 122.820 0.150 0.000 2.520 90 A HA 0.085 4.405 4.320 0.000 0.000 0.235 90 A C 1.428 179.030 177.584 0.030 0.000 1.065 90 A CA 0.530 52.596 52.037 0.048 0.000 0.764 90 A CB 0.241 19.244 19.000 0.005 0.000 1.002 90 A HN 0.815 nan 8.150 nan 0.000 0.502 91 S N 1.323 117.030 115.700 0.011 0.000 2.436 91 S HA -0.003 4.467 4.470 0.000 0.000 0.228 91 S C 0.829 175.416 174.600 -0.021 0.000 1.014 91 S CA 1.008 59.209 58.200 0.001 0.000 0.950 91 S CB -0.149 63.059 63.200 0.012 0.000 0.784 91 S HN 0.689 nan 8.310 nan 0.000 0.504 92 K N 1.041 121.426 120.400 -0.026 0.000 2.201 92 K HA 0.522 4.843 4.320 0.000 0.000 0.278 92 K C -1.336 175.228 176.600 -0.061 0.000 1.027 92 K CA -0.511 55.760 56.287 -0.027 0.000 0.909 92 K CB 0.611 33.101 32.500 -0.018 0.000 1.062 92 K HN 0.289 nan 8.250 nan 0.000 0.465 93 I N 3.343 123.895 120.570 -0.031 0.000 2.406 93 I HA 0.134 4.304 4.170 0.000 0.000 0.290 93 I C -0.088 176.026 176.117 -0.006 0.000 0.999 93 I CA -0.930 60.325 61.300 -0.075 0.000 1.124 93 I CB 1.552 39.544 38.000 -0.013 0.000 1.289 93 I HN 0.490 nan 8.210 nan 0.000 0.441 94 N N 5.496 124.155 118.700 -0.069 0.000 2.415 94 N HA 0.089 4.829 4.740 0.000 0.000 0.250 94 N C -0.370 175.097 175.510 -0.072 0.000 1.127 94 N CA 0.351 53.403 53.050 0.004 0.000 0.945 94 N CB 0.204 38.730 38.487 0.065 0.000 1.196 94 N HN 0.470 nan 8.380 nan 0.000 0.499 95 Y N 0.587 120.912 120.300 0.042 0.000 2.555 95 Y HA 0.029 4.580 4.550 0.000 0.000 0.259 95 Y C 2.135 178.041 175.900 0.011 0.000 1.179 95 Y CA -0.151 57.946 58.100 -0.005 0.000 1.230 95 Y CB 0.287 38.685 38.460 -0.103 0.000 1.146 95 Y HN 0.577 nan 8.280 nan 0.000 0.526 96 S N -0.686 115.105 115.700 0.152 0.000 2.440 96 S HA -0.205 4.265 4.470 0.000 0.000 0.238 96 S C 1.502 176.172 174.600 0.118 0.000 1.010 96 S CA 1.145 59.414 58.200 0.116 0.000 0.972 96 S CB -0.052 63.196 63.200 0.080 0.000 0.774 96 S HN 0.389 nan 8.310 nan 0.000 0.501 97 Q N 0.042 119.924 119.800 0.137 0.000 2.360 97 Q HA 0.247 4.587 4.340 0.000 0.000 0.202 97 Q C 0.088 176.164 176.000 0.127 0.000 0.915 97 Q CA 0.040 55.924 55.803 0.134 0.000 0.943 97 Q CB -0.253 28.592 28.738 0.178 0.000 1.064 97 Q HN 0.593 nan 8.270 nan 0.000 0.511 98 c N 2.985 121.663 118.600 0.129 0.000 2.289 98 c HA 0.316 4.886 4.570 0.000 0.000 0.340 98 c C 0.686 174.946 174.090 0.283 0.000 1.152 98 c CA -0.812 55.600 56.329 0.138 0.000 1.650 98 c CB -0.923 41.582 42.510 -0.008 0.000 2.203 98 c HN 0.228 nan 8.230 nan 0.000 0.511 99 E N 3.633 124.015 120.200 0.303 0.000 2.214 99 E HA 0.366 4.716 4.350 0.000 0.000 0.274 99 E C -2.575 174.177 176.600 0.252 0.000 0.977 99 E CA -1.678 54.883 56.400 0.268 0.000 0.827 99 E CB 1.339 31.121 29.700 0.137 0.000 1.130 99 E HN 0.369 nan 8.360 nan 0.000 0.394 100 P HA 0.294 nan 4.420 nan 0.000 0.293 100 P C -0.823 176.404 177.300 -0.122 0.000 1.313 100 P CA -0.125 62.788 63.100 -0.311 0.000 0.787 100 P CB 0.598 32.027 31.700 -0.452 0.000 0.910 101 I N 4.285 124.805 120.570 -0.083 0.000 2.378 101 I HA 0.342 4.512 4.170 0.000 0.000 0.291 101 I C -0.294 175.798 176.117 -0.042 0.000 0.992 101 I CA -0.693 60.585 61.300 -0.037 0.000 1.154 101 I CB 0.920 38.922 38.000 0.003 0.000 1.315 101 I HN 0.123 nan 8.210 nan 0.000 0.448 102 L N 0.000 121.202 121.223 -0.036 0.000 2.949 102 L HA 0.000 4.340 4.340 0.000 0.000 0.249 102 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 102 L CB 0.000 42.038 42.059 -0.035 0.000 0.961 102 L HN 0.000 nan 8.230 nan 0.000 0.502