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 1kya_1_A DATA FIRST_RESID 1 DATA SEQUENCE GIGPVADLTI TNAAVSPDGF SRQAVVVNGG TPGPLITGNM GDRFQLNVID DATA SEQUENCE NLTNHTMLKS TSIHWHGFFQ KGTNWADGPA FINQcPISSG HSFLYDFQVP DATA SEQUENCE DQAGTFWYHS HLSTQYcDGL RGPFVVYDPN DPAADLYDVD NDDTVITLVD DATA SEQUENCE WYHVAAKLGP AFPLGADATL INGKGRSPST TTADLSVISV TPGKRYRFRL DATA SEQUENCE VSLScDPNYT FSIDGHNMTI IETDSINTAP LVVDSIQIFA AQRYSFVLEA DATA SEQUENCE NQAVDNYWIR ANPNFGNVGF TGGINSAILR YDGAAAVEPT TTQTTSTAPL DATA SEQUENCE NEVNLHPLVA TAVPGSPVAG GVDLAINMAF NFNGTNFFIN GASFTPPTVP DATA SEQUENCE VLLQIISGAQ NAQDLLPSGS VYSLPSNADI EISFPATAAA PGAPHPFHLH DATA SEQUENCE GHAFAVVRSA GSTVYNYDNP IFRDVVSTGT PAAGDNVTIR FRTDNPGPWF DATA SEQUENCE LHCHIDFHLE AGFAVVFAED IPDVASANPV PQAWSDLcPT YDARDPSDQ 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 1 G C 0.000 174.911 174.900 0.019 0.000 0.946 1 G CA 0.000 45.132 45.100 0.054 0.000 0.502 2 I N 0.139 120.705 120.570 -0.007 0.000 2.291 2 I HA 0.597 4.766 4.170 -0.001 0.000 0.292 2 I C 1.056 177.131 176.117 -0.070 0.000 1.064 2 I CA -0.446 60.833 61.300 -0.036 0.000 1.269 2 I CB 0.381 38.359 38.000 -0.037 0.000 1.418 2 I HN 0.799 nan 8.210 nan 0.000 0.485 3 G N 6.749 115.507 108.800 -0.069 0.000 3.365 3 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.238 3 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.238 3 G C -1.454 173.330 174.900 -0.192 0.000 1.264 3 G CA -0.433 44.599 45.100 -0.113 0.000 0.876 3 G HN 0.617 nan 8.290 nan 0.000 0.610 4 P HA -0.066 nan 4.420 nan 0.000 0.217 4 P C 0.716 177.757 177.300 -0.433 0.000 1.148 4 P CA 1.586 64.284 63.100 -0.669 0.000 0.834 4 P CB -0.098 31.072 31.700 -0.885 0.000 0.783 5 V N -4.048 115.695 119.914 -0.286 0.000 2.384 5 V HA 0.871 4.990 4.120 -0.001 0.000 0.287 5 V C -0.534 175.477 176.094 -0.138 0.000 1.020 5 V CA -1.035 61.142 62.300 -0.205 0.000 0.850 5 V CB 0.918 32.636 31.823 -0.175 0.000 0.987 5 V HN 0.070 nan 8.190 nan 0.000 0.436 6 A N 3.486 126.241 122.820 -0.109 0.000 2.586 6 A HA 0.705 5.024 4.320 -0.001 0.000 0.291 6 A C -1.524 176.044 177.584 -0.028 0.000 1.062 6 A CA -0.728 51.269 52.037 -0.066 0.000 0.666 6 A CB 1.547 20.503 19.000 -0.074 0.000 1.281 6 A HN 0.779 nan 8.150 nan 0.000 0.421 7 D N 0.883 121.283 120.400 0.001 0.000 2.168 7 D HA 0.559 5.198 4.640 -0.001 0.000 0.246 7 D C -0.831 175.507 176.300 0.062 0.000 1.050 7 D CA 0.142 54.166 54.000 0.040 0.000 0.857 7 D CB 1.648 42.473 40.800 0.041 0.000 1.169 7 D HN 0.399 nan 8.370 nan 0.000 0.453 8 L N 2.091 123.378 121.223 0.108 0.000 2.384 8 L HA 0.228 4.567 4.340 -0.001 0.000 0.261 8 L C -0.041 176.925 176.870 0.159 0.000 1.024 8 L CA -0.525 54.395 54.840 0.134 0.000 0.899 8 L CB 1.267 43.423 42.059 0.162 0.000 1.243 8 L HN 0.098 nan 8.230 nan 0.000 0.449 9 T N 4.010 118.644 114.554 0.133 0.000 2.723 9 T HA 0.390 4.739 4.350 -0.001 0.000 0.297 9 T C 0.309 175.096 174.700 0.144 0.000 0.925 9 T CA -0.250 61.928 62.100 0.130 0.000 1.030 9 T CB 0.588 69.516 68.868 0.099 0.000 0.905 9 T HN 0.153 nan 8.240 nan 0.000 0.502 10 I N 4.959 125.624 120.570 0.158 0.000 2.342 10 I HA 0.428 4.598 4.170 -0.001 0.000 0.291 10 I C 0.990 177.190 176.117 0.139 0.000 1.010 10 I CA -0.479 60.919 61.300 0.163 0.000 1.308 10 I CB 0.329 38.440 38.000 0.184 0.000 1.400 10 I HN 0.707 nan 8.210 nan 0.000 0.488 11 T N 2.693 117.327 114.554 0.132 0.000 2.754 11 T HA 0.514 4.863 4.350 -0.001 0.000 0.296 11 T C -0.547 174.224 174.700 0.118 0.000 1.205 11 T CA -1.012 61.157 62.100 0.115 0.000 1.009 11 T CB 1.743 70.669 68.868 0.097 0.000 1.368 11 T HN 0.470 nan 8.240 nan 0.000 0.509 12 N N -0.405 118.359 118.700 0.105 0.000 2.456 12 N HA 0.760 5.500 4.740 -0.001 0.000 0.296 12 N C -1.013 174.554 175.510 0.095 0.000 1.102 12 N CA -0.699 52.415 53.050 0.107 0.000 0.924 12 N CB 1.793 40.338 38.487 0.097 0.000 1.186 12 N HN 1.058 nan 8.380 nan 0.000 0.492 13 A N 0.401 123.282 122.820 0.101 0.000 2.594 13 A HA 0.707 5.027 4.320 -0.001 0.000 0.296 13 A C -1.345 176.292 177.584 0.088 0.000 1.056 13 A CA -0.754 51.333 52.037 0.083 0.000 0.693 13 A CB 0.604 19.650 19.000 0.077 0.000 1.278 13 A HN 0.683 nan 8.150 nan 0.000 0.408 14 A N 0.374 123.231 122.820 0.062 0.000 2.388 14 A HA 0.659 4.979 4.320 -0.001 0.000 0.257 14 A C 0.006 177.623 177.584 0.054 0.000 1.095 14 A CA 0.048 52.115 52.037 0.050 0.000 0.791 14 A CB 0.538 19.546 19.000 0.013 0.000 1.029 14 A HN 2.197 nan 8.150 nan 0.000 0.489 15 V N 1.516 121.475 119.914 0.075 0.000 3.188 15 V HA 0.759 4.878 4.120 -0.001 0.000 0.305 15 V C -0.373 175.759 176.094 0.064 0.000 1.232 15 V CA 0.309 62.644 62.300 0.059 0.000 1.043 15 V CB 2.820 34.681 31.823 0.063 0.000 1.068 15 V HN 1.583 nan 8.190 nan 0.000 0.439 16 S N 2.519 118.228 115.700 0.016 0.000 2.606 16 S HA 0.382 4.852 4.470 -0.001 0.000 0.156 16 S C -1.874 172.722 174.600 -0.006 0.000 1.308 16 S CA -0.268 57.955 58.200 0.039 0.000 1.228 16 S CB 1.031 64.236 63.200 0.009 0.000 1.568 16 S HN 0.695 nan 8.310 nan 0.000 0.397 17 P HA -0.097 nan 4.420 nan 0.000 0.221 17 P C 0.425 177.692 177.300 -0.055 0.000 1.145 17 P CA 1.491 64.486 63.100 -0.175 0.000 0.795 17 P CB -0.038 31.396 31.700 -0.443 0.000 0.775 18 D N -2.493 117.943 120.400 0.060 0.000 2.479 18 D HA 0.166 4.806 4.640 -0.001 0.000 0.218 18 D C 1.329 177.731 176.300 0.171 0.000 1.177 18 D CA 0.214 54.300 54.000 0.144 0.000 0.830 18 D CB -0.081 40.879 40.800 0.267 0.000 1.014 18 D HN 0.247 nan 8.370 nan 0.000 0.503 19 G N 0.344 109.226 108.800 0.136 0.000 2.232 19 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.226 19 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.226 19 G C -0.209 174.781 174.900 0.150 0.000 0.996 19 G CA -0.063 45.110 45.100 0.121 0.000 0.626 19 G HN 0.360 nan 8.290 nan 0.000 0.509 20 F N 3.011 122.967 119.950 0.010 0.000 2.405 20 F HA 0.736 5.262 4.527 -0.001 0.000 0.355 20 F C 0.567 176.356 175.800 -0.019 0.000 1.121 20 F CA -0.611 57.326 58.000 -0.105 0.000 1.112 20 F CB 1.689 40.391 39.000 -0.498 0.000 1.126 20 F HN 0.104 nan 8.300 nan 0.000 0.481 21 S N 6.153 121.474 115.700 -0.633 0.000 2.528 21 S HA 0.643 5.113 4.470 -0.001 0.000 0.277 21 S C -0.550 173.707 174.600 -0.572 0.000 1.297 21 S CA -0.445 57.494 58.200 -0.435 0.000 1.052 21 S CB 0.015 63.030 63.200 -0.309 0.000 0.917 21 S HN 0.827 nan 8.310 nan 0.000 0.492 22 R N 2.985 123.399 120.500 -0.144 0.000 2.629 22 R HA 0.410 4.750 4.340 -0.001 0.000 0.266 22 R C -1.492 174.878 176.300 0.116 0.000 1.051 22 R CA -0.865 55.230 56.100 -0.008 0.000 0.895 22 R CB 0.351 30.757 30.300 0.177 0.000 1.246 22 R HN 0.403 nan 8.270 nan 0.000 0.459 23 Q N 1.017 120.874 119.800 0.096 0.000 2.392 23 Q HA 0.623 4.962 4.340 -0.001 0.000 0.262 23 Q C -0.395 175.712 176.000 0.180 0.000 1.003 23 Q CA 0.561 56.434 55.803 0.117 0.000 0.888 23 Q CB 1.616 30.404 28.738 0.084 0.000 1.260 23 Q HN 0.833 nan 8.270 nan 0.000 0.435 24 A N 1.205 124.145 122.820 0.200 0.000 2.557 24 A HA 0.584 4.904 4.320 -0.001 0.000 0.292 24 A C -1.340 176.370 177.584 0.211 0.000 1.139 24 A CA -0.636 51.556 52.037 0.258 0.000 0.665 24 A CB 1.032 20.307 19.000 0.458 0.000 1.285 24 A HN 0.338 nan 8.150 nan 0.000 0.433 25 V N 0.660 120.712 119.914 0.231 0.000 2.383 25 V HA 0.528 4.647 4.120 -0.001 0.000 0.275 25 V C -0.258 175.960 176.094 0.205 0.000 1.036 25 V CA -0.329 62.089 62.300 0.197 0.000 0.889 25 V CB 0.923 32.863 31.823 0.194 0.000 0.985 25 V HN 0.658 nan 8.190 nan 0.000 0.459 26 V N 5.629 125.646 119.914 0.172 0.000 2.715 26 V HA 0.544 4.664 4.120 -0.001 0.000 0.310 26 V C -0.459 175.732 176.094 0.162 0.000 1.054 26 V CA -0.487 61.906 62.300 0.155 0.000 0.928 26 V CB 2.662 34.559 31.823 0.123 0.000 1.007 26 V HN 0.610 nan 8.190 nan 0.000 0.437 27 V N 5.041 125.058 119.914 0.171 0.000 2.357 27 V HA 0.448 4.568 4.120 -0.001 0.000 0.284 27 V C 0.257 176.445 176.094 0.157 0.000 1.018 27 V CA -0.696 61.722 62.300 0.196 0.000 0.841 27 V CB 1.062 33.058 31.823 0.289 0.000 0.991 27 V HN 0.995 nan 8.190 nan 0.000 0.437 28 N N 4.155 122.934 118.700 0.132 0.000 2.708 28 N HA -0.224 4.515 4.740 -0.001 0.000 0.249 28 N C 1.146 176.707 175.510 0.086 0.000 1.097 28 N CA 1.838 54.949 53.050 0.102 0.000 0.710 28 N CB -1.161 37.384 38.487 0.098 0.000 1.032 28 N HN 1.454 nan 8.380 nan 0.000 0.551 29 G N -3.276 105.576 108.800 0.087 0.000 2.254 29 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.225 29 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.225 29 G C 0.304 175.242 174.900 0.063 0.000 1.003 29 G CA 0.333 45.475 45.100 0.069 0.000 0.622 29 G HN 1.025 nan 8.290 nan 0.000 0.507 30 G N -1.191 107.652 108.800 0.072 0.000 2.519 30 G HA2 0.615 4.575 3.960 -0.001 0.000 0.307 30 G HA3 0.615 4.575 3.960 -0.001 0.000 0.307 30 G C 0.551 175.487 174.900 0.060 0.000 1.266 30 G CA 0.982 46.112 45.100 0.049 0.000 0.970 30 G HN 0.284 nan 8.290 nan 0.000 0.481 31 T N 1.521 116.081 114.554 0.010 0.000 2.643 31 T HA 0.032 4.382 4.350 -0.001 0.000 0.256 31 T C -1.584 173.126 174.700 0.017 0.000 1.061 31 T CA 1.034 63.145 62.100 0.019 0.000 1.163 31 T CB -0.622 68.172 68.868 -0.124 0.000 0.865 31 T HN 0.245 nan 8.240 nan 0.000 0.407 32 P HA 0.177 nan 4.420 nan 0.000 0.258 32 P C 0.245 177.565 177.300 0.034 0.000 1.214 32 P CA 0.059 63.145 63.100 -0.023 0.000 0.872 32 P CB -0.161 31.500 31.700 -0.066 0.000 0.890 33 G N 5.950 114.792 108.800 0.070 0.000 2.720 33 G HA2 0.092 4.052 3.960 -0.001 0.000 0.237 33 G HA3 0.092 4.052 3.960 -0.001 0.000 0.237 33 G C -2.341 172.703 174.900 0.240 0.000 1.239 33 G CA -0.726 44.496 45.100 0.204 0.000 0.847 33 G HN 0.278 nan 8.290 nan 0.000 0.593 34 P HA 0.097 nan 4.420 nan 0.000 0.266 34 P C 0.025 177.473 177.300 0.246 0.000 1.195 34 P CA -0.539 62.679 63.100 0.196 0.000 0.768 34 P CB 0.657 32.443 31.700 0.143 0.000 0.838 35 L N 4.750 126.071 121.223 0.163 0.000 2.477 35 L HA 0.172 4.511 4.340 -0.001 0.000 0.272 35 L C -0.571 176.343 176.870 0.073 0.000 1.157 35 L CA 0.453 55.386 54.840 0.156 0.000 0.889 35 L CB -0.738 41.390 42.059 0.114 0.000 1.158 35 L HN 0.235 nan 8.230 nan 0.000 0.473 36 I N 5.290 125.856 120.570 -0.005 0.000 2.353 36 I HA 0.437 4.606 4.170 -0.001 0.000 0.293 36 I C 0.309 176.222 176.117 -0.340 0.000 0.992 36 I CA -0.275 60.839 61.300 -0.310 0.000 1.268 36 I CB 1.474 39.008 38.000 -0.777 0.000 1.387 36 I HN 0.809 nan 8.210 nan 0.000 0.478 37 T N 1.821 116.278 114.554 -0.161 0.000 2.883 37 T HA 0.934 5.284 4.350 -0.001 0.000 0.296 37 T C -0.407 174.405 174.700 0.185 0.000 1.117 37 T CA -0.828 61.298 62.100 0.042 0.000 1.006 37 T CB 2.364 71.362 68.868 0.217 0.000 1.191 37 T HN 0.904 nan 8.240 nan 0.000 0.508 38 G N 0.619 109.615 108.800 0.327 0.000 2.441 38 G HA2 0.494 4.454 3.960 -0.001 0.000 0.294 38 G HA3 0.494 4.454 3.960 -0.001 0.000 0.294 38 G C -2.057 173.055 174.900 0.354 0.000 1.393 38 G CA -0.949 44.323 45.100 0.286 0.000 0.796 38 G HN 0.810 nan 8.290 nan 0.000 0.494 39 N N 0.098 118.929 118.700 0.220 0.000 2.443 39 N HA 0.407 5.147 4.740 -0.001 0.000 0.293 39 N C 0.237 175.873 175.510 0.210 0.000 1.159 39 N CA -0.695 52.490 53.050 0.225 0.000 0.904 39 N CB 1.915 40.484 38.487 0.137 0.000 1.214 39 N HN 0.725 nan 8.380 nan 0.000 0.513 40 M N 0.772 120.491 119.600 0.198 0.000 2.261 40 M HA 0.068 4.548 4.480 -0.001 0.000 0.350 40 M C 0.980 177.352 176.300 0.120 0.000 1.343 40 M CA 1.498 56.900 55.300 0.170 0.000 1.003 40 M CB -0.299 32.388 32.600 0.145 0.000 1.848 40 M HN 0.900 nan 8.290 nan 0.000 0.456 41 G N 3.172 112.041 108.800 0.115 0.000 2.258 41 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.233 41 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.233 41 G C -0.323 174.590 174.900 0.022 0.000 1.006 41 G CA 0.097 45.236 45.100 0.065 0.000 0.620 41 G HN 0.710 nan 8.290 nan 0.000 0.511 42 D N 0.805 121.209 120.400 0.008 0.000 2.472 42 D HA 0.380 5.019 4.640 -0.001 0.000 0.237 42 D C 0.931 177.093 176.300 -0.230 0.000 1.141 42 D CA 0.089 53.980 54.000 -0.183 0.000 0.875 42 D CB 0.524 41.087 40.800 -0.394 0.000 1.192 42 D HN 0.531 nan 8.370 nan 0.000 0.450 43 R N 2.459 122.769 120.500 -0.317 0.000 2.308 43 R HA 0.250 4.590 4.340 -0.001 0.000 0.305 43 R C -1.007 174.951 176.300 -0.569 0.000 1.053 43 R CA -0.372 55.551 56.100 -0.295 0.000 0.957 43 R CB 0.251 30.424 30.300 -0.211 0.000 1.022 43 R HN 0.193 nan 8.270 nan 0.000 0.461 44 F N 2.653 122.196 119.950 -0.679 0.000 2.436 44 F HA 0.292 4.819 4.527 -0.001 0.000 0.340 44 F C 0.196 175.546 175.800 -0.751 0.000 1.113 44 F CA -0.337 57.178 58.000 -0.808 0.000 1.022 44 F CB 2.047 40.302 39.000 -1.240 0.000 1.128 44 F HN 0.394 nan 8.300 nan 0.000 0.466 45 Q N 5.033 124.605 119.800 -0.380 0.000 2.674 45 Q HA 0.406 4.745 4.340 -0.001 0.000 0.249 45 Q C -1.332 174.554 176.000 -0.190 0.000 1.011 45 Q CA -0.303 55.345 55.803 -0.260 0.000 0.734 45 Q CB 1.610 30.229 28.738 -0.199 0.000 1.201 45 Q HN 0.586 nan 8.270 nan 0.000 0.498 46 L N 2.167 123.286 121.223 -0.175 0.000 2.264 46 L HA 0.383 4.723 4.340 -0.001 0.000 0.287 46 L C -0.058 176.875 176.870 0.106 0.000 1.039 46 L CA -0.751 54.049 54.840 -0.067 0.000 0.829 46 L CB 0.555 42.494 42.059 -0.201 0.000 1.211 46 L HN 0.355 nan 8.230 nan 0.000 0.427 47 N N 2.918 121.668 118.700 0.083 0.000 2.420 47 N HA 0.210 4.949 4.740 -0.001 0.000 0.249 47 N C -0.839 174.795 175.510 0.207 0.000 1.033 47 N CA -0.285 52.837 53.050 0.120 0.000 0.944 47 N CB 1.190 39.711 38.487 0.056 0.000 1.113 47 N HN 0.252 nan 8.380 nan 0.000 0.502 48 V N 5.788 125.899 119.914 0.329 0.000 2.368 48 V HA 0.266 4.385 4.120 -0.001 0.000 0.266 48 V C 0.489 176.753 176.094 0.283 0.000 1.045 48 V CA -0.454 62.062 62.300 0.360 0.000 0.899 48 V CB 0.060 32.210 31.823 0.546 0.000 1.006 48 V HN 0.569 nan 8.190 nan 0.000 0.470 49 I N 4.233 124.932 120.570 0.215 0.000 2.291 49 I HA 0.261 4.431 4.170 -0.001 0.000 0.290 49 I C 0.007 176.229 176.117 0.176 0.000 1.050 49 I CA -0.299 61.107 61.300 0.177 0.000 1.245 49 I CB 1.142 39.219 38.000 0.129 0.000 1.405 49 I HN 0.485 nan 8.210 nan 0.000 0.478 50 D N 6.616 127.128 120.400 0.186 0.000 2.393 50 D HA 0.118 4.758 4.640 -0.001 0.000 0.232 50 D C -0.033 176.349 176.300 0.136 0.000 1.192 50 D CA -0.004 54.100 54.000 0.174 0.000 0.882 50 D CB 0.487 41.406 40.800 0.197 0.000 1.038 50 D HN 0.328 nan 8.370 nan 0.000 0.499 51 N N 4.114 122.887 118.700 0.121 0.000 2.467 51 N HA 0.154 4.894 4.740 -0.001 0.000 0.278 51 N C -0.175 175.394 175.510 0.099 0.000 1.306 51 N CA -0.271 52.837 53.050 0.096 0.000 0.905 51 N CB 0.387 38.922 38.487 0.081 0.000 1.236 51 N HN 0.419 nan 8.380 nan 0.000 0.509 52 L N 0.261 121.554 121.223 0.116 0.000 2.452 52 L HA 0.202 4.542 4.340 -0.001 0.000 0.267 52 L C 1.577 178.510 176.870 0.105 0.000 1.188 52 L CA 0.327 55.237 54.840 0.116 0.000 0.821 52 L CB 0.768 42.906 42.059 0.132 0.000 1.102 52 L HN 0.201 nan 8.230 nan 0.000 0.470 53 T N -3.729 110.885 114.554 0.100 0.000 3.041 53 T HA 0.102 4.452 4.350 -0.001 0.000 0.276 53 T C 0.470 175.231 174.700 0.103 0.000 0.948 53 T CA -0.360 61.795 62.100 0.091 0.000 0.885 53 T CB 0.031 68.943 68.868 0.073 0.000 1.175 53 T HN 0.351 nan 8.240 nan 0.000 0.529 54 N N 1.827 120.592 118.700 0.109 0.000 2.500 54 N HA 0.207 4.946 4.740 -0.001 0.000 0.236 54 N C 0.564 176.151 175.510 0.129 0.000 1.022 54 N CA -0.016 53.101 53.050 0.111 0.000 0.935 54 N CB 1.078 39.620 38.487 0.091 0.000 1.147 54 N HN 0.370 nan 8.380 nan 0.000 0.512 55 H N 2.516 121.622 119.070 0.061 0.000 2.387 55 H HA -0.128 4.428 4.556 -0.001 0.000 0.299 55 H C 1.651 177.016 175.328 0.061 0.000 1.099 55 H CA 2.727 58.812 56.048 0.061 0.000 1.315 55 H CB 0.193 29.983 29.762 0.047 0.000 1.380 55 H HN 0.563 nan 8.280 nan 0.000 0.513 56 T N -2.203 112.286 114.554 -0.107 0.000 2.929 56 T HA -0.141 4.208 4.350 -0.001 0.000 0.271 56 T C 1.718 176.351 174.700 -0.111 0.000 1.085 56 T CA 1.541 63.548 62.100 -0.154 0.000 1.125 56 T CB -0.178 68.676 68.868 -0.023 0.000 0.874 56 T HN 0.400 nan 8.240 nan 0.000 0.494 57 M N 0.572 120.144 119.600 -0.046 0.000 2.333 57 M HA 0.433 4.912 4.480 -0.001 0.000 0.257 57 M C -0.514 175.796 176.300 0.016 0.000 1.078 57 M CA -0.130 55.171 55.300 0.001 0.000 1.005 57 M CB 0.343 32.974 32.600 0.052 0.000 1.444 57 M HN 0.115 nan 8.290 nan 0.000 0.496 58 L N 1.285 122.495 121.223 -0.022 0.000 2.443 58 L HA -0.206 4.134 4.340 -0.001 0.000 0.645 58 L C 0.571 177.517 176.870 0.127 0.000 1.007 58 L CA -0.225 54.638 54.840 0.039 0.000 1.350 58 L CB -0.690 41.413 42.059 0.072 0.000 2.011 58 L HN 0.380 nan 8.230 nan 0.000 0.954 59 K N -0.183 120.319 120.400 0.171 0.000 2.442 59 K HA -0.048 4.272 4.320 -0.001 0.000 0.199 59 K C 0.865 177.574 176.600 0.182 0.000 1.044 59 K CA 0.964 57.354 56.287 0.170 0.000 0.941 59 K CB -0.069 32.535 32.500 0.172 0.000 0.759 59 K HN 0.495 nan 8.250 nan 0.000 0.472 60 S N 0.003 115.827 115.700 0.206 0.000 2.672 60 S HA 0.346 4.815 4.470 -0.001 0.000 0.276 60 S C 0.051 174.745 174.600 0.157 0.000 1.207 60 S CA -0.705 57.623 58.200 0.212 0.000 1.002 60 S CB 1.911 65.299 63.200 0.313 0.000 0.998 60 S HN 0.147 nan 8.310 nan 0.000 0.542 61 T N 0.106 114.736 114.554 0.126 0.000 2.802 61 T HA 0.613 4.962 4.350 -0.001 0.000 0.311 61 T C -1.800 172.958 174.700 0.096 0.000 1.405 61 T CA -0.447 61.725 62.100 0.120 0.000 1.016 61 T CB 1.609 70.574 68.868 0.161 0.000 1.352 61 T HN 0.532 nan 8.240 nan 0.000 0.498 62 S N 1.572 117.333 115.700 0.101 0.000 2.543 62 S HA 0.726 5.196 4.470 -0.001 0.000 0.271 62 S C -1.709 172.924 174.600 0.055 0.000 1.148 62 S CA -0.639 57.633 58.200 0.120 0.000 0.914 62 S CB 0.693 63.901 63.200 0.013 0.000 1.096 62 S HN 0.621 nan 8.310 nan 0.000 0.471 63 I N 3.940 124.475 120.570 -0.059 0.000 2.433 63 I HA 0.383 4.553 4.170 -0.001 0.000 0.292 63 I C -0.465 175.091 176.117 -0.935 0.000 1.001 63 I CA -0.752 60.244 61.300 -0.506 0.000 1.119 63 I CB 1.818 39.417 38.000 -0.669 0.000 1.289 63 I HN 0.727 nan 8.210 nan 0.000 0.438 64 H N 5.336 123.835 119.070 -0.953 0.000 2.463 64 H HA 0.405 4.960 4.556 -0.001 0.000 0.332 64 H C -1.674 172.938 175.328 -1.193 0.000 1.127 64 H CA -0.719 54.785 56.048 -0.908 0.000 1.238 64 H CB 0.965 30.503 29.762 -0.374 0.000 1.478 64 H HN 0.387 nan 8.280 nan 0.000 0.499 65 W N 4.821 125.511 121.300 -1.018 0.000 2.309 65 W HA 0.214 4.874 4.660 -0.001 0.000 0.332 65 W C -0.219 175.722 176.519 -0.964 0.000 0.962 65 W CA -0.917 56.005 57.345 -0.705 0.000 1.497 65 W CB -0.182 28.955 29.460 -0.539 0.000 1.308 65 W HN 0.678 nan 8.180 nan 0.000 0.384 66 H N 1.906 120.463 119.070 -0.854 0.000 3.091 66 H HA 0.307 4.863 4.556 -0.000 0.000 0.289 66 H C 1.388 176.550 175.328 -0.276 0.000 0.995 66 H CA 2.057 57.800 56.048 -0.509 0.000 1.461 66 H CB 0.389 29.747 29.762 -0.673 0.000 1.510 66 H HN 0.798 nan 8.280 nan 0.000 0.546 67 G N 3.936 112.698 108.800 -0.064 0.000 2.313 67 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.215 67 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.215 67 G C -0.101 174.584 174.900 -0.358 0.000 1.023 67 G CA -0.112 44.956 45.100 -0.054 0.000 0.626 67 G HN 0.506 nan 8.290 nan 0.000 0.503 68 F N 1.670 121.426 119.950 -0.324 0.000 2.495 68 F HA 0.581 5.107 4.527 -0.001 0.000 0.365 68 F C 1.474 177.050 175.800 -0.374 0.000 1.090 68 F CA -0.593 57.063 58.000 -0.572 0.000 1.235 68 F CB 0.319 38.855 39.000 -0.772 0.000 1.119 68 F HN -0.023 nan 8.300 nan 0.000 0.562 69 F N 0.139 120.053 119.950 -0.060 0.000 2.293 69 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 69 F C 1.472 177.166 175.800 -0.177 0.000 1.086 69 F CA 0.454 58.323 58.000 -0.218 0.000 1.375 69 F CB -0.777 38.099 39.000 -0.207 0.000 1.045 69 F HN 0.403 nan 8.300 nan 0.000 0.516 70 Q N 0.183 120.018 119.800 0.059 0.000 2.481 70 Q HA -0.281 4.059 4.340 -0.001 0.000 0.272 70 Q C 0.323 176.420 176.000 0.162 0.000 1.157 70 Q CA 0.673 56.494 55.803 0.031 0.000 0.935 70 Q CB -1.868 26.917 28.738 0.078 0.000 1.338 70 Q HN 0.510 nan 8.270 nan 0.000 0.494 71 K N 0.213 120.708 120.400 0.158 0.000 2.453 71 K HA 0.152 4.472 4.320 -0.001 0.000 0.280 71 K C 1.267 177.949 176.600 0.137 0.000 1.045 71 K CA 1.270 57.657 56.287 0.167 0.000 1.059 71 K CB -0.090 32.486 32.500 0.126 0.000 0.901 71 K HN 0.437 nan 8.250 nan 0.000 0.475 72 G N 2.646 111.534 108.800 0.146 0.000 2.199 72 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.254 72 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.254 72 G C 0.270 175.227 174.900 0.095 0.000 0.982 72 G CA 0.573 45.743 45.100 0.117 0.000 0.632 72 G HN 0.748 nan 8.290 nan 0.000 0.529 73 T N -2.301 112.244 114.554 -0.014 0.000 3.697 73 T HA 0.422 4.771 4.350 -0.001 0.000 0.260 73 T C 0.756 175.158 174.700 -0.496 0.000 0.998 73 T CA 0.608 62.489 62.100 -0.365 0.000 1.128 73 T CB 0.385 69.013 68.868 -0.401 0.000 1.082 73 T HN 0.191 nan 8.240 nan 0.000 0.541 74 N N 1.531 120.095 118.700 -0.227 0.000 2.272 74 N HA -0.110 4.630 4.740 -0.001 0.000 0.185 74 N C 1.696 177.057 175.510 -0.248 0.000 1.014 74 N CA 1.877 54.763 53.050 -0.273 0.000 0.870 74 N CB -0.237 38.006 38.487 -0.407 0.000 0.975 74 N HN 0.829 nan 8.380 nan 0.000 0.433 75 W N -1.124 120.063 121.300 -0.188 0.000 2.611 75 W HA 0.230 4.890 4.660 -0.001 0.000 0.251 75 W C 0.814 177.454 176.519 0.202 0.000 1.265 75 W CA 0.484 57.703 57.345 -0.210 0.000 1.295 75 W CB -0.586 28.345 29.460 -0.881 0.000 1.129 75 W HN 0.093 nan 8.180 nan 0.000 0.630 76 A N 0.639 123.237 122.820 -0.371 0.000 2.423 76 A HA 0.066 4.386 4.320 -0.001 0.000 0.246 76 A C 1.343 179.117 177.584 0.316 0.000 1.278 76 A CA 0.589 52.661 52.037 0.059 0.000 0.903 76 A CB -0.596 18.101 19.000 -0.504 0.000 0.997 76 A HN 0.112 nan 8.150 nan 0.000 0.510 77 D N -0.595 119.916 120.400 0.185 0.000 2.219 77 D HA 0.121 4.760 4.640 -0.001 0.000 0.205 77 D C 1.667 178.138 176.300 0.285 0.000 0.970 77 D CA 2.217 56.382 54.000 0.275 0.000 0.851 77 D CB 0.103 41.065 40.800 0.269 0.000 0.943 77 D HN 0.526 nan 8.370 nan 0.000 0.488 78 G N -0.920 108.006 108.800 0.210 0.000 2.475 78 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.209 78 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.209 78 G C -1.836 173.009 174.900 -0.091 0.000 1.127 78 G CA -0.213 44.939 45.100 0.086 0.000 0.681 78 G HN 0.295 nan 8.290 nan 0.000 0.517 79 P HA 0.360 nan 4.420 nan 0.000 0.253 79 P C 0.387 177.496 177.300 -0.317 0.000 1.159 79 P CA 1.131 63.868 63.100 -0.606 0.000 0.779 79 P CB 0.428 31.592 31.700 -0.892 0.000 0.745 80 A N 4.665 127.371 122.820 -0.191 0.000 2.524 80 A HA 0.246 4.566 4.320 -0.001 0.000 0.250 80 A C 0.525 177.925 177.584 -0.307 0.000 1.078 80 A CA 0.054 51.850 52.037 -0.401 0.000 0.761 80 A CB -1.088 17.698 19.000 -0.357 0.000 1.012 80 A HN 0.616 nan 8.150 nan 0.000 0.500 81 F N -0.274 119.590 119.950 -0.143 0.000 2.794 81 F HA -0.253 4.273 4.527 -0.001 0.000 0.335 81 F C 0.690 176.417 175.800 -0.121 0.000 0.653 81 F CA 1.090 59.022 58.000 -0.113 0.000 1.266 81 F CB -1.970 36.992 39.000 -0.064 0.000 1.666 81 F HN 0.455 nan 8.300 nan 0.000 0.314 82 I N -0.811 119.676 120.570 -0.138 0.000 3.345 82 I HA 0.108 4.278 4.170 -0.001 0.000 0.258 82 I C 1.478 177.501 176.117 -0.157 0.000 1.134 82 I CA 1.345 62.492 61.300 -0.254 0.000 1.457 82 I CB -0.272 37.331 38.000 -0.660 0.000 1.425 82 I HN 0.027 nan 8.210 nan 0.000 0.461 83 N N -0.221 118.401 118.700 -0.130 0.000 2.171 83 N HA 0.218 4.958 4.740 -0.001 0.000 0.212 83 N C -0.469 175.241 175.510 0.334 0.000 1.184 83 N CA -0.216 52.864 53.050 0.051 0.000 0.888 83 N CB 0.616 39.087 38.487 -0.026 0.000 1.038 83 N HN 0.415 nan 8.380 nan 0.000 0.517 84 Q N -1.853 117.993 119.800 0.076 0.000 2.848 84 Q HA 0.395 4.734 4.340 -0.001 0.000 0.288 84 Q C -1.750 173.978 176.000 -0.452 0.000 0.907 84 Q CA -0.939 54.796 55.803 -0.112 0.000 0.792 84 Q CB 0.349 29.095 28.738 0.014 0.000 1.534 84 Q HN -0.068 nan 8.270 nan 0.000 0.419 85 c N 1.641 119.867 118.600 -0.625 0.000 2.398 85 c HA 0.657 5.227 4.570 -0.001 0.000 0.364 85 c C -2.082 171.552 174.090 -0.760 0.000 1.219 85 c CA -0.973 54.894 56.329 -0.771 0.000 2.312 85 c CB 0.421 42.599 42.510 -0.553 0.000 2.428 85 c HN 0.654 nan 8.230 nan 0.000 0.564 86 P HA 0.183 nan 4.420 nan 0.000 0.270 86 P C -0.595 176.513 177.300 -0.319 0.000 1.223 86 P CA 0.176 62.928 63.100 -0.580 0.000 0.785 86 P CB 0.290 31.623 31.700 -0.612 0.000 0.923 87 I N 0.368 120.867 120.570 -0.117 0.000 2.720 87 I HA 0.101 4.270 4.170 -0.001 0.000 0.287 87 I C 0.707 176.889 176.117 0.109 0.000 1.090 87 I CA 0.222 61.516 61.300 -0.011 0.000 1.384 87 I CB 0.514 38.588 38.000 0.124 0.000 1.420 87 I HN 0.242 nan 8.210 nan 0.000 0.575 88 S N 2.970 118.760 115.700 0.149 0.000 2.565 88 S HA 0.224 4.693 4.470 -0.001 0.000 0.290 88 S C -0.111 174.667 174.600 0.296 0.000 1.150 88 S CA -0.597 57.747 58.200 0.241 0.000 1.058 88 S CB 1.678 65.002 63.200 0.207 0.000 1.032 88 S HN 0.694 nan 8.310 nan 0.000 0.510 89 S N 1.035 116.875 115.700 0.233 0.000 2.563 89 S HA 0.379 4.849 4.470 -0.001 0.000 0.284 89 S C 1.453 176.135 174.600 0.137 0.000 1.331 89 S CA 0.927 59.232 58.200 0.175 0.000 1.047 89 S CB -0.303 62.978 63.200 0.135 0.000 0.859 89 S HN 1.484 nan 8.310 nan 0.000 0.514 90 G N 3.126 111.956 108.800 0.051 0.000 2.179 90 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.260 90 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.260 90 G C 0.122 174.859 174.900 -0.271 0.000 0.977 90 G CA 0.496 45.534 45.100 -0.103 0.000 0.641 90 G HN 0.842 nan 8.290 nan 0.000 0.533 91 H N -0.130 118.993 119.070 0.089 0.000 2.855 91 H HA 0.749 5.305 4.556 -0.001 0.000 0.363 91 H C 0.042 175.447 175.328 0.127 0.000 1.185 91 H CA 0.209 56.315 56.048 0.096 0.000 1.174 91 H CB 2.038 31.854 29.762 0.090 0.000 1.857 91 H HN 0.556 nan 8.280 nan 0.000 0.565 92 S N 0.631 116.501 115.700 0.284 0.000 2.569 92 S HA 0.653 5.122 4.470 -0.001 0.000 0.280 92 S C -1.306 173.486 174.600 0.320 0.000 1.111 92 S CA -0.824 57.531 58.200 0.257 0.000 0.887 92 S CB 2.450 65.757 63.200 0.179 0.000 1.095 92 S HN 0.425 nan 8.310 nan 0.000 0.476 93 F N 1.251 121.274 119.950 0.121 0.000 2.578 93 F HA 0.718 5.245 4.527 -0.001 0.000 0.311 93 F C -1.751 174.082 175.800 0.055 0.000 1.094 93 F CA -1.302 56.730 58.000 0.054 0.000 0.923 93 F CB 1.776 40.775 39.000 -0.001 0.000 1.230 93 F HN 0.720 nan 8.300 nan 0.000 0.450 94 L N 6.474 127.258 121.223 -0.732 0.000 2.272 94 L HA 0.460 4.800 4.340 -0.001 0.000 0.289 94 L C -1.756 174.758 176.870 -0.593 0.000 1.032 94 L CA -0.290 54.269 54.840 -0.468 0.000 0.810 94 L CB 0.375 42.271 42.059 -0.273 0.000 1.205 94 L HN 0.538 nan 8.230 nan 0.000 0.422 95 Y N 3.670 123.934 120.300 -0.059 0.000 2.404 95 Y HA 0.381 4.931 4.550 -0.001 0.000 0.344 95 Y C -0.205 175.655 175.900 -0.067 0.000 0.970 95 Y CA -0.321 57.831 58.100 0.087 0.000 1.180 95 Y CB 0.927 39.550 38.460 0.272 0.000 1.138 95 Y HN 0.557 nan 8.280 nan 0.000 0.510 96 D N 5.581 126.055 120.400 0.123 0.000 2.469 96 D HA 0.349 4.988 4.640 -0.001 0.000 0.251 96 D C -1.347 174.960 176.300 0.011 0.000 1.173 96 D CA -0.408 53.579 54.000 -0.022 0.000 0.882 96 D CB 0.203 41.043 40.800 0.067 0.000 1.129 96 D HN 0.248 nan 8.370 nan 0.000 0.549 97 F N 0.203 120.054 119.950 -0.165 0.000 2.662 97 F HA 0.585 5.112 4.527 -0.001 0.000 0.312 97 F C -0.939 174.784 175.800 -0.127 0.000 1.113 97 F CA -1.024 56.862 58.000 -0.190 0.000 0.951 97 F CB 1.101 39.902 39.000 -0.333 0.000 1.344 97 F HN 0.032 nan 8.300 nan 0.000 0.462 98 Q N 0.883 120.741 119.800 0.098 0.000 2.266 98 Q HA 0.697 5.037 4.340 -0.001 0.000 0.261 98 Q C -1.333 174.744 176.000 0.128 0.000 0.985 98 Q CA -1.312 54.526 55.803 0.058 0.000 0.873 98 Q CB 3.067 31.828 28.738 0.039 0.000 1.306 98 Q HN 0.638 nan 8.270 nan 0.000 0.447 99 V N 3.794 123.776 119.914 0.114 0.000 2.260 99 V HA 0.137 4.257 4.120 -0.001 0.000 0.263 99 V C -2.007 174.154 176.094 0.112 0.000 1.036 99 V CA -1.104 61.243 62.300 0.078 0.000 0.874 99 V CB 0.749 32.547 31.823 -0.042 0.000 1.116 99 V HN 0.604 nan 8.190 nan 0.000 0.454 100 P HA -0.029 nan 4.420 nan 0.000 0.210 100 P C 0.941 178.304 177.300 0.104 0.000 1.191 100 P CA 1.963 65.123 63.100 0.100 0.000 0.917 100 P CB 0.269 32.028 31.700 0.098 0.000 0.778 101 D N -0.160 120.313 120.400 0.122 0.000 2.895 101 D HA 0.183 4.823 4.640 -0.001 0.000 0.258 101 D C 0.224 176.604 176.300 0.132 0.000 1.311 101 D CA -0.147 53.926 54.000 0.123 0.000 0.843 101 D CB -0.473 40.405 40.800 0.129 0.000 1.055 101 D HN 0.222 nan 8.370 nan 0.000 0.486 102 Q N -0.951 118.919 119.800 0.117 0.000 2.372 102 Q HA 0.741 5.081 4.340 -0.001 0.000 0.273 102 Q C -1.437 174.667 176.000 0.173 0.000 1.078 102 Q CA -0.898 54.970 55.803 0.108 0.000 0.806 102 Q CB 2.737 31.483 28.738 0.012 0.000 1.332 102 Q HN 0.552 nan 8.270 nan 0.000 0.435 103 A N 0.841 123.790 122.820 0.215 0.000 2.547 103 A HA 0.845 5.164 4.320 -0.001 0.000 0.298 103 A C -0.604 177.088 177.584 0.181 0.000 1.062 103 A CA 0.245 52.425 52.037 0.239 0.000 0.748 103 A CB 1.385 20.487 19.000 0.169 0.000 1.288 103 A HN 0.916 nan 8.150 nan 0.000 0.396 104 G N -0.101 108.829 108.800 0.217 0.000 2.373 104 G HA2 0.531 4.491 3.960 -0.001 0.000 0.250 104 G HA3 0.531 4.491 3.960 -0.001 0.000 0.250 104 G C -0.679 174.148 174.900 -0.123 0.000 1.304 104 G CA 0.183 45.249 45.100 -0.057 0.000 0.948 104 G HN 1.286 nan 8.290 nan 0.000 0.474 105 T N 1.059 115.352 114.554 -0.436 0.000 2.795 105 T HA 0.751 5.100 4.350 -0.001 0.000 0.282 105 T C -0.768 173.541 174.700 -0.652 0.000 0.980 105 T CA 0.194 62.101 62.100 -0.322 0.000 1.012 105 T CB 0.833 69.558 68.868 -0.239 0.000 0.936 105 T HN 0.424 nan 8.240 nan 0.000 0.457 106 F N 0.658 120.564 119.950 -0.072 0.000 2.980 106 F HA 0.820 5.346 4.527 -0.001 0.000 0.335 106 F C -1.002 174.969 175.800 0.285 0.000 1.210 106 F CA -1.138 56.829 58.000 -0.054 0.000 0.986 106 F CB 1.550 40.274 39.000 -0.460 0.000 1.469 106 F HN 0.633 nan 8.300 nan 0.000 0.519 107 W N 0.390 121.827 121.300 0.229 0.000 3.057 107 W HA 0.546 5.206 4.660 -0.000 0.000 0.328 107 W C -2.615 174.100 176.519 0.326 0.000 1.232 107 W CA -1.824 55.674 57.345 0.254 0.000 1.187 107 W CB 0.092 29.546 29.460 -0.011 0.000 1.417 107 W HN 0.615 nan 8.180 nan 0.000 0.569 108 Y N 0.407 120.863 120.300 0.261 0.000 2.536 108 Y HA 0.834 5.384 4.550 -0.001 0.000 0.347 108 Y C -0.729 175.077 175.900 -0.157 0.000 1.000 108 Y CA -1.301 56.701 58.100 -0.164 0.000 1.051 108 Y CB 1.713 40.190 38.460 0.029 0.000 1.259 108 Y HN 0.742 nan 8.280 nan 0.000 0.468 109 H N -1.449 117.389 119.070 -0.387 0.000 3.043 109 H HA 0.429 4.984 4.556 -0.001 0.000 0.317 109 H C -1.195 174.029 175.328 -0.173 0.000 1.321 109 H CA -0.875 54.985 56.048 -0.314 0.000 1.243 109 H CB 0.673 30.059 29.762 -0.628 0.000 1.924 109 H HN 0.827 nan 8.280 nan 0.000 0.527 110 S N 0.605 116.391 115.700 0.143 0.000 2.558 110 S HA -0.045 4.424 4.470 -0.001 0.000 0.291 110 S C -0.003 174.730 174.600 0.221 0.000 1.306 110 S CA -0.066 58.223 58.200 0.148 0.000 1.056 110 S CB -0.029 63.300 63.200 0.214 0.000 0.836 110 S HN 0.832 nan 8.310 nan 0.000 0.504 111 H N 3.886 122.996 119.070 0.066 0.000 2.528 111 H HA 0.394 4.950 4.556 -0.001 0.000 0.256 111 H C -1.035 174.336 175.328 0.073 0.000 1.204 111 H CA -0.398 55.708 56.048 0.097 0.000 0.955 111 H CB 0.143 29.904 29.762 -0.002 0.000 1.817 111 H HN 0.482 nan 8.280 nan 0.000 0.579 112 L N 0.946 122.274 121.223 0.175 0.000 2.342 112 L HA 0.355 4.694 4.340 -0.001 0.000 0.276 112 L C 0.503 177.446 176.870 0.122 0.000 0.997 112 L CA 0.402 55.328 54.840 0.144 0.000 0.838 112 L CB 1.125 43.240 42.059 0.094 0.000 1.224 112 L HN 0.315 nan 8.230 nan 0.000 0.416 113 S N 3.045 118.827 115.700 0.137 0.000 3.469 113 S HA -0.298 4.171 4.470 -0.001 0.000 0.628 113 S C 1.011 175.589 174.600 -0.038 0.000 2.687 113 S CA 1.831 60.072 58.200 0.069 0.000 3.829 113 S CB -1.456 61.782 63.200 0.063 0.000 0.258 113 S HN 1.480 nan 8.310 nan 0.000 1.222 114 T N 0.105 114.599 114.554 -0.099 0.000 3.163 114 T HA 0.325 4.674 4.350 -0.001 0.000 0.252 114 T C 1.476 176.056 174.700 -0.201 0.000 1.056 114 T CA 1.028 62.965 62.100 -0.271 0.000 0.947 114 T CB 0.143 68.839 68.868 -0.287 0.000 1.016 114 T HN 0.681 nan 8.240 nan 0.000 0.554 115 Q N 1.064 120.837 119.800 -0.045 0.000 2.197 115 Q HA -0.248 4.091 4.340 -0.001 0.000 0.207 115 Q C 1.887 177.959 176.000 0.120 0.000 0.984 115 Q CA 1.888 57.719 55.803 0.045 0.000 0.869 115 Q CB -0.482 28.315 28.738 0.099 0.000 0.906 115 Q HN 0.906 nan 8.270 nan 0.000 0.426 116 Y N -1.474 118.860 120.300 0.057 0.000 2.509 116 Y HA -0.031 4.519 4.550 -0.001 0.000 0.293 116 Y C 1.774 177.750 175.900 0.126 0.000 1.133 116 Y CA 0.478 58.648 58.100 0.117 0.000 1.283 116 Y CB -0.895 37.654 38.460 0.149 0.000 1.001 116 Y HN 0.172 nan 8.280 nan 0.000 0.555 117 c N 0.744 119.243 118.600 -0.167 0.000 2.450 117 c HA -0.093 4.477 4.570 -0.001 0.000 0.279 117 c C 1.875 176.036 174.090 0.118 0.000 1.335 117 c CA 0.880 57.157 56.329 -0.086 0.000 1.749 117 c CB -0.791 41.511 42.510 -0.347 0.000 1.963 117 c HN 0.532 nan 8.230 nan 0.000 0.501 118 D N -0.101 120.357 120.400 0.097 0.000 2.363 118 D HA 0.173 4.813 4.640 -0.001 0.000 0.226 118 D C 1.739 178.251 176.300 0.353 0.000 1.020 118 D CA 1.269 55.355 54.000 0.143 0.000 0.892 118 D CB 0.056 40.912 40.800 0.094 0.000 0.900 118 D HN 0.684 nan 8.370 nan 0.000 0.531 119 G N 0.285 109.346 108.800 0.436 0.000 2.480 119 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.193 119 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.193 119 G C 0.106 175.189 174.900 0.305 0.000 1.004 119 G CA -0.395 44.972 45.100 0.444 0.000 0.696 119 G HN 0.230 nan 8.290 nan 0.000 0.478 120 L N 3.415 124.812 121.223 0.290 0.000 2.415 120 L HA 0.678 5.018 4.340 -0.001 0.000 0.269 120 L C 0.673 177.680 176.870 0.227 0.000 1.244 120 L CA -0.334 54.656 54.840 0.251 0.000 1.113 120 L CB -1.489 40.714 42.059 0.239 0.000 1.352 120 L HN 0.520 nan 8.230 nan 0.000 0.433 121 R N 2.293 122.864 120.500 0.120 0.000 2.604 121 R HA 0.860 5.199 4.340 -0.001 0.000 0.261 121 R C -0.813 175.318 176.300 -0.283 0.000 1.080 121 R CA -0.828 55.259 56.100 -0.023 0.000 0.917 121 R CB 1.108 31.554 30.300 0.242 0.000 1.252 121 R HN 0.410 nan 8.270 nan 0.000 0.456 122 G N 1.482 109.839 108.800 -0.739 0.000 2.646 122 G HA2 0.603 4.563 3.960 -0.001 0.000 0.291 122 G HA3 0.603 4.563 3.960 -0.001 0.000 0.291 122 G C -3.172 171.633 174.900 -0.157 0.000 1.445 122 G CA -1.384 43.389 45.100 -0.546 0.000 0.814 122 G HN 0.406 nan 8.290 nan 0.000 0.495 123 P HA 0.490 nan 4.420 nan 0.000 0.282 123 P C -1.572 176.035 177.300 0.511 0.000 1.249 123 P CA -0.369 62.908 63.100 0.295 0.000 0.806 123 P CB 1.633 33.415 31.700 0.138 0.000 0.984 124 F N 3.175 123.353 119.950 0.379 0.000 2.539 124 F HA 0.393 4.920 4.527 -0.000 0.000 0.328 124 F C -1.333 174.636 175.800 0.282 0.000 1.148 124 F CA -0.997 57.228 58.000 0.375 0.000 0.940 124 F CB 1.459 40.759 39.000 0.500 0.000 1.194 124 F HN -0.012 nan 8.300 nan 0.000 0.438 125 V N 6.256 126.449 119.914 0.464 0.000 2.540 125 V HA 0.542 4.661 4.120 -0.001 0.000 0.302 125 V C -0.932 175.218 176.094 0.093 0.000 1.035 125 V CA -0.886 61.534 62.300 0.200 0.000 0.873 125 V CB 1.907 33.614 31.823 -0.194 0.000 0.992 125 V HN 0.477 nan 8.190 nan 0.000 0.428 126 V N 5.489 125.499 119.914 0.159 0.000 2.326 126 V HA 0.422 4.542 4.120 -0.001 0.000 0.281 126 V C -0.672 175.447 176.094 0.041 0.000 1.015 126 V CA -0.768 61.638 62.300 0.176 0.000 0.823 126 V CB 0.872 32.871 31.823 0.293 0.000 1.009 126 V HN 0.716 nan 8.190 nan 0.000 0.436 127 Y N 1.980 122.417 120.300 0.229 0.000 2.326 127 Y HA 0.376 4.925 4.550 -0.001 0.000 0.333 127 Y C 0.662 176.649 175.900 0.145 0.000 1.240 127 Y CA -0.355 57.842 58.100 0.161 0.000 1.365 127 Y CB 0.546 39.078 38.460 0.120 0.000 1.289 127 Y HN 0.521 nan 8.280 nan 0.000 0.548 128 D N 2.308 122.888 120.400 0.299 0.000 2.414 128 D HA 0.294 4.934 4.640 -0.001 0.000 0.232 128 D C -2.083 174.311 176.300 0.157 0.000 1.070 128 D CA -2.483 51.633 54.000 0.194 0.000 0.839 128 D CB 1.702 42.597 40.800 0.158 0.000 1.079 128 D HN 0.190 nan 8.370 nan 0.000 0.521 129 P HA -0.084 nan 4.420 nan 0.000 0.218 129 P C 0.192 177.521 177.300 0.049 0.000 1.146 129 P CA 0.916 64.059 63.100 0.072 0.000 0.813 129 P CB 0.171 31.903 31.700 0.054 0.000 0.778 130 N N -1.568 117.165 118.700 0.055 0.000 2.598 130 N HA 0.026 4.766 4.740 -0.001 0.000 0.309 130 N C -0.680 174.857 175.510 0.045 0.000 1.645 130 N CA -0.212 52.859 53.050 0.035 0.000 0.936 130 N CB -0.384 38.120 38.487 0.029 0.000 1.323 130 N HN -0.055 nan 8.380 nan 0.000 0.497 131 D N 1.868 122.306 120.400 0.064 0.000 2.487 131 D HA 0.037 4.677 4.640 -0.001 0.000 0.243 131 D C -1.202 175.123 176.300 0.042 0.000 1.154 131 D CA -0.951 53.098 54.000 0.082 0.000 0.876 131 D CB 1.725 42.611 40.800 0.144 0.000 1.161 131 D HN 0.142 nan 8.370 nan 0.000 0.478 132 P HA -0.081 nan 4.420 nan 0.000 0.216 132 P C 0.440 177.748 177.300 0.013 0.000 1.150 132 P CA 1.031 64.147 63.100 0.028 0.000 0.837 132 P CB 0.244 31.968 31.700 0.040 0.000 0.786 133 A N -0.971 121.875 122.820 0.044 0.000 2.370 133 A HA 0.457 4.777 4.320 -0.001 0.000 0.238 133 A C 1.967 179.464 177.584 -0.145 0.000 1.289 133 A CA 0.562 52.621 52.037 0.037 0.000 0.885 133 A CB -0.984 18.114 19.000 0.163 0.000 0.961 133 A HN 0.125 nan 8.150 nan 0.000 0.499 134 A N 0.511 123.198 122.820 -0.221 0.000 1.940 134 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 134 A C 1.546 178.749 177.584 -0.635 0.000 1.176 134 A CA 1.753 53.474 52.037 -0.527 0.000 0.631 134 A CB -0.359 18.501 19.000 -0.233 0.000 0.814 134 A HN 0.434 nan 8.150 nan 0.000 0.446 135 D N -0.289 119.913 120.400 -0.330 0.000 2.378 135 D HA -0.017 4.622 4.640 -0.001 0.000 0.222 135 D C 1.412 177.576 176.300 -0.227 0.000 0.980 135 D CA 0.567 54.422 54.000 -0.242 0.000 0.907 135 D CB -0.078 40.644 40.800 -0.130 0.000 0.899 135 D HN 0.481 nan 8.370 nan 0.000 0.527 136 L N -0.277 120.786 121.223 -0.268 0.000 2.591 136 L HA 0.049 4.388 4.340 -0.001 0.000 0.228 136 L C -0.065 176.801 176.870 -0.006 0.000 1.133 136 L CA 0.014 54.804 54.840 -0.082 0.000 0.880 136 L CB -0.116 41.977 42.059 0.057 0.000 1.033 136 L HN 0.038 nan 8.230 nan 0.000 0.450 137 Y N -5.169 115.094 120.300 -0.062 0.000 2.638 137 Y HA 0.408 4.958 4.550 -0.001 0.000 0.335 137 Y C -0.100 175.705 175.900 -0.157 0.000 1.155 137 Y CA -1.456 56.576 58.100 -0.114 0.000 1.046 137 Y CB 0.499 38.883 38.460 -0.126 0.000 1.303 137 Y HN -0.210 nan 8.280 nan 0.000 0.460 138 D N 0.554 120.932 120.400 -0.035 0.000 2.394 138 D HA 0.161 4.801 4.640 -0.001 0.000 0.226 138 D C -0.306 175.900 176.300 -0.157 0.000 0.990 138 D CA 0.953 54.867 54.000 -0.143 0.000 0.902 138 D CB 1.266 41.928 40.800 -0.231 0.000 1.038 138 D HN 0.261 nan 8.370 nan 0.000 0.499 139 V N 1.221 120.962 119.914 -0.289 0.000 2.604 139 V HA 0.408 4.527 4.120 -0.001 0.000 0.305 139 V C -1.055 174.922 176.094 -0.196 0.000 1.043 139 V CA -0.701 61.433 62.300 -0.278 0.000 0.888 139 V CB 2.306 33.839 31.823 -0.484 0.000 0.995 139 V HN -0.063 nan 8.190 nan 0.000 0.429 140 D N 3.052 123.384 120.400 -0.113 0.000 2.362 140 D HA 0.359 4.998 4.640 -0.001 0.000 0.232 140 D C -0.575 175.692 176.300 -0.056 0.000 1.329 140 D CA -0.274 53.656 54.000 -0.118 0.000 0.944 140 D CB 0.765 41.492 40.800 -0.121 0.000 1.471 140 D HN 0.704 nan 8.370 nan 0.000 0.533 141 N N 0.857 119.556 118.700 -0.002 0.000 3.630 141 N HA 0.336 5.076 4.740 -0.001 0.000 0.345 141 N C 0.289 175.869 175.510 0.116 0.000 1.621 141 N CA -0.485 52.582 53.050 0.029 0.000 0.678 141 N CB 0.093 38.572 38.487 -0.014 0.000 2.628 141 N HN -0.172 nan 8.380 nan 0.000 0.616 142 D N -0.682 119.776 120.400 0.096 0.000 2.219 142 D HA -0.030 4.609 4.640 -0.001 0.000 0.205 142 D C 0.055 176.407 176.300 0.086 0.000 0.970 142 D CA 1.057 55.117 54.000 0.101 0.000 0.851 142 D CB -0.211 40.635 40.800 0.076 0.000 0.943 142 D HN 0.444 nan 8.370 nan 0.000 0.488 143 D N -0.803 119.647 120.400 0.083 0.000 2.339 143 D HA -0.011 4.629 4.640 -0.001 0.000 0.217 143 D C 1.266 177.659 176.300 0.156 0.000 1.050 143 D CA 0.519 54.577 54.000 0.097 0.000 0.856 143 D CB 0.274 41.127 40.800 0.089 0.000 0.922 143 D HN 0.280 nan 8.370 nan 0.000 0.518 144 T N -2.352 112.286 114.554 0.139 0.000 3.129 144 T HA 0.218 4.567 4.350 -0.001 0.000 0.267 144 T C 0.539 175.360 174.700 0.201 0.000 1.018 144 T CA -0.304 61.920 62.100 0.208 0.000 0.903 144 T CB 0.196 68.976 68.868 -0.146 0.000 1.067 144 T HN -0.260 nan 8.240 nan 0.000 0.549 145 V N 2.576 122.557 119.914 0.112 0.000 2.432 145 V HA 0.483 4.603 4.120 -0.001 0.000 0.275 145 V C -0.071 176.031 176.094 0.013 0.000 1.043 145 V CA -0.768 61.558 62.300 0.044 0.000 0.925 145 V CB 1.014 32.865 31.823 0.046 0.000 0.985 145 V HN 0.486 nan 8.190 nan 0.000 0.466 146 I N 4.816 125.353 120.570 -0.055 0.000 2.410 146 I HA 0.396 4.566 4.170 -0.001 0.000 0.286 146 I C 0.179 176.198 176.117 -0.163 0.000 1.009 146 I CA -0.330 60.907 61.300 -0.106 0.000 1.111 146 I CB 2.114 40.021 38.000 -0.155 0.000 1.262 146 I HN 0.672 nan 8.210 nan 0.000 0.443 147 T N 4.962 119.428 114.554 -0.147 0.000 2.859 147 T HA 0.727 5.077 4.350 -0.001 0.000 0.281 147 T C -0.549 174.016 174.700 -0.225 0.000 1.005 147 T CA -0.752 61.230 62.100 -0.198 0.000 1.025 147 T CB 1.626 70.402 68.868 -0.154 0.000 0.977 147 T HN 0.338 nan 8.240 nan 0.000 0.458 148 L N 2.984 124.031 121.223 -0.294 0.000 2.313 148 L HA 0.735 5.075 4.340 -0.001 0.000 0.283 148 L C -0.839 175.877 176.870 -0.255 0.000 1.013 148 L CA -1.194 53.434 54.840 -0.354 0.000 0.816 148 L CB 1.959 43.720 42.059 -0.497 0.000 1.236 148 L HN 0.495 nan 8.230 nan 0.000 0.419 149 V N 1.652 121.458 119.914 -0.180 0.000 2.709 149 V HA 0.264 4.383 4.120 -0.001 0.000 0.308 149 V C -0.912 175.255 176.094 0.121 0.000 1.062 149 V CA -0.828 61.478 62.300 0.010 0.000 0.901 149 V CB 2.436 34.283 31.823 0.041 0.000 1.003 149 V HN 0.756 nan 8.190 nan 0.000 0.425 150 D N 2.977 123.512 120.400 0.226 0.000 2.441 150 D HA 0.049 4.689 4.640 -0.001 0.000 0.221 150 D C -0.452 175.876 176.300 0.047 0.000 1.156 150 D CA -0.362 53.713 54.000 0.126 0.000 0.896 150 D CB 0.818 41.689 40.800 0.119 0.000 1.028 150 D HN 0.614 nan 8.370 nan 0.000 0.509 151 W N 3.759 124.925 121.300 -0.223 0.000 2.338 151 W HA 0.282 4.942 4.660 -0.000 0.000 0.307 151 W C -1.316 175.005 176.519 -0.331 0.000 1.167 151 W CA -0.759 56.503 57.345 -0.138 0.000 1.208 151 W CB 0.910 30.377 29.460 0.012 0.000 1.228 151 W HN 0.263 nan 8.180 nan 0.000 0.499 152 Y N 3.096 123.057 120.300 -0.565 0.000 2.420 152 Y HA 0.179 4.729 4.550 -0.000 0.000 0.334 152 Y C 1.315 176.968 175.900 -0.411 0.000 1.094 152 Y CA -0.546 57.308 58.100 -0.410 0.000 1.126 152 Y CB 1.294 39.598 38.460 -0.260 0.000 1.217 152 Y HN 0.437 nan 8.280 nan 0.000 0.462 153 H N 0.293 119.280 119.070 -0.139 0.000 2.482 153 H HA 0.139 4.694 4.556 -0.001 0.000 0.286 153 H C -0.286 175.083 175.328 0.068 0.000 1.017 153 H CA 0.156 56.178 56.048 -0.043 0.000 1.322 153 H CB 0.529 30.045 29.762 -0.410 0.000 1.426 153 H HN 0.199 nan 8.280 nan 0.000 0.546 154 V N 1.538 121.529 119.914 0.127 0.000 2.472 154 V HA 0.365 4.485 4.120 -0.001 0.000 0.290 154 V C 0.335 176.434 176.094 0.008 0.000 1.037 154 V CA -0.828 61.518 62.300 0.077 0.000 0.908 154 V CB 1.391 33.236 31.823 0.037 0.000 0.985 154 V HN 0.304 nan 8.190 nan 0.000 0.454 155 A N 3.611 126.434 122.820 0.006 0.000 2.507 155 A HA 0.491 4.811 4.320 -0.001 0.000 0.235 155 A C 1.651 179.202 177.584 -0.056 0.000 1.070 155 A CA 0.544 52.565 52.037 -0.026 0.000 0.768 155 A CB 0.049 19.050 19.000 0.002 0.000 1.011 155 A HN 1.406 nan 8.150 nan 0.000 0.502 156 A N 1.407 124.188 122.820 -0.065 0.000 1.873 156 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 156 A C 1.896 179.467 177.584 -0.023 0.000 1.193 156 A CA 2.053 54.066 52.037 -0.040 0.000 0.629 156 A CB -0.474 18.491 19.000 -0.057 0.000 0.826 156 A HN 0.834 nan 8.150 nan 0.000 0.447 157 K N -0.729 119.651 120.400 -0.032 0.000 2.486 157 K HA 0.210 4.530 4.320 -0.001 0.000 0.194 157 K C 1.293 177.869 176.600 -0.039 0.000 1.033 157 K CA 0.416 56.682 56.287 -0.036 0.000 1.004 157 K CB -0.079 32.395 32.500 -0.044 0.000 0.798 157 K HN 0.480 nan 8.250 nan 0.000 0.495 158 L N -0.504 120.697 121.223 -0.036 0.000 2.463 158 L HA 0.117 4.457 4.340 -0.001 0.000 0.219 158 L C 1.475 178.320 176.870 -0.043 0.000 1.088 158 L CA -0.150 54.673 54.840 -0.028 0.000 0.849 158 L CB 0.047 42.102 42.059 -0.006 0.000 1.012 158 L HN 0.104 nan 8.230 nan 0.000 0.468 159 G N 0.048 108.807 108.800 -0.069 0.000 2.531 159 G HA2 0.372 4.332 3.960 -0.001 0.000 0.253 159 G HA3 0.372 4.332 3.960 -0.001 0.000 0.253 159 G C -2.403 172.421 174.900 -0.128 0.000 1.439 159 G CA -0.674 44.370 45.100 -0.093 0.000 1.056 159 G HN -0.058 nan 8.290 nan 0.000 0.555 160 P HA 0.303 nan 4.420 nan 0.000 0.272 160 P C 0.601 177.732 177.300 -0.282 0.000 1.230 160 P CA 0.263 63.255 63.100 -0.180 0.000 0.788 160 P CB 1.058 32.668 31.700 -0.150 0.000 0.949 161 A N 0.992 123.610 122.820 -0.338 0.000 1.969 161 A HA -0.033 4.287 4.320 -0.001 0.000 0.218 161 A C 0.379 177.515 177.584 -0.748 0.000 1.169 161 A CA 1.381 53.082 52.037 -0.561 0.000 0.635 161 A CB -0.781 17.751 19.000 -0.780 0.000 0.810 161 A HN 0.484 nan 8.150 nan 0.000 0.445 162 F N -1.189 118.666 119.950 -0.158 0.000 2.691 162 F HA 0.390 4.917 4.527 -0.001 0.000 0.371 162 F C -1.891 173.725 175.800 -0.306 0.000 1.159 162 F CA -2.707 55.163 58.000 -0.217 0.000 1.174 162 F CB 0.873 39.851 39.000 -0.037 0.000 1.419 162 F HN -0.033 nan 8.300 nan 0.000 0.514 163 P HA -0.256 nan 4.420 nan 0.000 0.219 163 P C 0.774 178.060 177.300 -0.024 0.000 1.158 163 P CA 1.509 64.457 63.100 -0.253 0.000 0.895 163 P CB 0.246 31.691 31.700 -0.425 0.000 0.792 164 L N -3.530 117.718 121.223 0.041 0.000 3.754 164 L HA -0.103 4.237 4.340 -0.001 0.000 0.410 164 L C 0.104 177.181 176.870 0.345 0.000 1.230 164 L CA 1.120 55.952 54.840 -0.013 0.000 0.901 164 L CB -1.691 40.307 42.059 -0.100 0.000 1.982 164 L HN 0.400 nan 8.230 nan 0.000 0.822 165 G N -1.353 107.819 108.800 0.619 0.000 2.521 165 G HA2 0.605 4.565 3.960 -0.001 0.000 0.589 165 G HA3 0.605 4.565 3.960 -0.001 0.000 0.589 165 G C -0.500 174.466 174.900 0.111 0.000 1.501 165 G CA -0.392 44.903 45.100 0.326 0.000 0.887 165 G HN 1.398 nan 8.290 nan 0.000 0.654 166 A N 1.124 123.844 122.820 -0.165 0.000 2.295 166 A HA 0.749 5.068 4.320 -0.001 0.000 0.318 166 A C 1.024 178.389 177.584 -0.365 0.000 1.134 166 A CA 0.009 51.722 52.037 -0.540 0.000 0.827 166 A CB 0.698 19.277 19.000 -0.702 0.000 1.136 166 A HN 0.612 nan 8.150 nan 0.000 0.493 167 D N 0.311 120.444 120.400 -0.445 0.000 2.269 167 D HA 0.220 4.859 4.640 -0.001 0.000 0.208 167 D C 0.575 176.714 176.300 -0.269 0.000 0.963 167 D CA 1.910 55.647 54.000 -0.438 0.000 0.864 167 D CB 0.168 40.410 40.800 -0.930 0.000 0.936 167 D HN 0.744 nan 8.370 nan 0.000 0.505 168 A N -0.463 122.255 122.820 -0.171 0.000 2.594 168 A HA 0.444 4.764 4.320 -0.001 0.000 0.296 168 A C -0.731 176.856 177.584 0.005 0.000 1.056 168 A CA -0.673 51.342 52.037 -0.037 0.000 0.693 168 A CB 1.196 20.243 19.000 0.078 0.000 1.278 168 A HN -0.113 nan 8.150 nan 0.000 0.408 169 T N 2.124 116.675 114.554 -0.006 0.000 2.806 169 T HA 0.532 4.881 4.350 -0.001 0.000 0.290 169 T C -0.557 174.118 174.700 -0.042 0.000 0.966 169 T CA -0.028 62.062 62.100 -0.017 0.000 1.060 169 T CB 0.413 69.249 68.868 -0.053 0.000 0.927 169 T HN 0.373 nan 8.240 nan 0.000 0.485 170 L N 4.232 125.418 121.223 -0.062 0.000 2.287 170 L HA 0.528 4.868 4.340 -0.001 0.000 0.287 170 L C -0.250 176.541 176.870 -0.132 0.000 1.022 170 L CA -0.303 54.487 54.840 -0.083 0.000 0.814 170 L CB 1.028 43.031 42.059 -0.093 0.000 1.217 170 L HN 0.615 nan 8.230 nan 0.000 0.420 171 I N 4.430 124.940 120.570 -0.100 0.000 2.355 171 I HA 0.289 4.459 4.170 -0.001 0.000 0.288 171 I C 0.095 176.169 176.117 -0.072 0.000 0.999 171 I CA -0.699 60.546 61.300 -0.092 0.000 1.163 171 I CB 0.934 38.911 38.000 -0.039 0.000 1.316 171 I HN 0.566 nan 8.210 nan 0.000 0.454 172 N N 5.159 123.809 118.700 -0.084 0.000 2.727 172 N HA -0.200 4.539 4.740 -0.001 0.000 0.249 172 N C 0.898 176.368 175.510 -0.067 0.000 1.048 172 N CA 1.370 54.382 53.050 -0.064 0.000 0.714 172 N CB -0.882 37.581 38.487 -0.040 0.000 0.959 172 N HN 1.142 nan 8.380 nan 0.000 0.544 173 G N -2.005 106.738 108.800 -0.096 0.000 2.234 173 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.260 173 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.260 173 G C 0.126 174.948 174.900 -0.130 0.000 0.987 173 G CA 0.977 46.003 45.100 -0.124 0.000 0.625 173 G HN 0.569 nan 8.290 nan 0.000 0.532 174 K N -0.229 120.120 120.400 -0.085 0.000 2.350 174 K HA 0.740 5.060 4.320 -0.001 0.000 0.241 174 K C 0.232 176.810 176.600 -0.036 0.000 0.994 174 K CA -0.314 55.937 56.287 -0.059 0.000 0.839 174 K CB 2.284 34.767 32.500 -0.028 0.000 1.244 174 K HN 0.921 nan 8.250 nan 0.000 0.443 175 G N 0.549 109.345 108.800 -0.007 0.000 2.315 175 G HA2 0.295 4.254 3.960 -0.001 0.000 0.294 175 G HA3 0.295 4.254 3.960 -0.001 0.000 0.294 175 G C -1.775 173.152 174.900 0.044 0.000 1.300 175 G CA -0.939 44.170 45.100 0.015 0.000 0.843 175 G HN 0.428 nan 8.290 nan 0.000 0.527 176 R N -0.602 119.924 120.500 0.043 0.000 2.807 176 R HA 0.760 5.100 4.340 -0.001 0.000 0.276 176 R C -0.166 176.163 176.300 0.048 0.000 0.979 176 R CA -0.590 55.546 56.100 0.059 0.000 0.928 176 R CB 2.173 32.500 30.300 0.046 0.000 1.191 176 R HN 0.830 nan 8.270 nan 0.000 0.471 177 S N 0.437 116.182 115.700 0.074 0.000 2.621 177 S HA 0.399 4.869 4.470 -0.001 0.000 0.302 177 S C -2.127 172.483 174.600 0.017 0.000 1.093 177 S CA -1.481 56.740 58.200 0.036 0.000 1.017 177 S CB 2.060 65.319 63.200 0.098 0.000 1.077 177 S HN 0.286 nan 8.310 nan 0.000 0.517 178 P HA -0.038 nan 4.420 nan 0.000 0.222 178 P C 0.963 178.267 177.300 0.007 0.000 1.142 178 P CA 1.010 64.097 63.100 -0.021 0.000 0.788 178 P CB 0.101 31.775 31.700 -0.045 0.000 0.767 179 S N -2.562 113.157 115.700 0.032 0.000 2.540 179 S HA 0.094 4.564 4.470 -0.001 0.000 0.218 179 S C 0.540 175.186 174.600 0.077 0.000 0.977 179 S CA 0.123 58.354 58.200 0.052 0.000 0.918 179 S CB -0.276 62.959 63.200 0.058 0.000 0.806 179 S HN -0.015 nan 8.310 nan 0.000 0.496 180 T N 1.471 116.075 114.554 0.085 0.000 3.732 180 T HA 0.130 4.479 4.350 -0.001 0.000 0.234 180 T C 0.887 175.631 174.700 0.074 0.000 1.146 180 T CA -0.057 62.099 62.100 0.093 0.000 1.454 180 T CB 0.489 69.438 68.868 0.135 0.000 0.910 180 T HN 0.403 nan 8.240 nan 0.000 0.640 181 T N -1.520 113.068 114.554 0.057 0.000 3.155 181 T HA -0.081 4.269 4.350 -0.001 0.000 0.264 181 T C 1.841 176.577 174.700 0.061 0.000 1.160 181 T CA 1.139 63.270 62.100 0.051 0.000 1.075 181 T CB -0.457 68.434 68.868 0.039 0.000 0.921 181 T HN 0.512 nan 8.240 nan 0.000 0.533 182 T N -1.556 113.034 114.554 0.060 0.000 3.092 182 T HA 0.635 4.984 4.350 -0.001 0.000 0.258 182 T C 0.773 175.508 174.700 0.057 0.000 1.031 182 T CA -0.082 62.053 62.100 0.057 0.000 0.925 182 T CB -0.134 68.763 68.868 0.047 0.000 1.036 182 T HN 0.513 nan 8.240 nan 0.000 0.544 183 A N 1.748 124.606 122.820 0.063 0.000 2.462 183 A HA 0.408 4.728 4.320 -0.001 0.000 0.243 183 A C -0.040 177.577 177.584 0.054 0.000 1.076 183 A CA -0.446 51.626 52.037 0.059 0.000 0.773 183 A CB -0.122 18.921 19.000 0.071 0.000 1.010 183 A HN 0.461 nan 8.150 nan 0.000 0.493 184 D N 0.962 121.386 120.400 0.041 0.000 2.488 184 D HA 0.318 4.958 4.640 -0.001 0.000 0.238 184 D C 0.168 176.490 176.300 0.038 0.000 1.138 184 D CA 0.731 54.752 54.000 0.035 0.000 0.873 184 D CB 0.382 41.194 40.800 0.020 0.000 1.183 184 D HN 0.389 nan 8.370 nan 0.000 0.458 185 L N 0.966 122.218 121.223 0.048 0.000 2.358 185 L HA 0.333 4.672 4.340 -0.001 0.000 0.268 185 L C 0.771 177.659 176.870 0.031 0.000 1.032 185 L CA -0.883 53.991 54.840 0.056 0.000 0.805 185 L CB 1.248 43.374 42.059 0.112 0.000 1.253 185 L HN 0.184 nan 8.230 nan 0.000 0.452 186 S N 0.395 116.108 115.700 0.023 0.000 2.580 186 S HA 0.420 4.890 4.470 -0.001 0.000 0.274 186 S C -0.323 174.280 174.600 0.004 0.000 1.329 186 S CA -0.560 57.643 58.200 0.005 0.000 1.036 186 S CB 1.422 64.617 63.200 -0.008 0.000 0.919 186 S HN 0.277 nan 8.310 nan 0.000 0.515 187 V N 4.024 123.933 119.914 -0.007 0.000 2.487 187 V HA 0.470 4.590 4.120 -0.001 0.000 0.298 187 V C -0.469 175.609 176.094 -0.027 0.000 1.028 187 V CA -0.532 61.757 62.300 -0.018 0.000 0.860 187 V CB 1.462 33.275 31.823 -0.017 0.000 0.991 187 V HN 0.741 nan 8.190 nan 0.000 0.427 188 I N 3.358 123.897 120.570 -0.051 0.000 2.355 188 I HA 0.399 4.569 4.170 -0.001 0.000 0.288 188 I C 0.196 176.263 176.117 -0.084 0.000 0.999 188 I CA -0.050 61.210 61.300 -0.068 0.000 1.163 188 I CB 1.868 39.778 38.000 -0.150 0.000 1.316 188 I HN 0.527 nan 8.210 nan 0.000 0.454 189 S N 5.643 121.306 115.700 -0.062 0.000 2.554 189 S HA 0.656 5.126 4.470 -0.001 0.000 0.278 189 S C -0.246 174.224 174.600 -0.218 0.000 1.242 189 S CA -0.667 57.480 58.200 -0.090 0.000 1.051 189 S CB 1.779 64.963 63.200 -0.027 0.000 0.986 189 S HN 0.475 nan 8.310 nan 0.000 0.502 190 V N 0.031 119.761 119.914 -0.306 0.000 2.925 190 V HA 0.895 5.015 4.120 -0.001 0.000 0.311 190 V C -0.235 175.726 176.094 -0.221 0.000 1.104 190 V CA -0.974 61.006 62.300 -0.533 0.000 0.954 190 V CB 1.486 32.830 31.823 -0.798 0.000 1.022 190 V HN 0.854 nan 8.190 nan 0.000 0.427 191 T N 0.994 115.591 114.554 0.072 0.000 2.824 191 T HA 0.721 5.071 4.350 -0.001 0.000 0.280 191 T C -2.774 171.978 174.700 0.087 0.000 0.995 191 T CA -2.318 59.832 62.100 0.082 0.000 1.009 191 T CB 1.531 70.476 68.868 0.128 0.000 0.955 191 T HN 0.680 nan 8.240 nan 0.000 0.452 192 P HA 0.198 nan 4.420 nan 0.000 0.263 192 P C 1.230 178.612 177.300 0.136 0.000 1.175 192 P CA 1.498 64.712 63.100 0.191 0.000 0.761 192 P CB 0.077 31.906 31.700 0.215 0.000 0.794 193 G N 1.671 110.557 108.800 0.143 0.000 2.212 193 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.266 193 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.266 193 G C 0.145 175.086 174.900 0.068 0.000 0.978 193 G CA 0.065 45.222 45.100 0.096 0.000 0.632 193 G HN 0.543 nan 8.290 nan 0.000 0.537 194 K N 0.360 120.812 120.400 0.087 0.000 2.118 194 K HA 0.581 4.900 4.320 -0.001 0.000 0.267 194 K C 0.383 176.988 176.600 0.008 0.000 0.991 194 K CA -0.646 55.628 56.287 -0.021 0.000 0.916 194 K CB 0.992 33.412 32.500 -0.134 0.000 1.041 194 K HN 0.215 nan 8.250 nan 0.000 0.455 195 R N 1.858 122.263 120.500 -0.158 0.000 2.407 195 R HA 0.337 4.677 4.340 -0.001 0.000 0.303 195 R C -1.100 175.011 176.300 -0.314 0.000 0.981 195 R CA -0.618 55.455 56.100 -0.044 0.000 0.905 195 R CB 0.805 31.115 30.300 0.016 0.000 1.099 195 R HN 0.448 nan 8.270 nan 0.000 0.459 196 Y N 0.626 120.814 120.300 -0.187 0.000 2.409 196 Y HA 0.340 4.889 4.550 -0.001 0.000 0.343 196 Y C 0.139 175.638 175.900 -0.669 0.000 0.973 196 Y CA -1.051 56.738 58.100 -0.518 0.000 1.064 196 Y CB 1.733 39.594 38.460 -0.999 0.000 1.207 196 Y HN 0.350 nan 8.280 nan 0.000 0.452 197 R N 3.693 123.804 120.500 -0.648 0.000 2.296 197 R HA 0.375 4.715 4.340 -0.001 0.000 0.327 197 R C -1.644 174.239 176.300 -0.695 0.000 1.137 197 R CA -0.314 55.334 56.100 -0.754 0.000 1.020 197 R CB -0.219 29.322 30.300 -1.265 0.000 1.110 197 R HN 0.468 nan 8.270 nan 0.000 0.499 198 F N 2.986 122.598 119.950 -0.564 0.000 2.427 198 F HA 0.332 4.858 4.527 -0.001 0.000 0.352 198 F C 0.742 176.150 175.800 -0.653 0.000 1.100 198 F CA -0.418 57.176 58.000 -0.675 0.000 1.191 198 F CB 1.198 39.556 39.000 -1.069 0.000 1.128 198 F HN 0.281 nan 8.300 nan 0.000 0.533 199 R N 3.676 124.060 120.500 -0.192 0.000 2.278 199 R HA 0.366 4.705 4.340 -0.001 0.000 0.322 199 R C -1.207 174.996 176.300 -0.162 0.000 1.058 199 R CA -0.896 55.099 56.100 -0.174 0.000 0.991 199 R CB 0.863 31.091 30.300 -0.118 0.000 1.140 199 R HN 0.411 nan 8.270 nan 0.000 0.518 200 L N 4.533 125.655 121.223 -0.168 0.000 2.278 200 L HA 0.285 4.625 4.340 -0.001 0.000 0.287 200 L C -0.818 175.913 176.870 -0.231 0.000 1.072 200 L CA -0.156 54.558 54.840 -0.210 0.000 0.819 200 L CB 1.312 43.263 42.059 -0.181 0.000 1.176 200 L HN 0.265 nan 8.230 nan 0.000 0.435 201 V N 3.470 123.208 119.914 -0.293 0.000 2.588 201 V HA 0.484 4.604 4.120 -0.001 0.000 0.304 201 V C -0.047 175.749 176.094 -0.497 0.000 1.042 201 V CA -0.705 61.354 62.300 -0.401 0.000 0.877 201 V CB 1.556 33.148 31.823 -0.386 0.000 0.996 201 V HN 0.759 nan 8.190 nan 0.000 0.425 202 S N 4.458 119.798 115.700 -0.601 0.000 2.422 202 S HA 0.558 5.028 4.470 -0.001 0.000 0.298 202 S C 0.256 174.220 174.600 -1.061 0.000 1.118 202 S CA -0.587 57.270 58.200 -0.572 0.000 1.083 202 S CB 0.346 63.339 63.200 -0.345 0.000 0.971 202 S HN 0.641 nan 8.310 nan 0.000 0.478 203 L N 3.977 124.674 121.223 -0.876 0.000 2.872 203 L HA 0.317 4.657 4.340 -0.001 0.000 0.245 203 L C 1.097 177.762 176.870 -0.341 0.000 1.211 203 L CA -0.369 53.789 54.840 -1.136 0.000 1.013 203 L CB -0.033 41.702 42.059 -0.540 0.000 1.326 203 L HN 0.570 nan 8.230 nan 0.000 0.525 204 S N -1.021 114.563 115.700 -0.194 0.000 2.579 204 S HA 0.017 4.486 4.470 -0.001 0.000 0.275 204 S C 1.062 175.842 174.600 0.301 0.000 1.345 204 S CA -0.428 57.845 58.200 0.122 0.000 1.031 204 S CB 1.199 64.472 63.200 0.122 0.000 0.892 204 S HN 0.384 nan 8.310 nan 0.000 0.529 205 c N 2.535 121.303 118.600 0.280 0.000 2.735 205 c HA 0.312 4.882 4.570 -0.001 0.000 0.271 205 c C 1.527 175.679 174.090 0.104 0.000 1.281 205 c CA 0.249 56.629 56.329 0.084 0.000 1.719 205 c CB -0.729 41.630 42.510 -0.251 0.000 2.024 205 c HN 1.006 nan 8.230 nan 0.000 0.566 206 D N -1.496 119.029 120.400 0.209 0.000 2.410 206 D HA 0.131 4.771 4.640 -0.001 0.000 0.218 206 D C -2.401 173.936 176.300 0.061 0.000 1.359 206 D CA 0.335 54.475 54.000 0.234 0.000 1.348 206 D CB -0.730 40.390 40.800 0.533 0.000 1.797 206 D HN 0.021 nan 8.370 nan 0.000 0.409 207 P HA 0.148 nan 4.420 nan 0.000 0.266 207 P C -0.426 176.504 177.300 -0.617 0.000 1.195 207 P CA 0.260 62.968 63.100 -0.654 0.000 0.768 207 P CB 0.262 31.363 31.700 -0.998 0.000 0.838 208 N N 2.125 120.479 118.700 -0.576 0.000 2.472 208 N HA 0.287 5.026 4.740 -0.001 0.000 0.289 208 N C -1.168 173.909 175.510 -0.720 0.000 1.156 208 N CA -0.486 52.236 53.050 -0.546 0.000 0.940 208 N CB 1.152 39.295 38.487 -0.574 0.000 1.200 208 N HN 0.237 nan 8.380 nan 0.000 0.511 209 Y N -0.732 119.404 120.300 -0.275 0.000 2.446 209 Y HA 0.285 4.835 4.550 -0.000 0.000 0.345 209 Y C 0.011 175.823 175.900 -0.146 0.000 0.984 209 Y CA -0.777 57.216 58.100 -0.177 0.000 1.058 209 Y CB 2.338 40.740 38.460 -0.096 0.000 1.220 209 Y HN 0.406 nan 8.280 nan 0.000 0.455 210 T N 4.370 118.971 114.554 0.078 0.000 2.811 210 T HA 0.252 4.601 4.350 -0.001 0.000 0.309 210 T C -1.028 173.741 174.700 0.114 0.000 1.005 210 T CA -0.298 61.826 62.100 0.040 0.000 0.955 210 T CB -0.587 68.282 68.868 0.002 0.000 0.970 210 T HN 0.371 nan 8.240 nan 0.000 0.496 211 F N 3.978 123.895 119.950 -0.055 0.000 2.408 211 F HA 0.600 5.126 4.527 -0.001 0.000 0.344 211 F C 0.415 176.136 175.800 -0.130 0.000 1.112 211 F CA -0.268 57.683 58.000 -0.081 0.000 1.096 211 F CB 0.799 39.740 39.000 -0.098 0.000 1.129 211 F HN 0.549 nan 8.300 nan 0.000 0.486 212 S N 5.715 120.965 115.700 -0.750 0.000 2.596 212 S HA 0.728 5.198 4.470 -0.001 0.000 0.270 212 S C -1.322 172.878 174.600 -0.666 0.000 1.155 212 S CA -0.955 56.916 58.200 -0.549 0.000 0.827 212 S CB 1.563 64.596 63.200 -0.279 0.000 1.130 212 S HN 0.561 nan 8.310 nan 0.000 0.467 213 I N 1.696 122.028 120.570 -0.398 0.000 2.468 213 I HA 0.306 4.475 4.170 -0.001 0.000 0.285 213 I C -1.130 174.951 176.117 -0.059 0.000 1.039 213 I CA -0.683 60.459 61.300 -0.263 0.000 1.074 213 I CB 1.763 39.609 38.000 -0.255 0.000 1.228 213 I HN 0.612 nan 8.210 nan 0.000 0.436 214 D N 5.179 125.594 120.400 0.026 0.000 2.533 214 D HA 0.126 4.766 4.640 -0.001 0.000 0.236 214 D C 1.290 177.753 176.300 0.272 0.000 1.137 214 D CA 1.475 55.559 54.000 0.140 0.000 0.867 214 D CB 0.776 41.703 40.800 0.211 0.000 1.170 214 D HN 0.932 nan 8.370 nan 0.000 0.474 215 G N 1.750 110.623 108.800 0.122 0.000 2.189 215 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.267 215 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.267 215 G C 0.043 174.760 174.900 -0.306 0.000 0.975 215 G CA 0.619 45.695 45.100 -0.039 0.000 0.644 215 G HN 0.683 nan 8.290 nan 0.000 0.537 216 H N -0.379 118.619 119.070 -0.119 0.000 2.690 216 H HA 0.643 5.198 4.556 -0.001 0.000 0.368 216 H C 0.154 175.439 175.328 -0.072 0.000 1.150 216 H CA -0.832 55.160 56.048 -0.095 0.000 1.174 216 H CB 1.117 30.820 29.762 -0.098 0.000 1.684 216 H HN 0.132 nan 8.280 nan 0.000 0.538 217 N N 1.103 119.843 118.700 0.067 0.000 2.478 217 N HA 0.511 5.250 4.740 -0.001 0.000 0.275 217 N C -0.839 174.699 175.510 0.047 0.000 1.221 217 N CA -0.410 52.654 53.050 0.024 0.000 0.979 217 N CB 1.173 39.673 38.487 0.022 0.000 1.202 217 N HN 0.478 nan 8.380 nan 0.000 0.564 218 M N 0.427 120.026 119.600 -0.002 0.000 2.271 218 M HA 0.222 4.702 4.480 -0.001 0.000 0.285 218 M C -1.061 175.289 176.300 0.083 0.000 1.059 218 M CA -0.568 54.745 55.300 0.023 0.000 0.940 218 M CB 2.172 34.555 32.600 -0.362 0.000 1.636 218 M HN 0.148 nan 8.290 nan 0.000 0.460 219 T N 4.124 118.795 114.554 0.194 0.000 2.832 219 T HA 0.501 4.850 4.350 -0.001 0.000 0.313 219 T C 0.227 175.046 174.700 0.198 0.000 1.035 219 T CA -0.386 61.809 62.100 0.158 0.000 0.950 219 T CB -0.036 68.921 68.868 0.147 0.000 0.984 219 T HN 0.467 nan 8.240 nan 0.000 0.486 220 I N 4.632 125.290 120.570 0.147 0.000 2.598 220 I HA 0.126 4.296 4.170 -0.001 0.000 0.284 220 I C 1.347 177.555 176.117 0.152 0.000 1.140 220 I CA 0.310 61.708 61.300 0.164 0.000 1.420 220 I CB 0.590 38.639 38.000 0.082 0.000 1.387 220 I HN 0.711 nan 8.210 nan 0.000 0.553 221 I N 1.936 122.599 120.570 0.155 0.000 4.338 221 I HA 0.457 4.627 4.170 -0.001 0.000 0.329 221 I C 0.184 176.364 176.117 0.105 0.000 1.378 221 I CA -0.048 61.329 61.300 0.128 0.000 1.170 221 I CB 0.536 38.618 38.000 0.136 0.000 1.206 221 I HN 0.554 nan 8.210 nan 0.000 0.432 222 E N 1.800 122.069 120.200 0.115 0.000 2.354 222 E HA 0.322 4.672 4.350 -0.001 0.000 0.283 222 E C -1.418 175.223 176.600 0.067 0.000 0.938 222 E CA -0.363 56.070 56.400 0.055 0.000 0.777 222 E CB 2.464 32.154 29.700 -0.017 0.000 1.222 222 E HN 0.151 nan 8.360 nan 0.000 0.423 223 T N 2.235 116.768 114.554 -0.034 0.000 2.949 223 T HA 0.327 4.677 4.350 -0.001 0.000 0.300 223 T C -0.680 173.842 174.700 -0.297 0.000 0.988 223 T CA -0.345 61.634 62.100 -0.202 0.000 0.993 223 T CB 0.745 69.599 68.868 -0.024 0.000 0.984 223 T HN 0.509 nan 8.240 nan 0.000 0.442 224 D N 3.090 123.225 120.400 -0.443 0.000 2.686 224 D HA -0.168 4.472 4.640 -0.001 0.000 0.235 224 D C 0.841 176.888 176.300 -0.421 0.000 1.160 224 D CA 1.753 55.506 54.000 -0.412 0.000 0.645 224 D CB -1.576 39.028 40.800 -0.327 0.000 1.039 224 D HN 0.896 nan 8.370 nan 0.000 0.423 225 S N -3.056 112.353 115.700 -0.486 0.000 2.857 225 S HA -0.266 4.204 4.470 -0.001 0.000 0.268 225 S C 0.365 174.822 174.600 -0.239 0.000 1.297 225 S CA 0.726 58.612 58.200 -0.522 0.000 1.280 225 S CB -0.827 61.870 63.200 -0.839 0.000 1.562 225 S HN 0.461 nan 8.310 nan 0.000 0.661 226 I N 3.234 123.713 120.570 -0.153 0.000 2.321 226 I HA 0.322 4.491 4.170 -0.001 0.000 0.291 226 I C 0.281 176.391 176.117 -0.013 0.000 0.998 226 I CA -0.679 60.592 61.300 -0.049 0.000 1.227 226 I CB 0.736 38.741 38.000 0.008 0.000 1.368 226 I HN 0.065 nan 8.210 nan 0.000 0.466 227 N N 4.649 123.356 118.700 0.011 0.000 2.412 227 N HA 0.079 4.819 4.740 -0.001 0.000 0.258 227 N C -0.360 175.188 175.510 0.063 0.000 1.236 227 N CA 0.385 53.459 53.050 0.040 0.000 0.882 227 N CB 0.407 38.923 38.487 0.048 0.000 1.066 227 N HN 0.526 nan 8.380 nan 0.000 0.465 228 T N 0.362 114.964 114.554 0.080 0.000 2.863 228 T HA 0.558 4.908 4.350 -0.001 0.000 0.285 228 T C 0.191 174.956 174.700 0.109 0.000 1.009 228 T CA -0.759 61.403 62.100 0.103 0.000 0.989 228 T CB 1.721 70.658 68.868 0.114 0.000 1.004 228 T HN 0.526 nan 8.240 nan 0.000 0.455 229 A N 3.804 126.699 122.820 0.125 0.000 2.540 229 A HA 0.418 4.738 4.320 -0.001 0.000 0.239 229 A C -2.273 175.378 177.584 0.111 0.000 1.061 229 A CA -0.888 51.219 52.037 0.117 0.000 0.758 229 A CB -0.724 18.361 19.000 0.141 0.000 0.991 229 A HN 0.519 nan 8.150 nan 0.000 0.502 230 P HA 0.175 nan 4.420 nan 0.000 0.261 230 P C -0.838 176.515 177.300 0.088 0.000 1.183 230 P CA 0.411 63.568 63.100 0.095 0.000 0.761 230 P CB 0.297 32.048 31.700 0.085 0.000 0.785 231 L N 5.542 126.814 121.223 0.082 0.000 2.441 231 L HA 0.336 4.675 4.340 -0.001 0.000 0.270 231 L C -1.051 175.847 176.870 0.046 0.000 0.973 231 L CA -0.636 54.240 54.840 0.062 0.000 0.842 231 L CB 1.887 43.975 42.059 0.050 0.000 1.239 231 L HN -0.000 nan 8.230 nan 0.000 0.406 232 V N 5.985 125.922 119.914 0.039 0.000 2.470 232 V HA 0.432 4.552 4.120 -0.001 0.000 0.276 232 V C 0.146 176.240 176.094 0.000 0.000 1.040 232 V CA -0.095 62.222 62.300 0.029 0.000 1.008 232 V CB 1.202 33.044 31.823 0.031 0.000 0.990 232 V HN 0.584 nan 8.190 nan 0.000 0.477 233 V N 3.709 123.610 119.914 -0.022 0.000 3.001 233 V HA 0.391 4.510 4.120 -0.001 0.000 0.314 233 V C 0.449 176.499 176.094 -0.073 0.000 1.099 233 V CA -0.325 61.940 62.300 -0.058 0.000 0.989 233 V CB 2.389 34.151 31.823 -0.102 0.000 1.040 233 V HN 0.874 nan 8.190 nan 0.000 0.434 234 D N 0.791 121.147 120.400 -0.074 0.000 2.259 234 D HA 0.141 4.780 4.640 -0.001 0.000 0.216 234 D C 0.548 176.786 176.300 -0.104 0.000 0.961 234 D CA 1.333 55.288 54.000 -0.075 0.000 0.878 234 D CB 0.515 41.282 40.800 -0.055 0.000 1.009 234 D HN 0.689 nan 8.370 nan 0.000 0.490 235 S N -1.139 114.497 115.700 -0.106 0.000 2.570 235 S HA 0.616 5.085 4.470 -0.001 0.000 0.270 235 S C -1.061 173.473 174.600 -0.109 0.000 1.149 235 S CA -0.980 57.156 58.200 -0.107 0.000 0.837 235 S CB 1.437 64.588 63.200 -0.081 0.000 1.124 235 S HN 0.017 nan 8.310 nan 0.000 0.465 236 I N 1.234 121.759 120.570 -0.075 0.000 2.466 236 I HA 0.425 4.595 4.170 -0.001 0.000 0.289 236 I C -0.522 175.562 176.117 -0.056 0.000 1.026 236 I CA -0.432 60.794 61.300 -0.123 0.000 1.078 236 I CB 2.164 40.044 38.000 -0.199 0.000 1.249 236 I HN 0.747 nan 8.210 nan 0.000 0.429 237 Q N 6.850 126.596 119.800 -0.090 0.000 2.368 237 Q HA 0.529 4.868 4.340 -0.001 0.000 0.256 237 Q C -1.334 174.560 176.000 -0.178 0.000 0.980 237 Q CA -0.431 55.278 55.803 -0.157 0.000 0.887 237 Q CB 1.680 30.308 28.738 -0.184 0.000 1.221 237 Q HN 0.666 nan 8.270 nan 0.000 0.458 238 I N 4.403 124.870 120.570 -0.172 0.000 2.362 238 I HA 0.391 4.561 4.170 -0.001 0.000 0.289 238 I C -1.232 174.731 176.117 -0.257 0.000 0.994 238 I CA -0.787 60.485 61.300 -0.047 0.000 1.158 238 I CB 0.601 38.645 38.000 0.073 0.000 1.315 238 I HN 0.574 nan 8.210 nan 0.000 0.451 239 F N 5.588 125.542 119.950 0.007 0.000 2.368 239 F HA 0.566 5.092 4.527 -0.000 0.000 0.315 239 F C 1.083 176.816 175.800 -0.111 0.000 1.145 239 F CA -0.492 57.482 58.000 -0.044 0.000 1.095 239 F CB 0.543 39.531 39.000 -0.020 0.000 1.286 239 F HN 0.465 nan 8.300 nan 0.000 0.530 240 A N 0.992 123.862 122.820 0.083 0.000 2.584 240 A HA 0.348 4.668 4.320 -0.001 0.000 0.239 240 A C 1.000 178.418 177.584 -0.277 0.000 1.043 240 A CA 0.415 52.408 52.037 -0.073 0.000 0.756 240 A CB -1.126 17.907 19.000 0.055 0.000 0.963 240 A HN 1.891 nan 8.150 nan 0.000 0.511 241 A N 1.439 123.948 122.820 -0.519 0.000 3.396 241 A HA -0.205 4.115 4.320 -0.001 0.000 0.267 241 A C 0.658 177.928 177.584 -0.523 0.000 1.139 241 A CA 1.764 53.432 52.037 -0.616 0.000 1.115 241 A CB -2.410 16.059 19.000 -0.884 0.000 1.133 241 A HN 0.969 nan 8.150 nan 0.000 0.920 242 Q N -1.184 118.392 119.800 -0.373 0.000 2.396 242 Q HA 0.638 4.977 4.340 -0.001 0.000 0.221 242 Q C 0.060 175.795 176.000 -0.442 0.000 1.025 242 Q CA -0.117 55.479 55.803 -0.345 0.000 0.946 242 Q CB 0.414 29.034 28.738 -0.198 0.000 1.224 242 Q HN 0.536 nan 8.270 nan 0.000 0.539 243 R N -0.099 120.086 120.500 -0.525 0.000 2.740 243 R HA 0.560 4.900 4.340 -0.001 0.000 0.273 243 R C -1.748 174.188 176.300 -0.606 0.000 0.998 243 R CA -0.580 55.239 56.100 -0.467 0.000 0.900 243 R CB 1.344 31.393 30.300 -0.418 0.000 1.223 243 R HN 0.478 nan 8.270 nan 0.000 0.466 244 Y N -0.844 119.371 120.300 -0.142 0.000 2.442 244 Y HA 0.415 4.964 4.550 -0.001 0.000 0.330 244 Y C -0.651 175.218 175.900 -0.052 0.000 1.100 244 Y CA -0.587 57.477 58.100 -0.061 0.000 1.034 244 Y CB 2.779 41.248 38.460 0.014 0.000 1.285 244 Y HN 0.469 nan 8.280 nan 0.000 0.440 245 S N 4.317 120.086 115.700 0.116 0.000 2.462 245 S HA 0.745 5.214 4.470 -0.001 0.000 0.294 245 S C -1.175 173.495 174.600 0.115 0.000 1.144 245 S CA -0.561 57.632 58.200 -0.011 0.000 1.088 245 S CB 0.086 63.241 63.200 -0.075 0.000 1.009 245 S HN 0.437 nan 8.310 nan 0.000 0.484 246 F N 0.707 120.693 119.950 0.059 0.000 2.578 246 F HA 0.785 5.311 4.527 -0.001 0.000 0.311 246 F C -1.076 174.782 175.800 0.097 0.000 1.094 246 F CA -1.339 56.710 58.000 0.081 0.000 0.923 246 F CB 0.447 39.499 39.000 0.088 0.000 1.230 246 F HN 0.192 nan 8.300 nan 0.000 0.450 247 V N 4.466 124.562 119.914 0.304 0.000 2.465 247 V HA 0.473 4.593 4.120 -0.001 0.000 0.279 247 V C -0.378 175.946 176.094 0.384 0.000 1.045 247 V CA -0.638 61.789 62.300 0.212 0.000 0.938 247 V CB 1.409 33.343 31.823 0.185 0.000 0.986 247 V HN 0.896 nan 8.190 nan 0.000 0.467 248 L N 4.314 125.760 121.223 0.372 0.000 2.381 248 L HA 0.613 4.952 4.340 -0.001 0.000 0.274 248 L C -0.270 176.806 176.870 0.342 0.000 0.988 248 L CA -0.321 54.786 54.840 0.444 0.000 0.824 248 L CB 1.864 44.331 42.059 0.679 0.000 1.263 248 L HN 0.642 nan 8.230 nan 0.000 0.410 249 E N 3.998 124.371 120.200 0.287 0.000 2.134 249 E HA 0.359 4.708 4.350 -0.001 0.000 0.278 249 E C -0.351 176.412 176.600 0.271 0.000 0.959 249 E CA -0.612 55.932 56.400 0.240 0.000 0.783 249 E CB 1.752 31.551 29.700 0.166 0.000 1.095 249 E HN 0.705 nan 8.360 nan 0.000 0.399 250 A N 4.025 126.990 122.820 0.242 0.000 3.026 250 A HA 0.011 4.331 4.320 -0.001 0.000 0.272 250 A C 0.451 178.234 177.584 0.331 0.000 1.782 250 A CA -0.271 51.870 52.037 0.174 0.000 1.451 250 A CB -0.950 17.961 19.000 -0.149 0.000 1.081 250 A HN 0.624 nan 8.150 nan 0.000 0.611 251 N N -0.485 118.397 118.700 0.304 0.000 2.187 251 N HA 0.048 4.788 4.740 -0.001 0.000 0.212 251 N C 0.208 175.784 175.510 0.109 0.000 1.152 251 N CA -0.115 53.047 53.050 0.187 0.000 0.872 251 N CB 0.253 38.801 38.487 0.102 0.000 1.025 251 N HN 0.410 nan 8.380 nan 0.000 0.514 252 Q N 0.556 120.416 119.800 0.099 0.000 2.185 252 Q HA 0.548 4.887 4.340 -0.001 0.000 0.225 252 Q C -0.187 175.703 176.000 -0.184 0.000 0.983 252 Q CA -0.720 55.001 55.803 -0.137 0.000 0.950 252 Q CB 0.957 29.432 28.738 -0.438 0.000 1.176 252 Q HN 0.316 nan 8.270 nan 0.000 0.510 253 A N 0.558 123.294 122.820 -0.140 0.000 2.540 253 A HA 0.168 4.488 4.320 -0.001 0.000 0.239 253 A C 0.037 177.428 177.584 -0.322 0.000 1.061 253 A CA -0.341 51.612 52.037 -0.140 0.000 0.758 253 A CB -0.005 18.951 19.000 -0.073 0.000 0.991 253 A HN 0.434 nan 8.150 nan 0.000 0.502 254 V N 4.181 123.962 119.914 -0.222 0.000 2.506 254 V HA 0.158 4.278 4.120 -0.001 0.000 0.296 254 V C 0.399 176.392 176.094 -0.168 0.000 1.004 254 V CA 1.187 63.383 62.300 -0.173 0.000 1.150 254 V CB -0.541 31.305 31.823 0.038 0.000 0.911 254 V HN 1.067 nan 8.190 nan 0.000 0.476 255 D N 3.469 123.770 120.400 -0.164 0.000 2.809 255 D HA 0.191 4.831 4.640 -0.001 0.000 0.336 255 D C -1.320 174.883 176.300 -0.161 0.000 1.367 255 D CA -0.663 53.200 54.000 -0.227 0.000 0.815 255 D CB 1.269 41.784 40.800 -0.475 0.000 1.381 255 D HN 0.385 nan 8.370 nan 0.000 0.471 256 N N 0.599 119.080 118.700 -0.364 0.000 2.421 256 N HA 0.380 5.119 4.740 -0.001 0.000 0.285 256 N C -1.097 174.094 175.510 -0.532 0.000 1.027 256 N CA -0.092 52.788 53.050 -0.284 0.000 0.918 256 N CB 1.095 39.387 38.487 -0.326 0.000 1.152 256 N HN 0.242 nan 8.380 nan 0.000 0.485 257 Y N -0.087 120.123 120.300 -0.150 0.000 2.409 257 Y HA 0.316 4.866 4.550 -0.001 0.000 0.343 257 Y C -0.167 175.657 175.900 -0.127 0.000 0.973 257 Y CA -0.902 57.123 58.100 -0.125 0.000 1.064 257 Y CB 1.218 39.686 38.460 0.015 0.000 1.207 257 Y HN 0.415 nan 8.280 nan 0.000 0.452 258 W N 4.201 125.497 121.300 -0.007 0.000 2.253 258 W HA 0.443 5.104 4.660 0.001 0.000 0.322 258 W C -0.498 175.913 176.519 -0.179 0.000 1.342 258 W CA -0.188 57.088 57.345 -0.116 0.000 1.218 258 W CB 0.497 29.840 29.460 -0.195 0.000 1.205 258 W HN 0.256 nan 8.180 nan 0.000 0.551 259 I N 5.044 125.682 120.570 0.114 0.000 2.328 259 I HA 0.298 4.468 4.170 -0.001 0.000 0.287 259 I C 0.002 175.992 176.117 -0.211 0.000 1.012 259 I CA -0.813 60.392 61.300 -0.157 0.000 1.195 259 I CB 0.602 38.535 38.000 -0.111 0.000 1.350 259 I HN 0.317 nan 8.210 nan 0.000 0.464 260 R N 5.260 125.520 120.500 -0.400 0.000 2.532 260 R HA 0.786 5.125 4.340 -0.001 0.000 0.295 260 R C -0.460 175.732 176.300 -0.179 0.000 0.968 260 R CA -0.683 55.269 56.100 -0.247 0.000 0.916 260 R CB 1.857 31.909 30.300 -0.413 0.000 1.124 260 R HN 0.672 nan 8.270 nan 0.000 0.463 261 A N 2.876 125.743 122.820 0.078 0.000 2.943 261 A HA 0.208 4.528 4.320 -0.001 0.000 0.327 261 A C -0.984 176.704 177.584 0.172 0.000 1.141 261 A CA -0.720 51.379 52.037 0.104 0.000 0.773 261 A CB 0.288 19.257 19.000 -0.052 0.000 1.143 261 A HN 0.608 nan 8.150 nan 0.000 0.463 262 N N 3.481 122.291 118.700 0.183 0.000 2.411 262 N HA 0.370 5.109 4.740 -0.001 0.000 0.259 262 N C -2.521 173.009 175.510 0.033 0.000 1.103 262 N CA -1.541 51.517 53.050 0.013 0.000 0.954 262 N CB 1.297 39.761 38.487 -0.039 0.000 1.085 262 N HN 0.366 nan 8.380 nan 0.000 0.485 263 P HA 0.108 nan 4.420 nan 0.000 0.274 263 P C 0.110 177.217 177.300 -0.323 0.000 1.231 263 P CA -0.290 62.604 63.100 -0.343 0.000 0.790 263 P CB 0.831 32.294 31.700 -0.395 0.000 0.951 264 N N 1.526 119.993 118.700 -0.387 0.000 2.396 264 N HA -0.081 4.659 4.740 -0.001 0.000 0.180 264 N C 0.356 175.858 175.510 -0.012 0.000 1.028 264 N CA 0.888 53.840 53.050 -0.163 0.000 0.893 264 N CB -0.622 37.824 38.487 -0.069 0.000 0.967 264 N HN 0.528 nan 8.380 nan 0.000 0.440 265 F N -4.266 115.604 119.950 -0.134 0.000 2.713 265 F HA 0.734 5.261 4.527 -0.000 0.000 0.311 265 F C 0.498 176.236 175.800 -0.104 0.000 1.141 265 F CA -0.494 57.446 58.000 -0.101 0.000 0.939 265 F CB 1.166 40.122 39.000 -0.073 0.000 1.325 265 F HN 0.161 nan 8.300 nan 0.000 0.453 266 G N 1.473 110.369 108.800 0.161 0.000 2.594 266 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.217 266 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.217 266 G C -1.430 173.437 174.900 -0.054 0.000 1.163 266 G CA -0.434 44.687 45.100 0.034 0.000 1.074 266 G HN 0.931 nan 8.290 nan 0.000 0.589 267 N N 1.917 120.549 118.700 -0.113 0.000 2.602 267 N HA 0.425 5.165 4.740 -0.001 0.000 0.238 267 N C 0.640 176.043 175.510 -0.177 0.000 1.084 267 N CA 0.615 53.588 53.050 -0.129 0.000 0.952 267 N CB 1.130 39.537 38.487 -0.132 0.000 1.244 267 N HN 1.085 nan 8.380 nan 0.000 0.512 268 V N -0.595 119.209 119.914 -0.183 0.000 3.134 268 V HA 0.966 5.086 4.120 -0.001 0.000 0.313 268 V C 0.942 176.823 176.094 -0.354 0.000 1.069 268 V CA -0.114 62.028 62.300 -0.263 0.000 1.048 268 V CB 0.781 32.487 31.823 -0.196 0.000 1.119 268 V HN 0.750 nan 8.190 nan 0.000 0.461 269 G N 1.632 110.073 108.800 -0.599 0.000 2.660 269 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.247 269 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.247 269 G C -0.781 173.466 174.900 -1.089 0.000 1.328 269 G CA 0.093 44.765 45.100 -0.714 0.000 0.884 269 G HN 1.396 nan 8.290 nan 0.000 0.531 270 F N 0.383 120.228 119.950 -0.174 0.000 2.859 270 F HA 0.335 4.862 4.527 -0.000 0.000 0.324 270 F C 1.388 177.044 175.800 -0.240 0.000 1.158 270 F CA 0.052 57.898 58.000 -0.257 0.000 1.147 270 F CB 0.819 39.596 39.000 -0.372 0.000 1.137 270 F HN 0.430 nan 8.300 nan 0.000 0.516 271 T N 0.882 115.401 114.554 -0.059 0.000 2.908 271 T HA 0.332 4.681 4.350 -0.001 0.000 0.301 271 T C 1.259 175.930 174.700 -0.048 0.000 1.019 271 T CA 1.440 63.512 62.100 -0.046 0.000 1.152 271 T CB 0.472 69.312 68.868 -0.046 0.000 0.966 271 T HN 0.737 nan 8.240 nan 0.000 0.540 272 G N 2.506 111.290 108.800 -0.026 0.000 2.168 272 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.263 272 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.263 272 G C 1.009 175.901 174.900 -0.012 0.000 0.977 272 G CA 0.358 45.456 45.100 -0.003 0.000 0.659 272 G HN 1.930 nan 8.290 nan 0.000 0.533 273 G N -0.704 108.036 108.800 -0.099 0.000 2.143 273 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.249 273 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.249 273 G C 0.702 175.528 174.900 -0.125 0.000 0.981 273 G CA 0.747 45.726 45.100 -0.201 0.000 0.665 273 G HN 2.208 nan 8.290 nan 0.000 0.528 274 I N -3.104 117.416 120.570 -0.083 0.000 3.194 274 I HA 0.428 4.597 4.170 -0.001 0.000 0.283 274 I C 1.036 177.118 176.117 -0.059 0.000 1.199 274 I CA 0.572 61.834 61.300 -0.064 0.000 1.328 274 I CB 0.018 37.967 38.000 -0.086 0.000 1.404 274 I HN 0.226 nan 8.210 nan 0.000 0.618 275 N N 1.094 119.762 118.700 -0.052 0.000 2.708 275 N HA -0.185 4.555 4.740 -0.001 0.000 0.249 275 N C -0.955 174.596 175.510 0.068 0.000 1.097 275 N CA 0.763 53.798 53.050 -0.025 0.000 0.710 275 N CB -0.805 37.598 38.487 -0.139 0.000 1.032 275 N HN 0.733 nan 8.380 nan 0.000 0.551 276 S N -1.069 114.642 115.700 0.018 0.000 2.661 276 S HA 0.949 5.418 4.470 -0.001 0.000 0.285 276 S C -0.375 174.279 174.600 0.091 0.000 1.138 276 S CA -0.288 57.922 58.200 0.016 0.000 0.855 276 S CB 2.627 65.717 63.200 -0.183 0.000 1.136 276 S HN 0.405 nan 8.310 nan 0.000 0.484 277 A N 0.610 123.526 122.820 0.160 0.000 2.567 277 A HA 0.891 5.211 4.320 -0.001 0.000 0.289 277 A C -1.849 175.846 177.584 0.186 0.000 1.177 277 A CA -0.742 51.380 52.037 0.142 0.000 0.694 277 A CB 0.832 19.865 19.000 0.055 0.000 1.292 277 A HN 0.697 nan 8.150 nan 0.000 0.425 278 I N 0.485 121.097 120.570 0.069 0.000 2.436 278 I HA 0.389 4.559 4.170 -0.001 0.000 0.289 278 I C -1.224 174.871 176.117 -0.038 0.000 1.010 278 I CA -0.660 60.637 61.300 -0.005 0.000 1.098 278 I CB 1.796 39.754 38.000 -0.070 0.000 1.266 278 I HN 0.488 nan 8.210 nan 0.000 0.434 279 L N 7.222 128.428 121.223 -0.029 0.000 2.257 279 L HA 0.459 4.798 4.340 -0.001 0.000 0.290 279 L C -0.190 176.726 176.870 0.076 0.000 1.044 279 L CA -0.007 54.813 54.840 -0.034 0.000 0.810 279 L CB 0.624 42.638 42.059 -0.075 0.000 1.193 279 L HN 0.568 nan 8.230 nan 0.000 0.425 280 R N 4.042 124.565 120.500 0.039 0.000 2.337 280 R HA 0.350 4.690 4.340 -0.001 0.000 0.319 280 R C -1.339 175.045 176.300 0.139 0.000 0.954 280 R CA -0.613 55.547 56.100 0.100 0.000 0.840 280 R CB 0.638 30.950 30.300 0.020 0.000 1.164 280 R HN 0.484 nan 8.270 nan 0.000 0.472 281 Y N 2.078 122.412 120.300 0.057 0.000 2.411 281 Y HA 0.013 4.563 4.550 -0.001 0.000 0.333 281 Y C 0.478 176.402 175.900 0.041 0.000 1.186 281 Y CA 0.278 58.418 58.100 0.067 0.000 1.381 281 Y CB 0.534 39.067 38.460 0.121 0.000 1.273 281 Y HN 0.536 nan 8.280 nan 0.000 0.546 282 D N 1.462 121.950 120.400 0.146 0.000 2.493 282 D HA 0.266 4.906 4.640 -0.001 0.000 0.240 282 D C 1.191 177.562 176.300 0.118 0.000 1.142 282 D CA 1.640 55.700 54.000 0.101 0.000 0.872 282 D CB 0.785 41.633 40.800 0.079 0.000 1.173 282 D HN 0.820 nan 8.370 nan 0.000 0.467 283 G N 0.965 109.811 108.800 0.077 0.000 2.232 283 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.226 283 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.226 283 G C 0.488 175.414 174.900 0.043 0.000 0.996 283 G CA 0.158 45.293 45.100 0.059 0.000 0.626 283 G HN 0.866 nan 8.290 nan 0.000 0.509 284 A N 0.627 123.482 122.820 0.059 0.000 2.371 284 A HA 0.863 5.183 4.320 -0.001 0.000 0.257 284 A C 0.967 178.547 177.584 -0.007 0.000 1.089 284 A CA 1.066 53.114 52.037 0.019 0.000 0.794 284 A CB 0.527 19.550 19.000 0.038 0.000 1.029 284 A HN 2.092 nan 8.150 nan 0.000 0.488 285 A N 0.950 123.748 122.820 -0.036 0.000 2.366 285 A HA 0.530 4.850 4.320 -0.001 0.000 0.249 285 A C 0.803 178.357 177.584 -0.050 0.000 1.084 285 A CA 0.215 52.228 52.037 -0.040 0.000 0.794 285 A CB -0.050 18.920 19.000 -0.051 0.000 1.034 285 A HN 2.113 nan 8.150 nan 0.000 0.491 286 A N 1.481 124.277 122.820 -0.041 0.000 2.915 286 A HA 0.501 4.821 4.320 -0.001 0.000 0.292 286 A C 0.208 177.757 177.584 -0.059 0.000 1.632 286 A CA 0.272 52.282 52.037 -0.044 0.000 1.337 286 A CB -1.384 17.600 19.000 -0.027 0.000 1.111 286 A HN 2.029 nan 8.150 nan 0.000 0.569 287 V N -1.069 118.790 119.914 -0.091 0.000 3.182 287 V HA 0.579 4.698 4.120 -0.001 0.000 0.308 287 V C -0.403 175.585 176.094 -0.177 0.000 1.240 287 V CA -1.230 61.005 62.300 -0.108 0.000 1.063 287 V CB 1.213 32.972 31.823 -0.107 0.000 1.076 287 V HN 0.603 nan 8.190 nan 0.000 0.446 288 E N 1.545 121.631 120.200 -0.191 0.000 2.373 288 E HA 0.413 4.763 4.350 -0.001 0.000 0.263 288 E C -2.407 173.862 176.600 -0.551 0.000 1.073 288 E CA -1.407 54.781 56.400 -0.353 0.000 0.894 288 E CB 0.966 30.565 29.700 -0.167 0.000 1.008 288 E HN 0.616 nan 8.360 nan 0.000 0.420 289 P HA 0.055 nan 4.420 nan 0.000 0.275 289 P C -0.025 176.849 177.300 -0.710 0.000 1.266 289 P CA -0.053 62.438 63.100 -1.015 0.000 0.793 289 P CB 0.622 31.429 31.700 -1.488 0.000 1.074 290 T N -6.215 108.089 114.554 -0.418 0.000 3.488 290 T HA 0.127 4.477 4.350 -0.001 0.000 0.312 290 T C 0.217 174.885 174.700 -0.053 0.000 0.931 290 T CA -0.357 61.682 62.100 -0.102 0.000 0.982 290 T CB -1.281 67.534 68.868 -0.089 0.000 1.198 290 T HN 0.440 nan 8.240 nan 0.000 0.545 291 T N 1.964 116.442 114.554 -0.127 0.000 2.898 291 T HA 0.489 4.838 4.350 -0.001 0.000 0.301 291 T C 0.447 175.215 174.700 0.113 0.000 1.049 291 T CA -0.120 61.955 62.100 -0.042 0.000 1.095 291 T CB 0.966 69.789 68.868 -0.075 0.000 0.976 291 T HN 0.468 nan 8.240 nan 0.000 0.539 292 T N 0.299 114.889 114.554 0.059 0.000 2.902 292 T HA 0.407 4.756 4.350 -0.001 0.000 0.283 292 T C -0.193 174.511 174.700 0.007 0.000 1.009 292 T CA -1.047 61.076 62.100 0.039 0.000 1.051 292 T CB 1.452 70.328 68.868 0.014 0.000 0.999 292 T HN 0.869 nan 8.240 nan 0.000 0.474 293 Q N 1.499 121.266 119.800 -0.054 0.000 2.314 293 Q HA 0.430 4.770 4.340 -0.001 0.000 0.258 293 Q C -0.173 175.797 176.000 -0.050 0.000 0.954 293 Q CA -0.557 55.190 55.803 -0.093 0.000 0.890 293 Q CB 0.587 29.208 28.738 -0.194 0.000 1.210 293 Q HN 0.923 nan 8.270 nan 0.000 0.410 294 T N 0.230 114.759 114.554 -0.042 0.000 2.949 294 T HA 0.417 4.766 4.350 -0.001 0.000 0.287 294 T C -0.096 174.585 174.700 -0.031 0.000 1.034 294 T CA -0.824 61.260 62.100 -0.028 0.000 1.018 294 T CB 1.508 70.364 68.868 -0.021 0.000 1.135 294 T HN 0.526 nan 8.240 nan 0.000 0.532 295 T N 2.382 116.923 114.554 -0.022 0.000 2.928 295 T HA 0.253 4.603 4.350 -0.001 0.000 0.305 295 T C 0.520 175.205 174.700 -0.025 0.000 1.035 295 T CA -0.101 61.987 62.100 -0.019 0.000 1.145 295 T CB 0.649 69.509 68.868 -0.013 0.000 0.963 295 T HN 0.769 nan 8.240 nan 0.000 0.545 296 S N 1.854 117.539 115.700 -0.026 0.000 2.474 296 S HA 0.221 4.690 4.470 -0.001 0.000 0.276 296 S C 1.329 175.915 174.600 -0.024 0.000 1.227 296 S CA -0.498 57.683 58.200 -0.032 0.000 1.050 296 S CB 0.125 63.303 63.200 -0.036 0.000 0.939 296 S HN 0.857 nan 8.310 nan 0.000 0.490 297 T N 1.843 116.383 114.554 -0.023 0.000 3.054 297 T HA 0.460 4.809 4.350 -0.001 0.000 0.255 297 T C 0.459 175.150 174.700 -0.016 0.000 1.035 297 T CA 0.165 62.255 62.100 -0.016 0.000 0.941 297 T CB 0.369 69.229 68.868 -0.014 0.000 1.026 297 T HN 0.680 nan 8.240 nan 0.000 0.533 298 A N 1.945 124.751 122.820 -0.024 0.000 3.176 298 A HA 0.659 4.978 4.320 -0.001 0.000 0.265 298 A C -3.087 174.475 177.584 -0.036 0.000 0.936 298 A CA -1.307 50.716 52.037 -0.024 0.000 1.033 298 A CB 0.377 19.364 19.000 -0.022 0.000 1.158 298 A HN 0.235 nan 8.150 nan 0.000 0.485 299 P HA 0.164 nan 4.420 nan 0.000 0.266 299 P C 0.125 177.396 177.300 -0.048 0.000 1.195 299 P CA -0.120 62.955 63.100 -0.042 0.000 0.768 299 P CB 0.553 32.237 31.700 -0.025 0.000 0.838 300 L N 3.166 124.344 121.223 -0.076 0.000 2.453 300 L HA 0.310 4.649 4.340 -0.001 0.000 0.272 300 L C -0.108 176.738 176.870 -0.040 0.000 1.182 300 L CA 0.651 55.436 54.840 -0.092 0.000 0.858 300 L CB -0.300 41.645 42.059 -0.190 0.000 1.120 300 L HN 0.280 nan 8.230 nan 0.000 0.474 301 N N 3.208 121.893 118.700 -0.024 0.000 2.461 301 N HA 0.130 4.870 4.740 -0.001 0.000 0.284 301 N C 0.377 175.888 175.510 0.001 0.000 1.049 301 N CA -0.319 52.733 53.050 0.003 0.000 0.889 301 N CB 1.359 39.846 38.487 0.000 0.000 1.365 301 N HN 0.905 nan 8.380 nan 0.000 0.499 302 E N 2.057 122.278 120.200 0.035 0.000 2.169 302 E HA -0.174 4.176 4.350 -0.001 0.000 0.202 302 E C 1.070 177.645 176.600 -0.041 0.000 1.016 302 E CA 1.354 57.774 56.400 0.034 0.000 0.817 302 E CB 0.335 30.069 29.700 0.057 0.000 0.736 302 E HN 0.442 nan 8.360 nan 0.000 0.462 303 V N 1.732 121.618 119.914 -0.046 0.000 2.688 303 V HA -0.226 3.894 4.120 -0.001 0.000 0.256 303 V C 1.534 177.549 176.094 -0.131 0.000 1.084 303 V CA 1.590 63.844 62.300 -0.077 0.000 1.103 303 V CB -0.398 31.402 31.823 -0.039 0.000 0.688 303 V HN 0.332 nan 8.190 nan 0.000 0.480 304 N N -0.194 118.444 118.700 -0.103 0.000 2.398 304 N HA 0.138 4.878 4.740 -0.001 0.000 0.188 304 N C 0.332 175.712 175.510 -0.217 0.000 1.122 304 N CA 0.226 53.218 53.050 -0.097 0.000 0.866 304 N CB 0.141 38.620 38.487 -0.012 0.000 0.970 304 N HN 0.393 nan 8.380 nan 0.000 0.462 305 L N 1.050 122.109 121.223 -0.273 0.000 2.290 305 L HA 0.262 4.602 4.340 -0.001 0.000 0.284 305 L C -0.376 176.239 176.870 -0.425 0.000 1.078 305 L CA -0.163 54.554 54.840 -0.205 0.000 0.815 305 L CB 0.519 42.559 42.059 -0.031 0.000 1.162 305 L HN 0.055 nan 8.230 nan 0.000 0.435 306 H N 2.228 121.351 119.070 0.087 0.000 2.851 306 H HA 0.384 4.939 4.556 -0.001 0.000 0.372 306 H C -2.455 172.934 175.328 0.103 0.000 1.158 306 H CA -1.819 54.286 56.048 0.095 0.000 1.159 306 H CB 1.870 31.679 29.762 0.078 0.000 1.757 306 H HN 0.366 nan 8.280 nan 0.000 0.546 307 P HA -0.093 nan 4.420 nan 0.000 0.269 307 P C 0.535 177.916 177.300 0.135 0.000 1.209 307 P CA -0.144 63.058 63.100 0.169 0.000 0.776 307 P CB 0.851 32.651 31.700 0.167 0.000 0.876 308 L N 4.695 125.976 121.223 0.097 0.000 2.056 308 L HA -0.033 4.307 4.340 -0.001 0.000 0.207 308 L C 0.347 177.254 176.870 0.062 0.000 1.078 308 L CA 1.933 56.821 54.840 0.080 0.000 0.749 308 L CB -0.222 41.878 42.059 0.068 0.000 0.901 308 L HN 0.069 nan 8.230 nan 0.000 0.433 309 V N 0.884 120.827 119.914 0.049 0.000 2.472 309 V HA 0.584 4.704 4.120 -0.001 0.000 0.290 309 V C 0.560 176.675 176.094 0.034 0.000 1.037 309 V CA -0.861 61.458 62.300 0.033 0.000 0.908 309 V CB 0.787 32.620 31.823 0.016 0.000 0.985 309 V HN 0.353 nan 8.190 nan 0.000 0.454 310 A N 3.788 126.629 122.820 0.035 0.000 2.561 310 A HA 0.430 4.750 4.320 -0.001 0.000 0.251 310 A C 0.475 178.076 177.584 0.029 0.000 1.062 310 A CA 0.422 52.485 52.037 0.044 0.000 0.761 310 A CB -0.381 18.641 19.000 0.037 0.000 0.986 310 A HN 0.861 nan 8.150 nan 0.000 0.510 311 T N 2.500 117.086 114.554 0.053 0.000 2.965 311 T HA 0.549 4.899 4.350 -0.001 0.000 0.306 311 T C 0.115 174.896 174.700 0.135 0.000 0.991 311 T CA 0.265 62.364 62.100 -0.000 0.000 1.001 311 T CB 1.323 70.073 68.868 -0.197 0.000 0.984 311 T HN 1.162 nan 8.240 nan 0.000 0.446 312 A N 3.096 125.985 122.820 0.114 0.000 2.511 312 A HA 0.493 4.813 4.320 -0.001 0.000 0.242 312 A C 0.519 178.277 177.584 0.290 0.000 1.069 312 A CA -0.306 51.833 52.037 0.170 0.000 0.763 312 A CB 0.085 19.149 19.000 0.107 0.000 1.001 312 A HN 0.722 nan 8.150 nan 0.000 0.498 313 V N 6.182 126.266 119.914 0.283 0.000 2.508 313 V HA 0.185 4.305 4.120 -0.001 0.000 0.281 313 V C -1.520 174.697 176.094 0.205 0.000 1.041 313 V CA -0.964 61.508 62.300 0.287 0.000 1.016 313 V CB 0.644 32.605 31.823 0.229 0.000 0.984 313 V HN 0.896 nan 8.190 nan 0.000 0.478 314 P HA 0.262 nan 4.420 nan 0.000 0.267 314 P C 0.454 177.784 177.300 0.050 0.000 1.200 314 P CA 1.135 64.296 63.100 0.101 0.000 0.772 314 P CB 0.596 32.343 31.700 0.078 0.000 0.855 315 G N 2.066 110.871 108.800 0.008 0.000 2.568 315 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.222 315 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.222 315 G C -0.783 174.095 174.900 -0.038 0.000 1.321 315 G CA -0.304 44.780 45.100 -0.028 0.000 0.893 315 G HN 0.670 nan 8.290 nan 0.000 0.569 316 S N 2.119 117.762 115.700 -0.095 0.000 2.532 316 S HA 0.695 5.165 4.470 -0.001 0.000 0.301 316 S C -2.110 172.295 174.600 -0.325 0.000 1.083 316 S CA -0.541 57.571 58.200 -0.147 0.000 1.025 316 S CB 2.524 65.640 63.200 -0.139 0.000 1.056 316 S HN 0.756 nan 8.310 nan 0.000 0.494 317 P HA 0.137 nan 4.420 nan 0.000 0.251 317 P C -0.903 175.830 177.300 -0.944 0.000 1.624 317 P CA 0.311 62.982 63.100 -0.716 0.000 0.907 317 P CB -0.524 31.067 31.700 -0.181 0.000 1.867 318 V N -0.153 119.150 119.914 -1.019 0.000 3.048 318 V HA 0.493 4.613 4.120 -0.001 0.000 0.303 318 V C 0.056 175.902 176.094 -0.413 0.000 1.214 318 V CA -1.457 60.501 62.300 -0.571 0.000 0.984 318 V CB 1.959 33.611 31.823 -0.285 0.000 1.054 318 V HN 0.240 nan 8.190 nan 0.000 0.430 319 A N 1.812 124.515 122.820 -0.196 0.000 2.546 319 A HA 0.499 4.818 4.320 -0.001 0.000 0.243 319 A C 1.585 179.105 177.584 -0.106 0.000 1.063 319 A CA 1.030 53.003 52.037 -0.106 0.000 0.757 319 A CB -0.587 18.310 19.000 -0.172 0.000 0.991 319 A HN 2.525 nan 8.150 nan 0.000 0.503 320 G N 1.892 110.652 108.800 -0.067 0.000 2.220 320 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.269 320 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.269 320 G C 1.080 175.923 174.900 -0.094 0.000 0.977 320 G CA 0.704 45.758 45.100 -0.076 0.000 0.634 320 G HN 2.119 nan 8.290 nan 0.000 0.539 321 G N -0.208 108.515 108.800 -0.127 0.000 2.894 321 G HA2 0.499 4.459 3.960 -0.001 0.000 0.265 321 G HA3 0.499 4.459 3.960 -0.001 0.000 0.265 321 G C -0.112 174.722 174.900 -0.110 0.000 0.735 321 G CA 0.864 45.882 45.100 -0.137 0.000 2.064 321 G HN 1.253 nan 8.290 nan 0.000 0.590 322 V N -0.154 119.703 119.914 -0.095 0.000 3.206 322 V HA 0.265 4.385 4.120 -0.001 0.000 0.305 322 V C 0.214 176.248 176.094 -0.099 0.000 1.257 322 V CA -0.678 61.563 62.300 -0.098 0.000 1.057 322 V CB 2.085 33.843 31.823 -0.108 0.000 1.075 322 V HN 0.376 nan 8.190 nan 0.000 0.443 323 D N 1.065 121.399 120.400 -0.110 0.000 2.084 323 D HA 0.011 4.651 4.640 -0.001 0.000 0.196 323 D C 0.301 176.536 176.300 -0.108 0.000 0.985 323 D CA 1.583 55.523 54.000 -0.101 0.000 0.826 323 D CB 0.445 41.182 40.800 -0.106 0.000 0.978 323 D HN 0.188 nan 8.370 nan 0.000 0.456 324 L N 0.384 121.519 121.223 -0.146 0.000 2.406 324 L HA 0.521 4.861 4.340 -0.001 0.000 0.272 324 L C -1.544 175.225 176.870 -0.169 0.000 0.980 324 L CA -0.496 54.256 54.840 -0.145 0.000 0.831 324 L CB 1.832 43.790 42.059 -0.168 0.000 1.253 324 L HN -0.165 nan 8.230 nan 0.000 0.406 325 A N 6.480 129.223 122.820 -0.127 0.000 2.331 325 A HA 0.848 5.167 4.320 -0.001 0.000 0.320 325 A C -0.987 176.526 177.584 -0.119 0.000 1.138 325 A CA -0.486 51.473 52.037 -0.129 0.000 0.790 325 A CB 1.149 20.089 19.000 -0.099 0.000 1.206 325 A HN 0.664 nan 8.150 nan 0.000 0.470 326 I N 2.358 122.837 120.570 -0.152 0.000 2.619 326 I HA 0.324 4.494 4.170 -0.001 0.000 0.292 326 I C -0.530 175.461 176.117 -0.211 0.000 1.100 326 I CA -0.706 60.506 61.300 -0.147 0.000 1.043 326 I CB 2.243 40.142 38.000 -0.168 0.000 1.239 326 I HN 0.714 nan 8.210 nan 0.000 0.420 327 N N 7.117 125.712 118.700 -0.176 0.000 2.400 327 N HA 0.405 5.144 4.740 -0.001 0.000 0.288 327 N C -1.258 174.109 175.510 -0.239 0.000 1.024 327 N CA -0.538 52.370 53.050 -0.236 0.000 0.894 327 N CB 1.495 39.889 38.487 -0.153 0.000 1.173 327 N HN 0.464 nan 8.380 nan 0.000 0.487 328 M N 2.847 122.208 119.600 -0.399 0.000 2.080 328 M HA 0.276 4.755 4.480 -0.001 0.000 0.350 328 M C -0.172 175.941 176.300 -0.311 0.000 1.143 328 M CA -0.707 54.408 55.300 -0.308 0.000 1.064 328 M CB 0.421 32.766 32.600 -0.425 0.000 1.429 328 M HN 0.457 nan 8.290 nan 0.000 0.418 329 A N 4.536 127.330 122.820 -0.043 0.000 2.343 329 A HA 0.590 4.909 4.320 -0.001 0.000 0.305 329 A C -0.447 177.331 177.584 0.323 0.000 1.308 329 A CA -0.365 51.697 52.037 0.042 0.000 0.949 329 A CB -0.099 18.947 19.000 0.076 0.000 1.148 329 A HN 0.565 nan 8.150 nan 0.000 0.545 330 F N 1.750 121.829 119.950 0.215 0.000 2.429 330 F HA 0.347 4.873 4.527 -0.001 0.000 0.348 330 F C 0.890 176.870 175.800 0.299 0.000 1.109 330 F CA -0.260 57.950 58.000 0.350 0.000 1.232 330 F CB 0.602 39.814 39.000 0.353 0.000 1.157 330 F HN 0.749 nan 8.300 nan 0.000 0.564 331 N N 0.874 119.889 118.700 0.524 0.000 2.823 331 N HA 0.539 5.278 4.740 -0.001 0.000 0.251 331 N C -2.259 173.471 175.510 0.366 0.000 1.392 331 N CA -0.559 52.693 53.050 0.336 0.000 0.864 331 N CB 1.905 40.511 38.487 0.198 0.000 1.481 331 N HN 0.319 nan 8.380 nan 0.000 0.508 332 F N 1.919 121.850 119.950 -0.032 0.000 2.615 332 F HA 0.374 4.900 4.527 -0.001 0.000 0.312 332 F C -1.010 174.693 175.800 -0.163 0.000 1.119 332 F CA -0.715 57.177 58.000 -0.180 0.000 0.979 332 F CB 1.392 40.124 39.000 -0.447 0.000 1.266 332 F HN 0.591 nan 8.300 nan 0.000 0.444 333 N N 2.344 120.626 118.700 -0.697 0.000 2.238 333 N HA 0.497 5.237 4.740 -0.001 0.000 0.235 333 N C 0.551 175.649 175.510 -0.688 0.000 1.209 333 N CA 0.284 53.017 53.050 -0.530 0.000 0.879 333 N CB 1.287 39.575 38.487 -0.331 0.000 1.136 333 N HN 0.992 nan 8.380 nan 0.000 0.517 334 G N 0.141 108.062 108.800 -1.465 0.000 3.151 334 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.197 334 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.197 334 G C 0.935 175.487 174.900 -0.581 0.000 1.682 334 G CA 0.414 44.993 45.100 -0.868 0.000 1.205 334 G HN 0.658 nan 8.290 nan 0.000 0.510 335 T N -1.547 112.763 114.554 -0.406 0.000 2.985 335 T HA 0.400 4.750 4.350 -0.001 0.000 0.254 335 T C 0.471 175.223 174.700 0.087 0.000 1.021 335 T CA 0.766 62.857 62.100 -0.014 0.000 0.957 335 T CB 0.375 69.218 68.868 -0.041 0.000 1.047 335 T HN 0.431 nan 8.240 nan 0.000 0.511 336 N N 0.335 118.939 118.700 -0.159 0.000 2.242 336 N HA 0.503 5.243 4.740 -0.001 0.000 0.292 336 N C -1.846 173.664 175.510 -0.000 0.000 1.125 336 N CA -0.489 52.566 53.050 0.010 0.000 0.783 336 N CB 1.987 40.463 38.487 -0.018 0.000 1.558 336 N HN 0.064 nan 8.380 nan 0.000 0.472 337 F N 0.866 120.943 119.950 0.212 0.000 2.377 337 F HA 0.551 5.077 4.527 -0.001 0.000 0.328 337 F C 0.013 175.846 175.800 0.056 0.000 1.094 337 F CA -0.142 57.962 58.000 0.173 0.000 1.093 337 F CB 0.807 39.716 39.000 -0.151 0.000 1.214 337 F HN 0.310 nan 8.300 nan 0.000 0.518 338 F N 2.043 122.246 119.950 0.422 0.000 2.588 338 F HA 0.627 5.154 4.527 -0.001 0.000 0.310 338 F C -0.645 175.481 175.800 0.542 0.000 1.082 338 F CA -0.861 57.384 58.000 0.408 0.000 0.929 338 F CB 1.918 41.074 39.000 0.259 0.000 1.254 338 F HN 0.042 nan 8.300 nan 0.000 0.455 339 I N 2.214 123.164 120.570 0.634 0.000 2.497 339 I HA 0.240 4.409 4.170 -0.001 0.000 0.284 339 I C -0.637 175.753 176.117 0.454 0.000 1.060 339 I CA -0.613 61.027 61.300 0.567 0.000 1.071 339 I CB 1.528 39.813 38.000 0.476 0.000 1.216 339 I HN 0.749 nan 8.210 nan 0.000 0.442 340 N N 4.574 123.506 118.700 0.388 0.000 2.738 340 N HA -0.200 4.540 4.740 -0.001 0.000 0.249 340 N C 0.936 176.626 175.510 0.300 0.000 1.047 340 N CA 0.536 53.768 53.050 0.303 0.000 0.707 340 N CB -0.517 38.167 38.487 0.329 0.000 0.937 340 N HN 1.170 nan 8.380 nan 0.000 0.545 341 G N -1.692 107.311 108.800 0.338 0.000 2.155 341 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.257 341 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.257 341 G C 0.057 175.251 174.900 0.490 0.000 0.983 341 G CA 0.608 45.908 45.100 0.333 0.000 0.676 341 G HN 0.983 nan 8.290 nan 0.000 0.528 342 A N -0.785 122.336 122.820 0.502 0.000 2.386 342 A HA 0.872 5.191 4.320 -0.001 0.000 0.311 342 A C 0.011 177.685 177.584 0.149 0.000 1.068 342 A CA 0.484 52.728 52.037 0.346 0.000 0.743 342 A CB 1.915 21.073 19.000 0.264 0.000 1.258 342 A HN 1.431 nan 8.150 nan 0.000 0.429 343 S N 1.841 117.431 115.700 -0.183 0.000 2.566 343 S HA 0.530 4.999 4.470 -0.001 0.000 0.324 343 S C -0.556 174.028 174.600 -0.026 0.000 1.081 343 S CA -0.470 57.500 58.200 -0.383 0.000 1.105 343 S CB -0.230 62.343 63.200 -1.046 0.000 0.981 343 S HN 0.735 nan 8.310 nan 0.000 0.464 344 F N 4.718 124.683 119.950 0.025 0.000 2.629 344 F HA 0.373 4.899 4.527 -0.001 0.000 0.369 344 F C 0.670 176.507 175.800 0.061 0.000 1.125 344 F CA 0.974 59.030 58.000 0.093 0.000 1.330 344 F CB 0.726 39.836 39.000 0.184 0.000 1.071 344 F HN 0.476 nan 8.300 nan 0.000 0.595 345 T N 7.325 121.320 114.554 -0.931 0.000 3.293 345 T HA 0.377 4.727 4.350 -0.001 0.000 0.320 345 T C -2.910 171.207 174.700 -0.971 0.000 0.995 345 T CA -1.676 60.012 62.100 -0.685 0.000 1.041 345 T CB 0.901 69.570 68.868 -0.333 0.000 1.058 345 T HN 0.342 nan 8.240 nan 0.000 0.453 346 P HA 0.112 nan 4.420 nan 0.000 0.257 346 P C -2.379 174.669 177.300 -0.420 0.000 1.162 346 P CA -0.535 62.286 63.100 -0.465 0.000 0.762 346 P CB -0.052 31.443 31.700 -0.342 0.000 0.753 347 P HA 0.065 nan 4.420 nan 0.000 0.279 347 P C 0.656 177.860 177.300 -0.160 0.000 1.252 347 P CA -0.251 62.754 63.100 -0.159 0.000 0.811 347 P CB 0.772 32.447 31.700 -0.041 0.000 1.035 348 T N -1.725 112.760 114.554 -0.114 0.000 2.904 348 T HA 0.013 4.363 4.350 -0.001 0.000 0.267 348 T C 1.000 175.750 174.700 0.083 0.000 1.059 348 T CA 0.626 62.692 62.100 -0.056 0.000 1.137 348 T CB -0.485 68.359 68.868 -0.039 0.000 0.879 348 T HN 0.184 nan 8.240 nan 0.000 0.467 349 V N 4.938 124.886 119.914 0.058 0.000 2.370 349 V HA 0.334 4.453 4.120 -0.001 0.000 0.279 349 V C -2.240 173.907 176.094 0.088 0.000 1.029 349 V CA -2.543 59.795 62.300 0.064 0.000 0.870 349 V CB 1.144 32.987 31.823 0.034 0.000 0.984 349 V HN 0.246 nan 8.190 nan 0.000 0.451 350 P HA 0.035 nan 4.420 nan 0.000 0.266 350 P C 1.140 178.487 177.300 0.078 0.000 1.195 350 P CA 0.201 63.346 63.100 0.075 0.000 0.768 350 P CB 1.033 32.724 31.700 -0.014 0.000 0.838 351 V N 3.816 123.765 119.914 0.058 0.000 2.380 351 V HA -0.247 3.873 4.120 -0.001 0.000 0.251 351 V C 2.473 178.600 176.094 0.055 0.000 1.063 351 V CA 1.612 63.940 62.300 0.046 0.000 1.055 351 V CB -1.137 30.692 31.823 0.010 0.000 0.657 351 V HN 0.563 nan 8.190 nan 0.000 0.455 352 L N -0.797 120.475 121.223 0.081 0.000 2.046 352 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 352 L C 2.401 179.396 176.870 0.209 0.000 1.077 352 L CA 1.743 56.649 54.840 0.109 0.000 0.747 352 L CB -0.198 41.965 42.059 0.172 0.000 0.896 352 L HN 0.361 nan 8.230 nan 0.000 0.432 353 L N -0.076 121.336 121.223 0.315 0.000 2.093 353 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 353 L C 2.513 179.469 176.870 0.144 0.000 1.085 353 L CA 1.616 56.631 54.840 0.292 0.000 0.755 353 L CB -0.528 41.619 42.059 0.146 0.000 0.904 353 L HN 0.290 nan 8.230 nan 0.000 0.435 354 Q N -0.624 119.236 119.800 0.100 0.000 2.061 354 Q HA -0.222 4.118 4.340 -0.001 0.000 0.204 354 Q C 2.247 178.285 176.000 0.063 0.000 0.984 354 Q CA 2.239 58.083 55.803 0.068 0.000 0.846 354 Q CB -0.246 28.526 28.738 0.057 0.000 0.902 354 Q HN 0.560 nan 8.270 nan 0.000 0.421 355 I N 0.307 120.914 120.570 0.063 0.000 2.252 355 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 355 I C 2.127 178.273 176.117 0.049 0.000 1.102 355 I CA 0.984 62.313 61.300 0.048 0.000 1.385 355 I CB -0.231 37.789 38.000 0.033 0.000 1.064 355 I HN 0.201 nan 8.210 nan 0.000 0.414 356 I N 0.139 120.749 120.570 0.067 0.000 2.394 356 I HA -0.212 3.958 4.170 -0.001 0.000 0.251 356 I C 2.132 178.287 176.117 0.063 0.000 1.136 356 I CA 1.110 62.448 61.300 0.063 0.000 1.425 356 I CB -0.273 37.785 38.000 0.095 0.000 1.079 356 I HN 0.112 nan 8.210 nan 0.000 0.425 357 S N 0.038 115.779 115.700 0.069 0.000 2.603 357 S HA 0.166 4.635 4.470 -0.001 0.000 0.220 357 S C 1.443 176.066 174.600 0.040 0.000 0.967 357 S CA 0.819 59.051 58.200 0.053 0.000 0.920 357 S CB 0.448 63.679 63.200 0.052 0.000 0.773 357 S HN 0.727 nan 8.310 nan 0.000 0.529 358 G N 0.692 109.515 108.800 0.039 0.000 2.485 358 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.181 358 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.181 358 G C 0.182 175.101 174.900 0.032 0.000 0.999 358 G CA -0.378 44.740 45.100 0.032 0.000 0.721 358 G HN 0.701 nan 8.290 nan 0.000 0.486 359 A N 0.640 123.481 122.820 0.036 0.000 2.573 359 A HA 0.444 4.763 4.320 -0.001 0.000 0.250 359 A C 1.123 178.728 177.584 0.035 0.000 1.049 359 A CA 1.752 53.811 52.037 0.036 0.000 0.767 359 A CB 0.353 19.378 19.000 0.041 0.000 0.965 359 A HN 0.686 nan 8.150 nan 0.000 0.514 360 Q N 1.872 121.691 119.800 0.032 0.000 2.378 360 Q HA 0.030 4.369 4.340 -0.001 0.000 0.216 360 Q C 0.326 176.347 176.000 0.035 0.000 0.892 360 Q CA 0.767 56.590 55.803 0.032 0.000 0.931 360 Q CB 0.119 28.873 28.738 0.026 0.000 1.086 360 Q HN 1.003 nan 8.270 nan 0.000 0.528 361 N N -2.517 116.205 118.700 0.037 0.000 3.308 361 N HA 0.138 4.878 4.740 -0.001 0.000 0.276 361 N C 0.134 175.670 175.510 0.044 0.000 1.533 361 N CA 0.163 53.237 53.050 0.041 0.000 0.878 361 N CB 0.231 38.737 38.487 0.033 0.000 1.566 361 N HN -0.066 nan 8.380 nan 0.000 0.546 362 A N -0.193 122.653 122.820 0.044 0.000 1.902 362 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 362 A C 2.460 180.055 177.584 0.020 0.000 1.181 362 A CA 3.530 55.589 52.037 0.037 0.000 0.623 362 A CB -1.642 17.369 19.000 0.017 0.000 0.818 362 A HN 0.930 nan 8.150 nan 0.000 0.443 363 Q N -0.152 119.656 119.800 0.014 0.000 2.135 363 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 363 Q C 1.732 177.742 176.000 0.017 0.000 0.981 363 Q CA 2.093 57.902 55.803 0.011 0.000 0.856 363 Q CB -0.918 27.826 28.738 0.011 0.000 0.902 363 Q HN 0.795 nan 8.270 nan 0.000 0.425 364 D N -0.170 120.244 120.400 0.023 0.000 2.091 364 D HA 0.052 4.692 4.640 -0.001 0.000 0.199 364 D C 0.798 177.116 176.300 0.029 0.000 0.980 364 D CA 0.199 54.213 54.000 0.024 0.000 0.831 364 D CB -0.384 40.432 40.800 0.026 0.000 0.987 364 D HN 0.517 nan 8.370 nan 0.000 0.460 365 L N 1.603 122.850 121.223 0.039 0.000 2.593 365 L HA -0.041 4.299 4.340 -0.001 0.000 0.287 365 L C 0.423 177.323 176.870 0.050 0.000 1.243 365 L CA 0.237 55.107 54.840 0.050 0.000 0.890 365 L CB 0.171 42.270 42.059 0.067 0.000 1.134 365 L HN -0.079 nan 8.230 nan 0.000 0.502 366 L N 5.211 126.464 121.223 0.050 0.000 2.330 366 L HA 0.556 4.896 4.340 -0.001 0.000 0.271 366 L C -2.064 174.847 176.870 0.069 0.000 1.013 366 L CA -2.023 52.840 54.840 0.040 0.000 0.816 366 L CB 1.932 43.996 42.059 0.009 0.000 1.287 366 L HN 0.419 nan 8.230 nan 0.000 0.435 367 P HA 0.045 nan 4.420 nan 0.000 0.275 367 P C -0.535 176.799 177.300 0.058 0.000 1.228 367 P CA -0.307 62.800 63.100 0.012 0.000 0.786 367 P CB 1.452 33.104 31.700 -0.080 0.000 0.927 368 S N 0.943 116.661 115.700 0.031 0.000 2.562 368 S HA 0.385 4.855 4.470 -0.001 0.000 0.281 368 S C 1.512 176.140 174.600 0.047 0.000 1.333 368 S CA 1.111 59.330 58.200 0.032 0.000 1.052 368 S CB -1.071 62.141 63.200 0.020 0.000 0.884 368 S HN 0.871 nan 8.310 nan 0.000 0.506 369 G N 3.156 111.969 108.800 0.021 0.000 2.225 369 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.254 369 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.254 369 G C 0.712 175.650 174.900 0.063 0.000 0.988 369 G CA 0.542 45.658 45.100 0.026 0.000 0.625 369 G HN 0.804 nan 8.290 nan 0.000 0.527 370 S N -0.681 115.098 115.700 0.131 0.000 2.559 370 S HA 0.495 4.965 4.470 -0.001 0.000 0.226 370 S C 0.384 175.160 174.600 0.292 0.000 1.000 370 S CA 0.499 58.873 58.200 0.291 0.000 0.948 370 S CB 1.269 64.753 63.200 0.473 0.000 0.870 370 S HN 0.560 nan 8.310 nan 0.000 0.497 371 V N 2.201 122.175 119.914 0.100 0.000 2.555 371 V HA 0.534 4.654 4.120 -0.001 0.000 0.302 371 V C -1.301 174.792 176.094 -0.002 0.000 1.038 371 V CA -0.741 61.662 62.300 0.173 0.000 0.887 371 V CB 1.064 32.974 31.823 0.146 0.000 0.991 371 V HN 0.270 nan 8.190 nan 0.000 0.434 372 Y N 0.949 121.431 120.300 0.303 0.000 2.409 372 Y HA 0.550 5.099 4.550 -0.001 0.000 0.343 372 Y C 0.579 176.608 175.900 0.215 0.000 0.973 372 Y CA -0.699 57.565 58.100 0.272 0.000 1.064 372 Y CB 2.203 40.891 38.460 0.380 0.000 1.207 372 Y HN 0.551 nan 8.280 nan 0.000 0.452 373 S N 3.288 119.133 115.700 0.241 0.000 2.537 373 S HA 0.573 5.042 4.470 -0.001 0.000 0.275 373 S C -1.026 173.637 174.600 0.104 0.000 1.272 373 S CA -0.430 57.864 58.200 0.156 0.000 1.050 373 S CB 0.462 63.719 63.200 0.096 0.000 0.961 373 S HN 0.332 nan 8.310 nan 0.000 0.496 374 L N 5.344 126.617 121.223 0.083 0.000 2.376 374 L HA 0.495 4.834 4.340 -0.001 0.000 0.275 374 L C -2.250 174.637 176.870 0.027 0.000 0.987 374 L CA -2.048 52.795 54.840 0.005 0.000 0.828 374 L CB 1.740 43.788 42.059 -0.019 0.000 1.249 374 L HN 0.379 nan 8.230 nan 0.000 0.409 375 P HA 0.195 nan 4.420 nan 0.000 0.275 375 P C -0.437 176.866 177.300 0.005 0.000 1.228 375 P CA -0.361 62.741 63.100 0.002 0.000 0.786 375 P CB 1.025 32.714 31.700 -0.019 0.000 0.927 376 S N 1.456 117.174 115.700 0.030 0.000 2.600 376 S HA 0.066 4.536 4.470 -0.001 0.000 0.265 376 S C 0.633 175.240 174.600 0.012 0.000 1.325 376 S CA -0.328 57.897 58.200 0.042 0.000 1.002 376 S CB -0.503 62.733 63.200 0.061 0.000 0.921 376 S HN 0.649 nan 8.310 nan 0.000 0.554 377 N N -0.192 118.518 118.700 0.017 0.000 2.686 377 N HA -0.183 4.557 4.740 -0.001 0.000 0.261 377 N C -0.590 174.901 175.510 -0.032 0.000 1.001 377 N CA 0.953 54.002 53.050 -0.001 0.000 0.764 377 N CB -1.473 37.020 38.487 0.009 0.000 0.898 377 N HN 1.153 nan 8.380 nan 0.000 0.544 378 A N 0.734 123.513 122.820 -0.068 0.000 2.556 378 A HA 0.607 4.926 4.320 -0.001 0.000 0.294 378 A C -1.246 176.237 177.584 -0.168 0.000 1.091 378 A CA -0.788 51.187 52.037 -0.104 0.000 0.704 378 A CB 1.182 20.116 19.000 -0.111 0.000 1.300 378 A HN 0.323 nan 8.150 nan 0.000 0.406 379 D N 1.138 121.437 120.400 -0.167 0.000 2.198 379 D HA 0.547 5.187 4.640 -0.001 0.000 0.245 379 D C -0.527 175.588 176.300 -0.308 0.000 1.079 379 D CA 0.435 54.310 54.000 -0.208 0.000 0.854 379 D CB 1.419 42.146 40.800 -0.121 0.000 1.148 379 D HN 0.418 nan 8.370 nan 0.000 0.456 380 I N 0.968 121.239 120.570 -0.498 0.000 2.509 380 I HA 0.281 4.451 4.170 -0.001 0.000 0.293 380 I C 0.081 175.948 176.117 -0.417 0.000 1.020 380 I CA -0.767 60.169 61.300 -0.606 0.000 1.088 380 I CB 2.276 39.561 38.000 -1.191 0.000 1.267 380 I HN 0.205 nan 8.210 nan 0.000 0.430 381 E N 6.896 126.941 120.200 -0.260 0.000 2.224 381 E HA 0.636 4.986 4.350 -0.001 0.000 0.265 381 E C -1.696 174.817 176.600 -0.144 0.000 0.878 381 E CA -0.529 55.793 56.400 -0.129 0.000 0.759 381 E CB 1.924 31.582 29.700 -0.069 0.000 1.164 381 E HN 0.516 nan 8.360 nan 0.000 0.414 382 I N 2.917 123.410 120.570 -0.129 0.000 2.569 382 I HA 0.343 4.512 4.170 -0.001 0.000 0.296 382 I C -0.586 175.277 176.117 -0.423 0.000 1.028 382 I CA -0.842 60.285 61.300 -0.289 0.000 1.082 382 I CB 2.217 40.056 38.000 -0.267 0.000 1.264 382 I HN 0.491 nan 8.210 nan 0.000 0.429 383 S N 4.116 119.472 115.700 -0.573 0.000 2.500 383 S HA 0.662 5.132 4.470 -0.001 0.000 0.301 383 S C -0.874 173.245 174.600 -0.803 0.000 1.092 383 S CA -0.645 57.262 58.200 -0.488 0.000 1.030 383 S CB 1.119 64.181 63.200 -0.230 0.000 1.031 383 S HN 0.388 nan 8.310 nan 0.000 0.483 384 F N 1.456 121.197 119.950 -0.348 0.000 2.389 384 F HA 0.403 4.930 4.527 -0.000 0.000 0.327 384 F C -2.639 172.861 175.800 -0.500 0.000 1.204 384 F CA -2.263 55.377 58.000 -0.599 0.000 1.209 384 F CB 0.733 39.444 39.000 -0.481 0.000 1.460 384 F HN 0.297 nan 8.300 nan 0.000 0.537 385 P HA -0.011 nan 4.420 nan 0.000 0.260 385 P C 0.022 177.261 177.300 -0.103 0.000 1.207 385 P CA 0.295 63.291 63.100 -0.173 0.000 0.780 385 P CB 0.510 32.125 31.700 -0.142 0.000 0.789 386 A N 4.115 126.968 122.820 0.056 0.000 2.524 386 A HA 0.312 4.632 4.320 -0.001 0.000 0.250 386 A C 0.446 178.137 177.584 0.178 0.000 1.078 386 A CA 0.846 53.005 52.037 0.203 0.000 0.761 386 A CB -0.383 18.719 19.000 0.169 0.000 1.012 386 A HN 0.447 nan 8.150 nan 0.000 0.500 387 T N 2.023 116.740 114.554 0.272 0.000 2.876 387 T HA 0.522 4.871 4.350 -0.001 0.000 0.289 387 T C 1.015 175.842 174.700 0.212 0.000 1.014 387 T CA 0.237 62.462 62.100 0.207 0.000 0.986 387 T CB 1.869 70.872 68.868 0.225 0.000 1.021 387 T HN 0.916 nan 8.240 nan 0.000 0.458 388 A N 1.441 124.344 122.820 0.140 0.000 2.235 388 A HA 0.419 4.739 4.320 -0.001 0.000 0.208 388 A C 2.141 179.790 177.584 0.107 0.000 1.172 388 A CA 0.850 52.953 52.037 0.111 0.000 0.786 388 A CB -0.576 18.465 19.000 0.068 0.000 0.804 388 A HN 0.902 nan 8.150 nan 0.000 0.479 389 A N -0.588 122.314 122.820 0.137 0.000 2.172 389 A HA 0.422 4.741 4.320 -0.001 0.000 0.216 389 A C 1.304 178.984 177.584 0.160 0.000 1.154 389 A CA 1.080 53.198 52.037 0.135 0.000 0.701 389 A CB -0.349 18.735 19.000 0.140 0.000 0.789 389 A HN 1.077 nan 8.150 nan 0.000 0.465 390 A N 0.808 123.733 122.820 0.176 0.000 2.508 390 A HA 0.627 4.946 4.320 -0.001 0.000 0.336 390 A C -2.871 174.779 177.584 0.110 0.000 1.360 390 A CA -1.584 50.525 52.037 0.120 0.000 0.841 390 A CB 0.227 19.307 19.000 0.133 0.000 1.136 390 A HN 0.146 nan 8.150 nan 0.000 0.489 391 P HA 0.394 nan 4.420 nan 0.000 0.269 391 P C 1.082 178.286 177.300 -0.160 0.000 1.215 391 P CA 1.446 64.403 63.100 -0.238 0.000 0.780 391 P CB 0.891 32.305 31.700 -0.475 0.000 0.898 392 G N 0.030 108.734 108.800 -0.160 0.000 2.184 392 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.206 392 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.206 392 G C 0.389 175.081 174.900 -0.345 0.000 0.995 392 G CA -0.108 44.934 45.100 -0.097 0.000 0.651 392 G HN 0.797 nan 8.290 nan 0.000 0.511 393 A N 1.047 123.571 122.820 -0.494 0.000 2.507 393 A HA 0.582 4.902 4.320 -0.001 0.000 0.235 393 A C -1.026 176.460 177.584 -0.163 0.000 1.070 393 A CA 0.069 51.802 52.037 -0.507 0.000 0.768 393 A CB 0.008 18.907 19.000 -0.167 0.000 1.011 393 A HN 0.377 nan 8.150 nan 0.000 0.502 394 P HA 0.223 nan 4.420 nan 0.000 0.286 394 P C -1.040 176.210 177.300 -0.084 0.000 1.269 394 P CA -0.083 62.982 63.100 -0.058 0.000 0.787 394 P CB 0.563 32.307 31.700 0.073 0.000 0.920 395 H N 3.857 123.027 119.070 0.166 0.000 2.723 395 H HA 0.250 4.806 4.556 -0.001 0.000 0.294 395 H C -2.107 173.282 175.328 0.101 0.000 1.079 395 H CA -2.018 54.141 56.048 0.185 0.000 1.411 395 H CB 0.283 30.252 29.762 0.345 0.000 1.439 395 H HN 0.237 nan 8.280 nan 0.000 0.474 396 P HA 0.118 nan 4.420 nan 0.000 0.286 396 P C -0.486 176.796 177.300 -0.030 0.000 1.321 396 P CA -0.171 62.929 63.100 -0.001 0.000 0.790 396 P CB -0.089 31.648 31.700 0.060 0.000 0.897 397 F N 2.823 122.634 119.950 -0.231 0.000 2.385 397 F HA 0.404 4.930 4.527 -0.001 0.000 0.336 397 F C 1.034 176.758 175.800 -0.126 0.000 1.100 397 F CA 0.185 57.991 58.000 -0.324 0.000 1.116 397 F CB 0.910 39.461 39.000 -0.748 0.000 1.166 397 F HN 0.350 nan 8.300 nan 0.000 0.511 398 H N 3.675 122.607 119.070 -0.230 0.000 2.600 398 H HA 0.537 5.093 4.556 -0.000 0.000 0.357 398 H C -1.763 173.486 175.328 -0.133 0.000 1.106 398 H CA -0.835 55.147 56.048 -0.110 0.000 1.193 398 H CB 1.362 31.054 29.762 -0.116 0.000 1.594 398 H HN 0.614 nan 8.280 nan 0.000 0.526 399 L N 5.813 126.800 121.223 -0.393 0.000 2.333 399 L HA 0.375 4.715 4.340 -0.001 0.000 0.280 399 L C -0.424 176.117 176.870 -0.548 0.000 1.004 399 L CA -0.683 53.955 54.840 -0.338 0.000 0.820 399 L CB 0.868 42.888 42.059 -0.064 0.000 1.247 399 L HN 0.770 nan 8.230 nan 0.000 0.416 400 H N 2.801 121.635 119.070 -0.394 0.000 2.505 400 H HA 0.179 4.734 4.556 -0.001 0.000 0.355 400 H C 0.942 176.062 175.328 -0.348 0.000 1.179 400 H CA 0.686 56.616 56.048 -0.197 0.000 1.343 400 H CB 1.667 31.511 29.762 0.136 0.000 1.501 400 H HN 0.926 nan 8.280 nan 0.000 0.569 401 G N 1.291 109.811 108.800 -0.466 0.000 2.220 401 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.269 401 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.269 401 G C 0.156 174.352 174.900 -1.174 0.000 0.977 401 G CA 0.569 44.842 45.100 -1.379 0.000 0.634 401 G HN 0.773 nan 8.290 nan 0.000 0.539 402 H N -0.720 118.140 119.070 -0.349 0.000 3.008 402 H HA 0.688 5.244 4.556 -0.001 0.000 0.354 402 H C -0.063 175.270 175.328 0.009 0.000 1.252 402 H CA -0.107 55.721 56.048 -0.368 0.000 1.117 402 H CB 1.599 31.135 29.762 -0.376 0.000 1.857 402 H HN 0.656 nan 8.280 nan 0.000 0.547 403 A N 1.686 124.623 122.820 0.195 0.000 2.317 403 A HA 0.631 4.951 4.320 -0.001 0.000 0.327 403 A C -0.861 176.883 177.584 0.266 0.000 1.178 403 A CA -0.569 51.596 52.037 0.214 0.000 0.817 403 A CB 0.122 19.325 19.000 0.339 0.000 1.189 403 A HN 0.448 nan 8.150 nan 0.000 0.489 404 F N 0.341 120.415 119.950 0.206 0.000 2.575 404 F HA 0.852 5.379 4.527 -0.001 0.000 0.330 404 F C 0.202 175.862 175.800 -0.232 0.000 1.056 404 F CA -1.445 56.618 58.000 0.106 0.000 0.964 404 F CB 1.329 40.372 39.000 0.072 0.000 1.258 404 F HN 0.628 nan 8.300 nan 0.000 0.484 405 A N 1.205 123.835 122.820 -0.316 0.000 2.290 405 A HA 0.620 4.939 4.320 -0.001 0.000 0.310 405 A C -0.790 176.720 177.584 -0.123 0.000 1.202 405 A CA -0.712 50.821 52.037 -0.840 0.000 0.837 405 A CB 0.554 18.913 19.000 -1.068 0.000 1.139 405 A HN 0.732 nan 8.150 nan 0.000 0.509 406 V N 5.351 125.219 119.914 -0.077 0.000 2.267 406 V HA 0.068 4.187 4.120 -0.001 0.000 0.254 406 V C 1.528 177.578 176.094 -0.074 0.000 1.144 406 V CA 0.344 62.661 62.300 0.028 0.000 0.992 406 V CB 0.060 31.918 31.823 0.058 0.000 1.199 406 V HN 0.909 nan 8.190 nan 0.000 0.493 407 V N 1.819 121.682 119.914 -0.086 0.000 2.626 407 V HA 0.068 4.188 4.120 -0.001 0.000 0.252 407 V C 1.041 176.972 176.094 -0.272 0.000 1.067 407 V CA 1.093 63.294 62.300 -0.165 0.000 1.081 407 V CB -0.434 31.320 31.823 -0.116 0.000 0.686 407 V HN 0.706 nan 8.190 nan 0.000 0.468 408 R N 0.192 120.531 120.500 -0.269 0.000 2.502 408 R HA 0.535 4.874 4.340 -0.001 0.000 0.298 408 R C -0.886 175.283 176.300 -0.217 0.000 1.018 408 R CA -0.151 55.708 56.100 -0.401 0.000 0.899 408 R CB 1.966 31.805 30.300 -0.768 0.000 1.181 408 R HN 0.424 nan 8.270 nan 0.000 0.444 409 S N 1.724 117.323 115.700 -0.168 0.000 2.672 409 S HA 0.520 4.990 4.470 -0.001 0.000 0.276 409 S C -0.171 174.378 174.600 -0.085 0.000 1.207 409 S CA -0.568 57.575 58.200 -0.096 0.000 1.002 409 S CB 1.623 64.786 63.200 -0.062 0.000 0.998 409 S HN 0.733 nan 8.310 nan 0.000 0.542 410 A N 0.640 123.425 122.820 -0.059 0.000 2.498 410 A HA 0.496 4.816 4.320 -0.001 0.000 0.239 410 A C 1.388 178.962 177.584 -0.016 0.000 1.068 410 A CA 0.280 52.294 52.037 -0.039 0.000 0.766 410 A CB -1.063 17.907 19.000 -0.050 0.000 1.003 410 A HN 1.851 nan 8.150 nan 0.000 0.497 411 G N 0.105 108.902 108.800 -0.006 0.000 2.160 411 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.251 411 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.251 411 G C 0.241 175.135 174.900 -0.010 0.000 1.008 411 G CA 0.879 45.982 45.100 0.005 0.000 0.724 411 G HN 1.995 nan 8.290 nan 0.000 0.514 412 S N -1.584 114.095 115.700 -0.036 0.000 2.541 412 S HA 0.716 5.186 4.470 -0.001 0.000 0.271 412 S C 0.813 175.365 174.600 -0.080 0.000 1.133 412 S CA 0.905 59.074 58.200 -0.051 0.000 0.876 412 S CB 1.558 64.717 63.200 -0.068 0.000 1.105 412 S HN 1.214 nan 8.310 nan 0.000 0.470 413 T N 0.384 114.906 114.554 -0.053 0.000 3.092 413 T HA 0.346 4.695 4.350 -0.001 0.000 0.258 413 T C 0.273 174.953 174.700 -0.034 0.000 1.031 413 T CA -0.093 61.987 62.100 -0.033 0.000 0.925 413 T CB -0.130 68.757 68.868 0.032 0.000 1.036 413 T HN 0.333 nan 8.240 nan 0.000 0.544 414 V N 1.871 121.729 119.914 -0.093 0.000 2.686 414 V HA 0.370 4.490 4.120 -0.001 0.000 0.295 414 V C -0.769 175.176 176.094 -0.248 0.000 1.057 414 V CA -0.739 61.522 62.300 -0.065 0.000 1.012 414 V CB 0.468 32.266 31.823 -0.042 0.000 1.006 414 V HN 0.437 nan 8.190 nan 0.000 0.477 415 Y N 2.979 123.193 120.300 -0.143 0.000 2.388 415 Y HA 0.372 4.921 4.550 -0.000 0.000 0.328 415 Y C 0.397 176.012 175.900 -0.475 0.000 0.963 415 Y CA -0.682 57.212 58.100 -0.344 0.000 1.240 415 Y CB 1.036 39.284 38.460 -0.354 0.000 1.118 415 Y HN 0.571 nan 8.280 nan 0.000 0.484 416 N N 2.945 121.450 118.700 -0.326 0.000 2.462 416 N HA 0.083 4.822 4.740 -0.001 0.000 0.242 416 N C -0.592 174.772 175.510 -0.242 0.000 1.010 416 N CA -0.134 52.800 53.050 -0.194 0.000 0.939 416 N CB 0.375 38.830 38.487 -0.053 0.000 1.127 416 N HN 0.507 nan 8.380 nan 0.000 0.509 417 Y N 1.164 121.525 120.300 0.101 0.000 2.457 417 Y HA 0.156 4.706 4.550 -0.001 0.000 0.263 417 Y C 1.410 177.363 175.900 0.088 0.000 1.164 417 Y CA -0.207 57.945 58.100 0.086 0.000 1.274 417 Y CB 0.532 39.035 38.460 0.072 0.000 1.097 417 Y HN 0.540 nan 8.280 nan 0.000 0.523 418 D N -0.917 119.599 120.400 0.193 0.000 2.514 418 D HA 0.024 4.664 4.640 -0.001 0.000 0.249 418 D C 1.061 177.452 176.300 0.151 0.000 1.036 418 D CA 0.746 54.841 54.000 0.158 0.000 0.911 418 D CB 0.154 41.027 40.800 0.122 0.000 1.145 418 D HN 0.118 nan 8.370 nan 0.000 0.495 419 N N -0.335 118.461 118.700 0.160 0.000 2.197 419 N HA 0.176 4.916 4.740 -0.001 0.000 0.228 419 N C -2.560 173.170 175.510 0.367 0.000 1.212 419 N CA -0.837 52.354 53.050 0.234 0.000 0.883 419 N CB 1.168 39.731 38.487 0.126 0.000 1.107 419 N HN 0.187 nan 8.380 nan 0.000 0.519 420 P HA 0.067 nan 4.420 nan 0.000 0.269 420 P C -0.137 177.239 177.300 0.127 0.000 1.209 420 P CA -0.100 63.055 63.100 0.091 0.000 0.776 420 P CB 0.789 32.473 31.700 -0.026 0.000 0.876 421 I N 0.938 121.545 120.570 0.061 0.000 3.004 421 I HA 0.324 4.494 4.170 -0.001 0.000 0.287 421 I C 0.499 176.675 176.117 0.099 0.000 1.144 421 I CA -0.468 60.916 61.300 0.140 0.000 1.353 421 I CB -0.793 37.243 38.000 0.060 0.000 1.417 421 I HN 0.179 nan 8.210 nan 0.000 0.602 422 F N 1.795 121.738 119.950 -0.013 0.000 2.522 422 F HA 0.803 5.330 4.527 -0.001 0.000 0.324 422 F C 0.479 176.167 175.800 -0.187 0.000 1.077 422 F CA -0.533 57.429 58.000 -0.063 0.000 0.944 422 F CB 1.573 40.568 39.000 -0.009 0.000 1.175 422 F HN 0.647 nan 8.300 nan 0.000 0.468 423 R N 0.112 120.441 120.500 -0.286 0.000 2.764 423 R HA 0.371 4.710 4.340 -0.001 0.000 0.276 423 R C -1.606 174.178 176.300 -0.860 0.000 1.021 423 R CA -0.708 55.141 56.100 -0.418 0.000 0.870 423 R CB 1.049 31.152 30.300 -0.328 0.000 1.293 423 R HN 0.542 nan 8.270 nan 0.000 0.469 424 D N -0.598 119.508 120.400 -0.490 0.000 2.474 424 D HA 0.198 4.838 4.640 -0.001 0.000 0.213 424 D C -0.298 176.151 176.300 0.248 0.000 1.120 424 D CA -0.046 53.809 54.000 -0.242 0.000 0.836 424 D CB 0.939 41.813 40.800 0.124 0.000 1.019 424 D HN 0.151 nan 8.370 nan 0.000 0.507 425 V N 0.911 120.887 119.914 0.105 0.000 2.577 425 V HA 0.575 4.694 4.120 -0.001 0.000 0.303 425 V C -0.997 175.212 176.094 0.191 0.000 1.042 425 V CA -1.067 61.373 62.300 0.234 0.000 0.872 425 V CB 2.183 34.041 31.823 0.059 0.000 0.998 425 V HN 0.055 nan 8.190 nan 0.000 0.423 426 V N 4.061 124.111 119.914 0.227 0.000 2.760 426 V HA 0.613 4.732 4.120 -0.001 0.000 0.309 426 V C 0.084 176.076 176.094 -0.171 0.000 1.077 426 V CA -0.213 62.125 62.300 0.063 0.000 0.910 426 V CB 2.546 34.504 31.823 0.224 0.000 1.008 426 V HN 0.969 nan 8.190 nan 0.000 0.424 427 S N 3.571 119.025 115.700 -0.411 0.000 2.510 427 S HA 0.168 4.638 4.470 -0.001 0.000 0.279 427 S C 1.070 175.507 174.600 -0.272 0.000 1.284 427 S CA 0.337 58.170 58.200 -0.611 0.000 1.059 427 S CB 0.749 63.160 63.200 -1.316 0.000 0.901 427 S HN 1.205 nan 8.310 nan 0.000 0.491 428 T N 2.647 117.129 114.554 -0.120 0.000 3.278 428 T HA 0.480 4.830 4.350 -0.001 0.000 0.251 428 T C 1.253 175.987 174.700 0.055 0.000 1.039 428 T CA 0.067 62.166 62.100 -0.003 0.000 0.935 428 T CB -1.026 67.921 68.868 0.132 0.000 1.034 428 T HN 1.348 nan 8.240 nan 0.000 0.575 429 G N 1.698 110.487 108.800 -0.018 0.000 2.598 429 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.269 429 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.269 429 G C -0.030 174.912 174.900 0.071 0.000 1.289 429 G CA 0.317 45.430 45.100 0.022 0.000 0.926 429 G HN 1.589 nan 8.290 nan 0.000 0.567 430 T N -3.579 111.018 114.554 0.070 0.000 2.883 430 T HA 0.687 5.036 4.350 -0.001 0.000 0.301 430 T C -2.240 172.505 174.700 0.075 0.000 1.158 430 T CA -0.602 61.545 62.100 0.079 0.000 1.007 430 T CB 2.452 71.352 68.868 0.053 0.000 1.186 430 T HN 0.314 nan 8.240 nan 0.000 0.499 431 P HA 0.107 nan 4.420 nan 0.000 0.226 431 P C 1.177 178.506 177.300 0.048 0.000 1.146 431 P CA 0.903 64.045 63.100 0.069 0.000 0.773 431 P CB -0.175 31.572 31.700 0.078 0.000 0.772 432 A N -0.736 122.108 122.820 0.040 0.000 2.147 432 A HA 0.309 4.629 4.320 -0.001 0.000 0.211 432 A C 1.984 179.585 177.584 0.029 0.000 1.160 432 A CA 0.939 52.994 52.037 0.031 0.000 0.781 432 A CB -0.651 18.364 19.000 0.026 0.000 0.842 432 A HN 0.163 nan 8.150 nan 0.000 0.475 433 A N -1.259 121.581 122.820 0.033 0.000 2.275 433 A HA 0.431 4.750 4.320 -0.001 0.000 0.212 433 A C 1.686 179.287 177.584 0.028 0.000 1.201 433 A CA 0.947 53.001 52.037 0.028 0.000 0.843 433 A CB -0.844 18.173 19.000 0.028 0.000 0.873 433 A HN 1.682 nan 8.150 nan 0.000 0.492 434 G N 0.488 109.308 108.800 0.033 0.000 2.283 434 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.280 434 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.280 434 G C -0.250 174.667 174.900 0.030 0.000 1.029 434 G CA 0.347 45.468 45.100 0.034 0.000 0.840 434 G HN 0.502 nan 8.290 nan 0.000 0.505 435 D N -0.363 120.055 120.400 0.030 0.000 2.390 435 D HA 0.219 4.859 4.640 -0.001 0.000 0.236 435 D C 0.901 177.210 176.300 0.015 0.000 1.189 435 D CA 0.524 54.535 54.000 0.017 0.000 0.887 435 D CB 0.560 41.376 40.800 0.026 0.000 1.198 435 D HN 0.267 nan 8.370 nan 0.000 0.444 436 N N 0.938 119.634 118.700 -0.008 0.000 2.581 436 N HA 0.004 4.743 4.740 -0.001 0.000 0.274 436 N C -1.421 174.075 175.510 -0.024 0.000 1.629 436 N CA -0.232 52.814 53.050 -0.008 0.000 0.884 436 N CB 0.047 38.549 38.487 0.024 0.000 1.423 436 N HN 0.000 nan 8.380 nan 0.000 0.507 437 V N 1.207 121.116 119.914 -0.008 0.000 2.726 437 V HA -0.005 4.114 4.120 -0.001 0.000 0.304 437 V C 0.494 176.626 176.094 0.064 0.000 1.115 437 V CA 0.863 63.163 62.300 0.000 0.000 1.264 437 V CB 0.161 31.996 31.823 0.020 0.000 0.867 437 V HN 0.383 nan 8.190 nan 0.000 0.498 438 T N 6.460 121.016 114.554 0.002 0.000 2.881 438 T HA 0.701 5.051 4.350 -0.001 0.000 0.290 438 T C -0.341 174.376 174.700 0.027 0.000 1.000 438 T CA -0.348 61.767 62.100 0.025 0.000 0.978 438 T CB 1.456 70.362 68.868 0.062 0.000 0.997 438 T HN 0.691 nan 8.240 nan 0.000 0.443 439 I N -0.242 120.348 120.570 0.033 0.000 3.002 439 I HA 0.855 5.024 4.170 -0.001 0.000 0.310 439 I C -0.974 175.191 176.117 0.080 0.000 1.087 439 I CA -1.368 59.953 61.300 0.034 0.000 1.017 439 I CB 2.356 40.249 38.000 -0.178 0.000 1.226 439 I HN 0.391 nan 8.210 nan 0.000 0.443 440 R N 2.560 123.146 120.500 0.143 0.000 2.698 440 R HA 0.738 5.077 4.340 -0.001 0.000 0.275 440 R C -1.803 174.679 176.300 0.303 0.000 1.001 440 R CA -0.629 55.552 56.100 0.135 0.000 0.896 440 R CB 2.663 32.997 30.300 0.058 0.000 1.218 440 R HN 0.753 nan 8.270 nan 0.000 0.462 441 F N -2.628 117.326 119.950 0.008 0.000 2.693 441 F HA 0.746 5.273 4.527 -0.001 0.000 0.309 441 F C -0.751 174.992 175.800 -0.095 0.000 1.129 441 F CA -1.186 56.814 58.000 0.001 0.000 0.948 441 F CB 0.886 39.870 39.000 -0.028 0.000 1.315 441 F HN 0.484 nan 8.300 nan 0.000 0.447 442 R N -0.020 120.469 120.500 -0.019 0.000 2.346 442 R HA 0.675 5.014 4.340 -0.001 0.000 0.311 442 R C -0.175 176.036 176.300 -0.149 0.000 0.983 442 R CA -0.436 55.589 56.100 -0.125 0.000 0.880 442 R CB 0.142 30.432 30.300 -0.016 0.000 1.100 442 R HN 1.025 nan 8.270 nan 0.000 0.453 443 T N -0.019 114.438 114.554 -0.162 0.000 2.978 443 T HA 0.158 4.507 4.350 -0.001 0.000 0.278 443 T C -0.101 174.655 174.700 0.093 0.000 0.945 443 T CA -0.011 62.068 62.100 -0.035 0.000 1.070 443 T CB 0.082 68.946 68.868 -0.007 0.000 0.948 443 T HN 0.729 nan 8.240 nan 0.000 0.617 444 D N 1.401 121.929 120.400 0.214 0.000 2.479 444 D HA 0.051 4.691 4.640 -0.001 0.000 0.218 444 D C -0.067 176.348 176.300 0.193 0.000 1.177 444 D CA -0.520 53.582 54.000 0.170 0.000 0.830 444 D CB 0.176 41.033 40.800 0.095 0.000 1.014 444 D HN 0.408 nan 8.370 nan 0.000 0.503 445 N N 1.358 120.240 118.700 0.303 0.000 2.609 445 N HA 0.288 5.028 4.740 -0.001 0.000 0.268 445 N C -3.030 172.762 175.510 0.470 0.000 1.106 445 N CA -1.487 51.696 53.050 0.221 0.000 0.823 445 N CB 1.985 40.352 38.487 -0.199 0.000 1.263 445 N HN -0.185 nan 8.380 nan 0.000 0.533 446 P HA 0.316 nan 4.420 nan 0.000 0.265 446 P C 0.042 177.521 177.300 0.299 0.000 1.193 446 P CA 0.526 63.812 63.100 0.310 0.000 0.765 446 P CB 0.648 32.456 31.700 0.180 0.000 0.823 447 G N 3.232 112.130 108.800 0.163 0.000 2.339 447 G HA2 0.111 4.070 3.960 -0.001 0.000 0.381 447 G HA3 0.111 4.070 3.960 -0.001 0.000 0.381 447 G C -3.400 171.198 174.900 -0.504 0.000 1.400 447 G CA -0.940 44.029 45.100 -0.218 0.000 1.002 447 G HN 0.325 nan 8.290 nan 0.000 0.633 448 P HA 0.480 nan 4.420 nan 0.000 0.287 448 P C -1.222 175.647 177.300 -0.718 0.000 1.281 448 P CA -0.127 62.722 63.100 -0.417 0.000 0.781 448 P CB 0.463 32.022 31.700 -0.236 0.000 0.903 449 W N 3.007 124.376 121.300 0.114 0.000 2.785 449 W HA 0.390 5.050 4.660 -0.001 0.000 0.333 449 W C -0.165 176.383 176.519 0.049 0.000 1.062 449 W CA -0.831 56.558 57.345 0.074 0.000 1.233 449 W CB 1.211 30.783 29.460 0.187 0.000 1.413 449 W HN 0.217 nan 8.180 nan 0.000 0.489 450 F N 3.572 123.464 119.950 -0.097 0.000 2.410 450 F HA 0.515 5.042 4.527 -0.001 0.000 0.334 450 F C -0.236 175.499 175.800 -0.109 0.000 1.134 450 F CA -1.231 56.629 58.000 -0.233 0.000 1.227 450 F CB 0.943 39.644 39.000 -0.499 0.000 1.194 450 F HN 0.107 nan 8.300 nan 0.000 0.571 451 L N 5.508 126.658 121.223 -0.121 0.000 2.482 451 L HA 0.438 4.777 4.340 -0.001 0.000 0.269 451 L C -1.495 175.149 176.870 -0.377 0.000 0.967 451 L CA -0.173 54.487 54.840 -0.300 0.000 0.851 451 L CB 1.259 43.038 42.059 -0.466 0.000 1.242 451 L HN 0.802 nan 8.230 nan 0.000 0.404 452 H N 1.606 120.408 119.070 -0.447 0.000 2.967 452 H HA 0.489 5.045 4.556 -0.001 0.000 0.318 452 H C -1.080 173.488 175.328 -1.267 0.000 1.375 452 H CA -0.914 54.647 56.048 -0.812 0.000 1.132 452 H CB 0.666 29.862 29.762 -0.943 0.000 1.848 452 H HN 0.701 nan 8.280 nan 0.000 0.524 453 C N 1.631 120.030 119.300 -1.502 0.000 2.593 453 C HA 0.147 4.606 4.460 -0.001 0.000 0.409 453 C C 1.281 176.084 174.990 -0.312 0.000 1.304 453 C CA -0.101 58.153 59.018 -1.274 0.000 2.007 453 C CB -0.730 26.486 27.740 -0.872 0.000 2.614 453 C HN 0.991 nan 8.230 nan 0.000 0.585 454 H N 4.067 123.017 119.070 -0.200 0.000 2.536 454 H HA 0.284 4.840 4.556 -0.001 0.000 0.276 454 H C 0.414 175.757 175.328 0.024 0.000 1.019 454 H CA 0.363 56.439 56.048 0.047 0.000 1.159 454 H CB -0.022 29.798 29.762 0.097 0.000 1.373 454 H HN 0.643 nan 8.280 nan 0.000 0.584 455 I N 1.558 122.135 120.570 0.012 0.000 2.311 455 I HA -0.085 4.085 4.170 -0.001 0.000 0.297 455 I C 1.300 177.316 176.117 -0.168 0.000 1.131 455 I CA -0.127 61.108 61.300 -0.109 0.000 1.289 455 I CB 0.672 38.391 38.000 -0.468 0.000 1.446 455 I HN 0.001 nan 8.210 nan 0.000 0.524 456 D N 4.556 124.811 120.400 -0.241 0.000 2.191 456 D HA -0.252 4.387 4.640 -0.001 0.000 0.195 456 D C 1.736 177.850 176.300 -0.309 0.000 1.003 456 D CA 2.089 55.836 54.000 -0.422 0.000 0.867 456 D CB 0.055 40.356 40.800 -0.831 0.000 0.926 456 D HN 0.470 nan 8.370 nan 0.000 0.450 457 F N -0.469 119.479 119.950 -0.002 0.000 2.269 457 F HA -0.058 4.468 4.527 -0.001 0.000 0.301 457 F C 2.351 178.458 175.800 0.512 0.000 1.082 457 F CA 1.080 59.196 58.000 0.192 0.000 1.360 457 F CB -0.600 38.572 39.000 0.286 0.000 1.041 457 F HN 0.301 nan 8.300 nan 0.000 0.512 458 H N -1.191 118.104 119.070 0.375 0.000 2.448 458 H HA 0.019 4.575 4.556 -0.001 0.000 0.292 458 H C 2.353 177.794 175.328 0.190 0.000 1.035 458 H CA 0.417 56.621 56.048 0.259 0.000 1.349 458 H CB 0.062 29.684 29.762 -0.234 0.000 1.425 458 H HN 0.212 nan 8.280 nan 0.000 0.539 459 L N 1.415 122.735 121.223 0.162 0.000 2.017 459 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 459 L C 2.763 179.721 176.870 0.147 0.000 1.073 459 L CA 1.811 56.661 54.840 0.018 0.000 0.745 459 L CB -0.545 41.377 42.059 -0.227 0.000 0.894 459 L HN 0.422 nan 8.230 nan 0.000 0.432 460 E N -0.071 120.214 120.200 0.140 0.000 2.267 460 E HA -0.171 4.178 4.350 -0.001 0.000 0.197 460 E C 1.720 178.456 176.600 0.227 0.000 0.998 460 E CA 1.298 57.793 56.400 0.158 0.000 0.830 460 E CB -0.765 28.993 29.700 0.097 0.000 0.751 460 E HN 0.723 nan 8.360 nan 0.000 0.491 461 A N -1.238 121.799 122.820 0.360 0.000 2.337 461 A HA 0.532 4.851 4.320 -0.001 0.000 0.227 461 A C 2.024 179.832 177.584 0.374 0.000 1.259 461 A CA 1.056 53.339 52.037 0.410 0.000 0.870 461 A CB -0.458 18.978 19.000 0.726 0.000 0.927 461 A HN 1.499 nan 8.150 nan 0.000 0.497 462 G N -1.711 107.298 108.800 0.348 0.000 2.157 462 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.239 462 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.239 462 G C 0.082 175.234 174.900 0.419 0.000 0.982 462 G CA 0.114 45.420 45.100 0.343 0.000 0.650 462 G HN 0.560 nan 8.290 nan 0.000 0.527 463 F N 2.357 122.415 119.950 0.180 0.000 2.651 463 F HA 0.653 5.179 4.527 -0.001 0.000 0.369 463 F C 0.722 176.497 175.800 -0.042 0.000 1.187 463 F CA -0.487 57.533 58.000 0.034 0.000 1.335 463 F CB -0.681 38.102 39.000 -0.363 0.000 1.707 463 F HN 0.630 nan 8.300 nan 0.000 0.637 464 A N 1.172 124.053 122.820 0.102 0.000 2.593 464 A HA 0.878 5.198 4.320 -0.001 0.000 0.290 464 A C -1.608 175.960 177.584 -0.028 0.000 1.126 464 A CA -0.634 51.290 52.037 -0.189 0.000 0.695 464 A CB 1.695 20.294 19.000 -0.669 0.000 1.290 464 A HN 0.098 nan 8.150 nan 0.000 0.414 465 V N -0.822 119.013 119.914 -0.132 0.000 3.216 465 V HA 0.622 4.741 4.120 -0.001 0.000 0.302 465 V C -1.146 174.974 176.094 0.043 0.000 1.286 465 V CA -0.469 61.871 62.300 0.067 0.000 1.048 465 V CB 2.332 34.201 31.823 0.078 0.000 1.081 465 V HN 0.921 nan 8.190 nan 0.000 0.442 466 V N 2.457 122.482 119.914 0.185 0.000 2.604 466 V HA 0.586 4.705 4.120 -0.001 0.000 0.305 466 V C -1.332 174.963 176.094 0.336 0.000 1.043 466 V CA -0.548 61.869 62.300 0.194 0.000 0.888 466 V CB 1.855 33.788 31.823 0.183 0.000 0.995 466 V HN 0.609 nan 8.190 nan 0.000 0.429 467 F N 2.934 123.067 119.950 0.305 0.000 2.388 467 F HA 0.659 5.186 4.527 -0.001 0.000 0.358 467 F C 0.616 176.574 175.800 0.263 0.000 1.122 467 F CA -1.511 56.682 58.000 0.322 0.000 1.056 467 F CB 1.532 40.749 39.000 0.361 0.000 1.155 467 F HN 0.524 nan 8.300 nan 0.000 0.461 468 A N 3.652 126.720 122.820 0.413 0.000 2.650 468 A HA 0.280 4.599 4.320 -0.001 0.000 0.320 468 A C 0.279 178.008 177.584 0.242 0.000 1.466 468 A CA -0.468 51.712 52.037 0.238 0.000 1.099 468 A CB -0.410 18.694 19.000 0.173 0.000 1.136 468 A HN 0.729 nan 8.150 nan 0.000 0.532 469 E N 2.620 122.994 120.200 0.291 0.000 2.223 469 E HA 0.208 4.557 4.350 -0.001 0.000 0.282 469 E C -0.601 176.125 176.600 0.209 0.000 1.046 469 E CA -0.249 56.333 56.400 0.303 0.000 0.857 469 E CB 0.318 30.335 29.700 0.528 0.000 1.055 469 E HN 0.666 nan 8.360 nan 0.000 0.409 470 D N 4.454 124.945 120.400 0.151 0.000 2.904 470 D HA -0.227 4.413 4.640 -0.001 0.000 0.231 470 D C 0.582 176.937 176.300 0.093 0.000 1.185 470 D CA 0.582 54.648 54.000 0.111 0.000 0.783 470 D CB -0.940 39.932 40.800 0.120 0.000 0.961 470 D HN 0.630 nan 8.370 nan 0.000 0.409 471 I N 0.541 121.160 120.570 0.081 0.000 2.185 471 I HA -0.247 3.922 4.170 -0.001 0.000 0.246 471 I C -0.469 175.678 176.117 0.050 0.000 1.088 471 I CA 1.222 62.559 61.300 0.062 0.000 1.347 471 I CB -1.032 37.004 38.000 0.059 0.000 1.041 471 I HN 0.349 nan 8.210 nan 0.000 0.415 472 P HA -0.154 nan 4.420 nan 0.000 0.215 472 P C 0.893 178.217 177.300 0.041 0.000 1.157 472 P CA 1.508 64.632 63.100 0.041 0.000 0.868 472 P CB -0.052 31.671 31.700 0.038 0.000 0.788 473 D N -1.455 118.975 120.400 0.051 0.000 2.347 473 D HA -0.038 4.601 4.640 -0.001 0.000 0.215 473 D C 1.893 178.224 176.300 0.052 0.000 0.976 473 D CA 0.332 54.364 54.000 0.053 0.000 0.884 473 D CB -0.542 40.297 40.800 0.065 0.000 0.915 473 D HN -0.020 nan 8.370 nan 0.000 0.526 474 V N 1.908 121.850 119.914 0.047 0.000 2.220 474 V HA -0.334 3.786 4.120 -0.001 0.000 0.250 474 V C 2.650 178.750 176.094 0.010 0.000 1.056 474 V CA 2.269 64.586 62.300 0.027 0.000 1.016 474 V CB -0.948 30.881 31.823 0.010 0.000 0.639 474 V HN 0.254 nan 8.190 nan 0.000 0.446 475 A N 0.544 123.369 122.820 0.008 0.000 1.908 475 A HA -0.238 4.082 4.320 -0.001 0.000 0.218 475 A C 2.532 180.118 177.584 0.002 0.000 1.181 475 A CA 2.739 54.774 52.037 -0.003 0.000 0.627 475 A CB -0.860 18.145 19.000 0.007 0.000 0.818 475 A HN 0.736 nan 8.150 nan 0.000 0.445 476 S N 0.051 115.761 115.700 0.017 0.000 2.368 476 S HA 0.093 4.563 4.470 -0.001 0.000 0.224 476 S C 2.097 176.717 174.600 0.033 0.000 1.029 476 S CA 1.220 59.433 58.200 0.023 0.000 0.988 476 S CB -0.700 62.517 63.200 0.027 0.000 0.838 476 S HN 0.918 nan 8.310 nan 0.000 0.462 477 A N 2.178 125.024 122.820 0.044 0.000 2.015 477 A HA 0.102 4.421 4.320 -0.001 0.000 0.219 477 A C 0.888 178.515 177.584 0.072 0.000 1.163 477 A CA 1.052 53.127 52.037 0.063 0.000 0.646 477 A CB -0.589 18.460 19.000 0.081 0.000 0.806 477 A HN 0.662 nan 8.150 nan 0.000 0.448 478 N N 0.276 119.008 118.700 0.053 0.000 3.012 478 N HA 0.355 5.095 4.740 -0.001 0.000 0.270 478 N C -3.110 172.431 175.510 0.051 0.000 1.469 478 N CA -1.145 51.955 53.050 0.083 0.000 0.928 478 N CB 0.791 39.307 38.487 0.049 0.000 1.219 478 N HN 0.119 nan 8.380 nan 0.000 0.492 479 P HA -0.055 nan 4.420 nan 0.000 0.264 479 P C -0.482 176.704 177.300 -0.191 0.000 1.193 479 P CA -0.193 62.882 63.100 -0.042 0.000 0.763 479 P CB 0.650 32.349 31.700 -0.002 0.000 0.810 480 V N 2.575 122.271 119.914 -0.363 0.000 2.435 480 V HA 0.637 4.757 4.120 -0.001 0.000 0.290 480 V C -2.032 173.770 176.094 -0.487 0.000 1.030 480 V CA -2.444 59.413 62.300 -0.739 0.000 0.881 480 V CB 1.062 32.401 31.823 -0.807 0.000 0.983 480 V HN 0.416 nan 8.190 nan 0.000 0.445 481 P HA 0.307 nan 4.420 nan 0.000 0.272 481 P C 0.892 178.125 177.300 -0.113 0.000 1.230 481 P CA 0.446 63.339 63.100 -0.344 0.000 0.788 481 P CB 1.191 32.612 31.700 -0.466 0.000 0.949 482 Q N 2.042 121.811 119.800 -0.051 0.000 2.077 482 Q HA -0.226 4.114 4.340 -0.001 0.000 0.206 482 Q C 2.307 178.343 176.000 0.060 0.000 0.989 482 Q CA 3.055 58.864 55.803 0.011 0.000 0.853 482 Q CB -1.780 26.958 28.738 -0.000 0.000 0.907 482 Q HN 0.678 nan 8.270 nan 0.000 0.418 483 A N -0.843 122.031 122.820 0.089 0.000 1.948 483 A HA -0.141 4.179 4.320 -0.001 0.000 0.220 483 A C 2.002 179.759 177.584 0.289 0.000 1.177 483 A CA 1.736 53.898 52.037 0.207 0.000 0.636 483 A CB -0.902 18.259 19.000 0.268 0.000 0.815 483 A HN 0.914 nan 8.150 nan 0.000 0.449 484 W N 1.659 123.040 121.300 0.135 0.000 2.381 484 W HA -0.194 4.466 4.660 -0.001 0.000 0.301 484 W C 2.531 178.974 176.519 -0.127 0.000 1.205 484 W CA 2.363 59.686 57.345 -0.036 0.000 1.285 484 W CB -0.240 29.157 29.460 -0.105 0.000 1.133 484 W HN 0.397 nan 8.180 nan 0.000 0.521 485 S N -0.728 115.049 115.700 0.128 0.000 2.507 485 S HA -0.145 4.325 4.470 -0.001 0.000 0.235 485 S C 1.158 175.664 174.600 -0.158 0.000 0.988 485 S CA 1.375 59.556 58.200 -0.032 0.000 0.944 485 S CB -0.418 62.852 63.200 0.117 0.000 0.762 485 S HN 0.256 nan 8.310 nan 0.000 0.526 486 D N 0.927 121.245 120.400 -0.137 0.000 2.327 486 D HA 0.158 4.797 4.640 -0.001 0.000 0.205 486 D C 1.695 177.860 176.300 -0.225 0.000 0.989 486 D CA 0.039 53.956 54.000 -0.138 0.000 0.873 486 D CB -0.194 40.562 40.800 -0.073 0.000 0.955 486 D HN 0.202 nan 8.370 nan 0.000 0.515 487 L N 1.203 122.217 121.223 -0.348 0.000 1.978 487 L HA -0.236 4.103 4.340 -0.001 0.000 0.218 487 L C 2.529 179.218 176.870 -0.302 0.000 1.075 487 L CA 1.417 56.006 54.840 -0.419 0.000 0.767 487 L CB -1.245 40.398 42.059 -0.693 0.000 0.890 487 L HN 0.151 nan 8.230 nan 0.000 0.434 488 c N -0.882 117.518 118.600 -0.333 0.000 2.429 488 c HA -0.098 4.471 4.570 -0.001 0.000 0.277 488 c C 0.342 174.393 174.090 -0.066 0.000 1.262 488 c CA 0.595 56.821 56.329 -0.173 0.000 1.733 488 c CB -1.579 40.802 42.510 -0.215 0.000 2.010 488 c HN 0.389 nan 8.230 nan 0.000 0.483 489 P HA -0.123 nan 4.420 nan 0.000 0.215 489 P C 1.780 179.044 177.300 -0.061 0.000 1.153 489 P CA 2.163 65.222 63.100 -0.067 0.000 0.853 489 P CB -0.244 31.412 31.700 -0.074 0.000 0.788 490 T N -2.643 111.854 114.554 -0.095 0.000 2.904 490 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 490 T C 1.753 176.420 174.700 -0.056 0.000 1.059 490 T CA 0.816 62.847 62.100 -0.115 0.000 1.137 490 T CB -0.796 67.907 68.868 -0.275 0.000 0.879 490 T HN -0.024 nan 8.240 nan 0.000 0.467 491 Y N 1.435 121.656 120.300 -0.133 0.000 2.243 491 Y HA 0.085 4.635 4.550 -0.001 0.000 0.293 491 Y C 2.015 177.901 175.900 -0.023 0.000 1.124 491 Y CA 1.478 59.535 58.100 -0.073 0.000 1.159 491 Y CB -0.137 38.269 38.460 -0.090 0.000 1.008 491 Y HN 0.215 nan 8.280 nan 0.000 0.527 492 D N 0.055 120.441 120.400 -0.024 0.000 2.269 492 D HA -0.068 4.571 4.640 -0.001 0.000 0.208 492 D C 2.061 178.291 176.300 -0.116 0.000 0.963 492 D CA 1.080 55.036 54.000 -0.074 0.000 0.864 492 D CB -0.176 40.634 40.800 0.017 0.000 0.936 492 D HN 0.487 nan 8.370 nan 0.000 0.505 493 A N 0.931 123.692 122.820 -0.099 0.000 2.066 493 A HA -0.062 4.258 4.320 -0.001 0.000 0.218 493 A C 1.305 178.830 177.584 -0.099 0.000 1.157 493 A CA 0.353 52.343 52.037 -0.078 0.000 0.670 493 A CB 0.033 19.003 19.000 -0.049 0.000 0.804 493 A HN -0.020 nan 8.150 nan 0.000 0.453 494 R N 1.854 122.260 120.500 -0.156 0.000 2.623 494 R HA 0.109 4.449 4.340 -0.001 0.000 0.271 494 R C -0.863 175.343 176.300 -0.157 0.000 1.043 494 R CA 0.017 56.022 56.100 -0.157 0.000 1.083 494 R CB 0.022 30.186 30.300 -0.227 0.000 0.974 494 R HN 0.385 nan 8.270 nan 0.000 0.436 495 D N 3.253 123.586 120.400 -0.113 0.000 2.341 495 D HA 0.080 4.719 4.640 -0.001 0.000 0.245 495 D C -1.348 174.880 176.300 -0.120 0.000 1.106 495 D CA -1.506 52.433 54.000 -0.103 0.000 0.905 495 D CB 1.048 41.798 40.800 -0.083 0.000 1.202 495 D HN 0.126 nan 8.370 nan 0.000 0.426 496 P HA -0.245 nan 4.420 nan 0.000 0.220 496 P C 1.231 178.446 177.300 -0.141 0.000 1.155 496 P CA 1.883 64.935 63.100 -0.080 0.000 0.880 496 P CB 0.247 31.914 31.700 -0.056 0.000 0.790 497 S N -2.705 112.840 115.700 -0.258 0.000 2.460 497 S HA 0.011 4.481 4.470 -0.001 0.000 0.226 497 S C 1.502 175.868 174.600 -0.389 0.000 1.057 497 S CA 0.306 58.155 58.200 -0.585 0.000 0.948 497 S CB -0.980 61.960 63.200 -0.433 0.000 0.822 497 S HN 0.062 nan 8.310 nan 0.000 0.512 498 D N 2.446 122.736 120.400 -0.184 0.000 2.389 498 D HA 0.009 4.649 4.640 -0.001 0.000 0.250 498 D C 0.495 176.773 176.300 -0.037 0.000 1.136 498 D CA 0.382 54.329 54.000 -0.088 0.000 0.945 498 D CB -0.129 40.634 40.800 -0.061 0.000 0.890 498 D HN 0.436 nan 8.370 nan 0.000 0.525 499 Q N 0.000 119.785 119.800 -0.025 0.000 2.315 499 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 499 Q CA 0.000 55.850 55.803 0.078 0.000 1.022 499 Q CB 0.000 28.895 28.738 0.262 0.000 1.108 499 Q HN 0.000 nan 8.270 nan 0.000 0.481