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 2ve0_1_A DATA FIRST_RESID 1 DATA SEQUENCE AIGPVADLTI SNGAVSPDGF SRQAILVNDV FPSPLITGNK GDRFQLNVID DATA SEQUENCE NMTNHTMLKS TSIHWHGFFQ HGTNWADGPA FVNQcPISTG HAFLYDFQVP DATA SEQUENCE DQAGTFWYHS HLSTQYcDGL RGPIVVYDPQ DPHKSLYDVD DDSTVITLAD DATA SEQUENCE WYHLAAKVGA AVPTADATLI NGLGRSISTL NADLAVITVT KGKRYRFRLV DATA SEQUENCE SLScDPNHTF SIDGHSLTVI EADSVNLKPQ TVDSIQIFAA QRYSFVLNAD DATA SEQUENCE QDVDNYWIRA LPNSGTRNFA GGVNSAILRY DGAAPVEPTT TQTPSTRPLV DATA SEQUENCE ESALTTLTAV PVPGKPTPGG VDLALNMAFG NGGNFTINGA SFTPPTVPVL DATA SEQUENCE LQILSGAQSA QDLLPSGSVY SLPANADIEI SLPAASAAFP HPFHLHGHTF DATA SEQUENCE AVVRSAGSST YNYANPVYRD VVSTGSPGDN VTIRFRTDNP GPWFLHCHID DATA SEQUENCE FHLEAGFAVV MAEDIPDVAA TNPVPQAWSD LcPTYDALSP DDQ 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.618 177.584 0.057 0.000 1.274 1 A CA 0.000 52.083 52.037 0.077 0.000 0.836 1 A CB 0.000 19.037 19.000 0.061 0.000 0.831 2 I N 0.239 120.851 120.570 0.070 0.000 2.562 2 I HA 0.715 4.983 4.170 0.163 0.000 0.301 2 I C 0.720 176.849 176.117 0.020 0.000 1.003 2 I CA 1.071 62.395 61.300 0.041 0.000 1.127 2 I CB 1.779 39.813 38.000 0.056 0.000 1.304 2 I HN 1.163 nan 8.210 nan 0.000 0.446 3 G N 6.251 115.027 108.800 -0.040 0.000 2.566 3 G HA2 -0.088 3.970 3.960 0.163 0.000 0.599 3 G HA3 -0.088 3.970 3.960 0.163 0.000 0.599 3 G C -2.317 172.458 174.900 -0.209 0.000 1.292 3 G CA -0.303 44.721 45.100 -0.127 0.000 0.922 3 G HN 0.479 nan 8.290 nan 0.000 0.514 4 P HA 0.146 nan 4.420 nan 0.000 0.229 4 P C 0.606 177.589 177.300 -0.529 0.000 1.160 4 P CA 0.905 63.520 63.100 -0.808 0.000 0.777 4 P CB 0.186 31.109 31.700 -1.296 0.000 0.814 5 V N 0.576 120.295 119.914 -0.325 0.000 2.435 5 V HA 0.723 4.941 4.120 0.163 0.000 0.290 5 V C 0.186 176.196 176.094 -0.140 0.000 1.030 5 V CA -0.475 61.694 62.300 -0.219 0.000 0.881 5 V CB 1.011 32.726 31.823 -0.179 0.000 0.983 5 V HN 0.284 nan 8.190 nan 0.000 0.445 6 A N 3.593 126.353 122.820 -0.100 0.000 2.590 6 A HA 0.596 5.014 4.320 0.163 0.000 0.294 6 A C -1.728 175.849 177.584 -0.012 0.000 1.046 6 A CA -0.766 51.242 52.037 -0.048 0.000 0.684 6 A CB 1.267 20.244 19.000 -0.039 0.000 1.279 6 A HN 0.632 nan 8.150 nan 0.000 0.415 7 D N 1.127 121.537 120.400 0.017 0.000 2.210 7 D HA 0.530 5.268 4.640 0.163 0.000 0.249 7 D C -0.673 175.672 176.300 0.075 0.000 1.078 7 D CA 0.270 54.301 54.000 0.052 0.000 0.875 7 D CB 1.503 42.334 40.800 0.052 0.000 1.175 7 D HN 0.411 nan 8.370 nan 0.000 0.440 8 L N 2.058 123.350 121.223 0.114 0.000 2.324 8 L HA 0.225 4.664 4.340 0.163 0.000 0.274 8 L C 0.514 177.480 176.870 0.160 0.000 1.012 8 L CA -0.564 54.359 54.840 0.137 0.000 0.859 8 L CB 1.589 43.743 42.059 0.159 0.000 1.224 8 L HN 0.239 nan 8.230 nan 0.000 0.429 9 T N 4.023 118.662 114.554 0.142 0.000 2.799 9 T HA 0.564 5.012 4.350 0.163 0.000 0.286 9 T C -0.203 174.591 174.700 0.158 0.000 0.973 9 T CA -0.553 61.633 62.100 0.143 0.000 1.035 9 T CB 0.510 69.448 68.868 0.116 0.000 0.932 9 T HN 0.246 nan 8.240 nan 0.000 0.469 10 I N 5.225 125.895 120.570 0.167 0.000 2.362 10 I HA 0.478 4.746 4.170 0.163 0.000 0.289 10 I C 0.522 176.734 176.117 0.159 0.000 0.994 10 I CA -0.618 60.788 61.300 0.177 0.000 1.158 10 I CB 0.809 38.925 38.000 0.194 0.000 1.315 10 I HN 0.889 nan 8.210 nan 0.000 0.451 11 S N 5.775 121.570 115.700 0.157 0.000 2.697 11 S HA 0.620 5.188 4.470 0.163 0.000 0.289 11 S C -0.711 173.978 174.600 0.148 0.000 1.149 11 S CA -1.030 57.254 58.200 0.140 0.000 0.850 11 S CB 2.578 65.850 63.200 0.120 0.000 1.151 11 S HN 0.543 nan 8.310 nan 0.000 0.491 12 N N -0.283 118.495 118.700 0.130 0.000 2.466 12 N HA 0.800 5.638 4.740 0.163 0.000 0.294 12 N C -0.130 175.446 175.510 0.111 0.000 1.129 12 N CA -0.257 52.869 53.050 0.127 0.000 0.931 12 N CB 1.728 40.282 38.487 0.112 0.000 1.193 12 N HN 1.081 nan 8.380 nan 0.000 0.500 13 G N -1.175 107.690 108.800 0.108 0.000 2.451 13 G HA2 0.524 4.582 3.960 0.163 0.000 0.292 13 G HA3 0.524 4.582 3.960 0.163 0.000 0.292 13 G C -1.818 173.121 174.900 0.066 0.000 1.427 13 G CA -0.623 44.526 45.100 0.082 0.000 0.792 13 G HN 0.596 nan 8.290 nan 0.000 0.498 14 A N -0.638 122.204 122.820 0.038 0.000 2.328 14 A HA 0.769 5.187 4.320 0.163 0.000 0.284 14 A C -0.305 177.271 177.584 -0.013 0.000 1.160 14 A CA -0.453 51.588 52.037 0.007 0.000 0.818 14 A CB 1.221 20.212 19.000 -0.014 0.000 1.087 14 A HN 1.504 nan 8.150 nan 0.000 0.504 15 V N 1.523 121.406 119.914 -0.051 0.000 2.876 15 V HA 0.716 4.934 4.120 0.163 0.000 0.312 15 V C 0.107 176.114 176.094 -0.146 0.000 1.085 15 V CA -0.095 62.112 62.300 -0.155 0.000 0.945 15 V CB 2.534 34.153 31.823 -0.340 0.000 1.017 15 V HN 1.008 nan 8.190 nan 0.000 0.428 16 S N 4.316 119.911 115.700 -0.175 0.000 2.512 16 S HA 0.374 4.943 4.470 0.163 0.000 0.161 16 S C -1.830 172.710 174.600 -0.100 0.000 1.383 16 S CA -0.517 57.626 58.200 -0.094 0.000 1.248 16 S CB 0.856 64.021 63.200 -0.058 0.000 1.488 16 S HN 0.690 nan 8.310 nan 0.000 0.382 17 P HA 0.089 nan 4.420 nan 0.000 0.229 17 P C 0.284 177.550 177.300 -0.057 0.000 1.160 17 P CA 0.913 63.909 63.100 -0.172 0.000 0.777 17 P CB -0.009 31.453 31.700 -0.397 0.000 0.814 18 D N -2.110 118.301 120.400 0.018 0.000 2.599 18 D HA 0.209 4.947 4.640 0.163 0.000 0.249 18 D C 1.196 177.577 176.300 0.136 0.000 1.313 18 D CA -0.162 53.902 54.000 0.106 0.000 0.815 18 D CB -0.393 40.528 40.800 0.201 0.000 1.077 18 D HN 0.173 nan 8.370 nan 0.000 0.492 19 G N 0.348 109.204 108.800 0.092 0.000 2.179 19 G HA2 -0.288 3.770 3.960 0.163 0.000 0.260 19 G HA3 -0.288 3.770 3.960 0.163 0.000 0.260 19 G C -0.166 174.799 174.900 0.108 0.000 0.977 19 G CA 0.217 45.367 45.100 0.084 0.000 0.641 19 G HN 0.455 nan 8.290 nan 0.000 0.533 20 F N 2.191 122.110 119.950 -0.052 0.000 2.415 20 F HA 0.734 5.358 4.527 0.163 0.000 0.348 20 F C 0.393 176.124 175.800 -0.115 0.000 1.119 20 F CA -0.489 57.425 58.000 -0.144 0.000 1.069 20 F CB 1.892 40.635 39.000 -0.429 0.000 1.124 20 F HN 0.045 nan 8.300 nan 0.000 0.472 21 S N 5.459 120.797 115.700 -0.604 0.000 2.513 21 S HA 0.723 5.291 4.470 0.163 0.000 0.276 21 S C -0.753 173.583 174.600 -0.440 0.000 1.254 21 S CA -0.514 57.452 58.200 -0.391 0.000 1.053 21 S CB 0.190 63.221 63.200 -0.283 0.000 0.958 21 S HN 0.808 nan 8.310 nan 0.000 0.491 22 R N 2.670 123.097 120.500 -0.122 0.000 2.629 22 R HA 0.412 4.850 4.340 0.163 0.000 0.266 22 R C -1.647 174.684 176.300 0.052 0.000 1.051 22 R CA -0.897 55.200 56.100 -0.005 0.000 0.895 22 R CB 0.165 30.566 30.300 0.167 0.000 1.246 22 R HN 0.332 nan 8.270 nan 0.000 0.459 23 Q N 0.935 120.766 119.800 0.051 0.000 2.286 23 Q HA 0.480 4.918 4.340 0.163 0.000 0.290 23 Q C -0.368 175.705 176.000 0.122 0.000 1.049 23 Q CA 0.950 56.796 55.803 0.072 0.000 0.923 23 Q CB 1.257 30.032 28.738 0.062 0.000 1.183 23 Q HN 0.808 nan 8.270 nan 0.000 0.383 24 A N 3.067 125.975 122.820 0.147 0.000 2.701 24 A HA 0.740 5.158 4.320 0.163 0.000 0.290 24 A C -0.960 176.764 177.584 0.233 0.000 1.267 24 A CA -0.706 51.469 52.037 0.230 0.000 0.709 24 A CB 0.875 20.082 19.000 0.345 0.000 1.352 24 A HN 0.593 nan 8.150 nan 0.000 0.519 25 I N 0.822 121.580 120.570 0.314 0.000 2.339 25 I HA 0.357 4.625 4.170 0.163 0.000 0.290 25 I C -1.200 175.115 176.117 0.331 0.000 0.994 25 I CA -0.400 61.072 61.300 0.288 0.000 1.191 25 I CB 1.269 39.433 38.000 0.273 0.000 1.343 25 I HN 0.339 nan 8.210 nan 0.000 0.458 26 L N 7.472 128.852 121.223 0.262 0.000 2.322 26 L HA 0.558 4.996 4.340 0.163 0.000 0.279 26 L C -0.322 176.679 176.870 0.218 0.000 1.036 26 L CA -0.467 54.522 54.840 0.249 0.000 0.807 26 L CB 1.859 44.037 42.059 0.198 0.000 1.226 26 L HN 0.237 nan 8.230 nan 0.000 0.433 27 V N 3.172 123.211 119.914 0.209 0.000 2.531 27 V HA 0.365 4.583 4.120 0.163 0.000 0.301 27 V C -0.067 176.130 176.094 0.172 0.000 1.034 27 V CA -0.919 61.505 62.300 0.206 0.000 0.865 27 V CB 1.608 33.588 31.823 0.262 0.000 0.995 27 V HN 0.801 nan 8.190 nan 0.000 0.424 28 N N 3.326 122.117 118.700 0.151 0.000 2.686 28 N HA -0.226 4.612 4.740 0.163 0.000 0.249 28 N C 0.507 176.085 175.510 0.113 0.000 1.082 28 N CA 1.557 54.680 53.050 0.121 0.000 0.725 28 N CB -0.792 37.763 38.487 0.113 0.000 1.009 28 N HN 1.022 nan 8.380 nan 0.000 0.545 29 D N -3.106 117.368 120.400 0.124 0.000 3.099 29 D HA -0.165 4.573 4.640 0.163 0.000 0.213 29 D C -0.386 175.987 176.300 0.122 0.000 1.121 29 D CA 1.312 55.381 54.000 0.115 0.000 0.951 29 D CB -1.049 39.806 40.800 0.091 0.000 1.102 29 D HN 0.463 nan 8.370 nan 0.000 0.423 30 V N -2.193 117.803 119.914 0.138 0.000 2.914 30 V HA 0.881 5.099 4.120 0.163 0.000 0.314 30 V C -0.421 175.791 176.094 0.196 0.000 1.084 30 V CA -1.051 61.335 62.300 0.144 0.000 0.963 30 V CB 2.332 34.217 31.823 0.102 0.000 1.025 30 V HN 0.079 nan 8.190 nan 0.000 0.432 31 F N 4.630 124.606 119.950 0.042 0.000 2.529 31 F HA 0.911 5.535 4.527 0.162 0.000 0.320 31 F C -2.232 173.554 175.800 -0.023 0.000 1.118 31 F CA -1.753 56.255 58.000 0.014 0.000 0.915 31 F CB 2.223 41.217 39.000 -0.011 0.000 1.161 31 F HN 0.657 nan 8.300 nan 0.000 0.445 32 P HA 0.301 nan 4.420 nan 0.000 0.277 32 P C -1.070 176.015 177.300 -0.359 0.000 1.271 32 P CA -0.480 62.010 63.100 -1.017 0.000 0.795 32 P CB 0.844 32.062 31.700 -0.804 0.000 1.101 33 S N 1.349 116.892 115.700 -0.260 0.000 2.562 33 S HA 0.240 4.808 4.470 0.163 0.000 0.281 33 S C -1.912 172.746 174.600 0.096 0.000 1.333 33 S CA -0.673 57.535 58.200 0.014 0.000 1.052 33 S CB -0.502 62.748 63.200 0.083 0.000 0.884 33 S HN 0.456 nan 8.310 nan 0.000 0.506 34 P HA 0.134 nan 4.420 nan 0.000 0.272 34 P C -0.383 177.092 177.300 0.292 0.000 1.223 34 P CA -0.693 62.522 63.100 0.192 0.000 0.784 34 P CB 0.396 32.200 31.700 0.173 0.000 0.923 35 L N 2.831 124.182 121.223 0.214 0.000 2.462 35 L HA 0.164 4.602 4.340 0.163 0.000 0.272 35 L C -0.199 176.823 176.870 0.255 0.000 1.166 35 L CA 0.345 55.331 54.840 0.245 0.000 0.880 35 L CB -0.594 41.566 42.059 0.167 0.000 1.142 35 L HN 0.186 nan 8.230 nan 0.000 0.473 36 I N 4.539 125.299 120.570 0.317 0.000 2.392 36 I HA 0.489 4.757 4.170 0.163 0.000 0.295 36 I C 0.305 176.594 176.117 0.286 0.000 0.985 36 I CA -0.366 61.088 61.300 0.257 0.000 1.221 36 I CB 1.722 39.865 38.000 0.239 0.000 1.366 36 I HN 0.767 nan 8.210 nan 0.000 0.467 37 T N 1.523 116.216 114.554 0.232 0.000 2.916 37 T HA 0.939 5.387 4.350 0.163 0.000 0.292 37 T C -0.356 174.440 174.700 0.161 0.000 1.064 37 T CA -0.774 61.489 62.100 0.273 0.000 1.011 37 T CB 2.264 71.343 68.868 0.352 0.000 1.152 37 T HN 0.916 nan 8.240 nan 0.000 0.510 38 G N 0.668 109.600 108.800 0.220 0.000 2.548 38 G HA2 0.539 4.597 3.960 0.163 0.000 0.301 38 G HA3 0.539 4.597 3.960 0.163 0.000 0.301 38 G C -1.912 173.110 174.900 0.203 0.000 1.349 38 G CA -0.964 44.145 45.100 0.015 0.000 0.792 38 G HN 0.832 nan 8.290 nan 0.000 0.481 39 N N 0.013 118.783 118.700 0.117 0.000 2.432 39 N HA 0.323 5.161 4.740 0.163 0.000 0.292 39 N C -0.429 175.181 175.510 0.167 0.000 1.193 39 N CA -0.753 52.401 53.050 0.173 0.000 0.878 39 N CB 2.240 40.795 38.487 0.114 0.000 1.252 39 N HN 0.597 nan 8.380 nan 0.000 0.520 40 K N -0.025 120.472 120.400 0.161 0.000 2.530 40 K HA 0.005 4.423 4.320 0.163 0.000 0.280 40 K C 0.999 177.659 176.600 0.099 0.000 1.004 40 K CA 1.420 57.789 56.287 0.138 0.000 1.071 40 K CB -0.184 32.385 32.500 0.115 0.000 0.876 40 K HN 0.773 nan 8.250 nan 0.000 0.487 41 G N 3.003 111.861 108.800 0.097 0.000 2.268 41 G HA2 -0.237 3.821 3.960 0.163 0.000 0.240 41 G HA3 -0.237 3.821 3.960 0.163 0.000 0.240 41 G C -0.179 174.749 174.900 0.047 0.000 1.010 41 G CA 0.187 45.326 45.100 0.064 0.000 0.618 41 G HN 0.723 nan 8.290 nan 0.000 0.516 42 D N 0.398 120.830 120.400 0.053 0.000 2.390 42 D HA 0.352 5.091 4.640 0.163 0.000 0.236 42 D C 0.933 177.225 176.300 -0.014 0.000 1.189 42 D CA 0.112 54.095 54.000 -0.027 0.000 0.887 42 D CB 0.439 41.147 40.800 -0.153 0.000 1.198 42 D HN 0.513 nan 8.370 nan 0.000 0.444 43 R N 1.210 121.638 120.500 -0.121 0.000 2.221 43 R HA 0.240 4.678 4.340 0.163 0.000 0.327 43 R C -0.933 175.180 176.300 -0.313 0.000 1.033 43 R CA -0.466 55.534 56.100 -0.167 0.000 0.887 43 R CB 0.176 30.385 30.300 -0.151 0.000 1.057 43 R HN 0.117 nan 8.270 nan 0.000 0.455 44 F N 2.823 122.323 119.950 -0.750 0.000 2.408 44 F HA 0.292 4.915 4.527 0.161 0.000 0.344 44 F C 0.217 175.546 175.800 -0.785 0.000 1.112 44 F CA -0.380 57.103 58.000 -0.861 0.000 1.096 44 F CB 1.833 40.040 39.000 -1.323 0.000 1.129 44 F HN 0.362 nan 8.300 nan 0.000 0.486 45 Q N 5.076 124.656 119.800 -0.367 0.000 2.394 45 Q HA 0.499 4.937 4.340 0.163 0.000 0.261 45 Q C -1.394 174.485 176.000 -0.201 0.000 1.023 45 Q CA -0.423 55.221 55.803 -0.266 0.000 0.720 45 Q CB 2.132 30.761 28.738 -0.183 0.000 1.241 45 Q HN 0.586 nan 8.270 nan 0.000 0.483 46 L N 2.514 123.628 121.223 -0.182 0.000 2.318 46 L HA 0.387 4.825 4.340 0.163 0.000 0.277 46 L C -0.285 176.650 176.870 0.108 0.000 1.008 46 L CA -0.763 54.033 54.840 -0.072 0.000 0.846 46 L CB 1.057 42.983 42.059 -0.222 0.000 1.220 46 L HN 0.419 nan 8.230 nan 0.000 0.423 47 N N 2.711 121.462 118.700 0.084 0.000 2.439 47 N HA 0.180 5.018 4.740 0.163 0.000 0.243 47 N C -0.756 174.870 175.510 0.195 0.000 1.088 47 N CA -0.234 52.885 53.050 0.115 0.000 0.940 47 N CB 0.994 39.514 38.487 0.055 0.000 1.180 47 N HN 0.245 nan 8.380 nan 0.000 0.505 48 V N 5.701 125.803 119.914 0.314 0.000 2.387 48 V HA 0.197 4.415 4.120 0.163 0.000 0.260 48 V C 0.591 176.853 176.094 0.280 0.000 1.054 48 V CA -0.321 62.189 62.300 0.350 0.000 0.967 48 V CB -0.297 31.849 31.823 0.537 0.000 1.036 48 V HN 0.499 nan 8.190 nan 0.000 0.481 49 I N 4.190 124.889 120.570 0.214 0.000 2.291 49 I HA 0.246 4.514 4.170 0.163 0.000 0.290 49 I C 0.224 176.450 176.117 0.181 0.000 1.050 49 I CA -0.227 61.181 61.300 0.180 0.000 1.245 49 I CB 0.878 38.958 38.000 0.134 0.000 1.405 49 I HN 0.440 nan 8.210 nan 0.000 0.478 50 D N 6.208 126.725 120.400 0.196 0.000 2.336 50 D HA 0.113 4.851 4.640 0.163 0.000 0.249 50 D C 0.037 176.429 176.300 0.155 0.000 1.213 50 D CA 0.192 54.304 54.000 0.186 0.000 0.870 50 D CB 0.574 41.497 40.800 0.205 0.000 1.076 50 D HN 0.354 nan 8.370 nan 0.000 0.483 51 N N 3.706 122.491 118.700 0.141 0.000 2.365 51 N HA 0.122 4.960 4.740 0.163 0.000 0.257 51 N C -0.249 175.332 175.510 0.118 0.000 1.287 51 N CA -0.218 52.903 53.050 0.117 0.000 0.882 51 N CB 0.302 38.850 38.487 0.102 0.000 1.250 51 N HN 0.437 nan 8.380 nan 0.000 0.507 52 M N 0.122 119.802 119.600 0.134 0.000 2.235 52 M HA 0.147 4.725 4.480 0.163 0.000 0.351 52 M C 1.022 177.397 176.300 0.125 0.000 1.178 52 M CA 0.414 55.794 55.300 0.133 0.000 1.143 52 M CB 1.034 33.723 32.600 0.149 0.000 1.530 52 M HN 0.066 nan 8.290 nan 0.000 0.461 53 T N -2.825 111.799 114.554 0.116 0.000 3.043 53 T HA 0.159 4.607 4.350 0.163 0.000 0.272 53 T C 0.288 175.057 174.700 0.115 0.000 0.990 53 T CA -0.422 61.742 62.100 0.106 0.000 0.897 53 T CB 0.027 68.947 68.868 0.086 0.000 1.111 53 T HN 0.584 nan 8.240 nan 0.000 0.529 54 N N 1.614 120.389 118.700 0.123 0.000 2.546 54 N HA 0.168 5.006 4.740 0.163 0.000 0.238 54 N C 0.371 175.967 175.510 0.144 0.000 0.984 54 N CA -0.085 53.038 53.050 0.122 0.000 0.935 54 N CB 1.142 39.689 38.487 0.100 0.000 1.122 54 N HN 0.348 nan 8.380 nan 0.000 0.510 55 H N 2.641 121.756 119.070 0.074 0.000 2.457 55 H HA -0.013 4.640 4.556 0.162 0.000 0.294 55 H C 1.035 176.408 175.328 0.075 0.000 1.064 55 H CA 2.183 58.276 56.048 0.076 0.000 1.330 55 H CB 0.417 30.216 29.762 0.063 0.000 1.395 55 H HN 0.434 nan 8.280 nan 0.000 0.541 56 T N 0.386 114.899 114.554 -0.068 0.000 2.759 56 T HA -0.174 4.274 4.350 0.163 0.000 0.269 56 T C 1.632 176.282 174.700 -0.083 0.000 1.042 56 T CA 1.830 63.866 62.100 -0.108 0.000 1.140 56 T CB -0.141 68.721 68.868 -0.011 0.000 0.864 56 T HN 0.428 nan 8.240 nan 0.000 0.455 57 M N 0.675 120.268 119.600 -0.012 0.000 2.431 57 M HA 0.354 4.932 4.480 0.163 0.000 0.237 57 M C -0.586 175.745 176.300 0.052 0.000 1.130 57 M CA 0.019 55.335 55.300 0.028 0.000 1.002 57 M CB 0.027 32.669 32.600 0.070 0.000 1.524 57 M HN 0.114 nan 8.290 nan 0.000 0.482 58 L N 0.601 121.840 121.223 0.027 0.000 0.735 58 L HA -0.242 4.196 4.340 0.163 0.000 0.364 58 L C 0.492 177.457 176.870 0.160 0.000 1.004 58 L CA 0.068 54.971 54.840 0.105 0.000 1.222 58 L CB -0.344 41.790 42.059 0.124 0.000 0.325 58 L HN 0.408 nan 8.230 nan 0.000 0.197 59 K N 0.188 120.712 120.400 0.206 0.000 2.356 59 K HA 0.158 4.576 4.320 0.163 0.000 0.195 59 K C 0.655 177.371 176.600 0.194 0.000 1.037 59 K CA 0.283 56.683 56.287 0.189 0.000 1.014 59 K CB 0.359 32.969 32.500 0.184 0.000 0.815 59 K HN 0.486 nan 8.250 nan 0.000 0.507 60 S N 1.415 117.247 115.700 0.219 0.000 2.617 60 S HA 0.264 4.832 4.470 0.163 0.000 0.269 60 S C 0.174 174.870 174.600 0.159 0.000 1.292 60 S CA -0.462 57.863 58.200 0.208 0.000 1.010 60 S CB 1.298 64.672 63.200 0.290 0.000 0.944 60 S HN 0.255 nan 8.310 nan 0.000 0.536 61 T N -0.448 114.182 114.554 0.127 0.000 2.816 61 T HA 0.778 5.226 4.350 0.163 0.000 0.299 61 T C -1.008 173.739 174.700 0.079 0.000 1.230 61 T CA -1.017 61.152 62.100 0.115 0.000 1.007 61 T CB 1.522 70.485 68.868 0.158 0.000 1.289 61 T HN 0.666 nan 8.240 nan 0.000 0.508 62 S N 0.051 115.798 115.700 0.077 0.000 2.556 62 S HA 0.771 5.339 4.470 0.163 0.000 0.271 62 S C -1.473 173.132 174.600 0.008 0.000 1.135 62 S CA -1.060 57.214 58.200 0.122 0.000 0.858 62 S CB 1.317 64.550 63.200 0.055 0.000 1.114 62 S HN 0.723 nan 8.310 nan 0.000 0.468 63 I N 2.535 123.019 120.570 -0.144 0.000 2.474 63 I HA 0.411 4.680 4.170 0.163 0.000 0.294 63 I C 0.147 175.743 176.117 -0.867 0.000 1.005 63 I CA -0.361 60.563 61.300 -0.626 0.000 1.113 63 I CB 1.345 38.712 38.000 -1.056 0.000 1.289 63 I HN 0.935 nan 8.210 nan 0.000 0.436 64 H N 5.690 124.203 119.070 -0.929 0.000 2.488 64 H HA 0.270 4.924 4.556 0.162 0.000 0.322 64 H C -1.483 173.298 175.328 -0.911 0.000 1.078 64 H CA -0.596 54.989 56.048 -0.772 0.000 1.260 64 H CB 0.928 30.458 29.762 -0.386 0.000 1.425 64 H HN 0.546 nan 8.280 nan 0.000 0.471 65 W N 5.725 126.654 121.300 -0.618 0.000 2.318 65 W HA 0.164 4.918 4.660 0.155 0.000 0.362 65 W C 0.160 176.326 176.519 -0.589 0.000 0.978 65 W CA -0.870 56.219 57.345 -0.427 0.000 1.509 65 W CB -0.292 28.977 29.460 -0.318 0.000 1.437 65 W HN 0.622 nan 8.180 nan 0.000 0.361 66 H N 1.776 120.435 119.070 -0.686 0.000 2.819 66 H HA 0.404 5.058 4.556 0.163 0.000 0.303 66 H C 1.351 176.533 175.328 -0.243 0.000 1.058 66 H CA 1.318 56.968 56.048 -0.662 0.000 1.471 66 H CB 0.565 29.886 29.762 -0.735 0.000 1.480 66 H HN 0.769 nan 8.280 nan 0.000 0.517 67 G N 3.990 112.785 108.800 -0.009 0.000 2.232 67 G HA2 -0.262 3.796 3.960 0.163 0.000 0.226 67 G HA3 -0.262 3.796 3.960 0.163 0.000 0.226 67 G C 0.047 174.913 174.900 -0.057 0.000 0.996 67 G CA -0.154 45.020 45.100 0.123 0.000 0.626 67 G HN 0.566 nan 8.290 nan 0.000 0.509 68 F N 0.772 120.650 119.950 -0.120 0.000 2.443 68 F HA 0.556 5.183 4.527 0.165 0.000 0.353 68 F C 1.520 177.187 175.800 -0.221 0.000 1.101 68 F CA -1.017 56.761 58.000 -0.369 0.000 1.226 68 F CB 0.542 39.224 39.000 -0.530 0.000 1.140 68 F HN -0.075 nan 8.300 nan 0.000 0.557 69 F N 0.125 120.100 119.950 0.041 0.000 2.259 69 F HA -0.106 4.519 4.527 0.163 0.000 0.298 69 F C 1.372 177.098 175.800 -0.123 0.000 1.088 69 F CA 0.478 58.405 58.000 -0.122 0.000 1.358 69 F CB -0.640 38.315 39.000 -0.075 0.000 1.040 69 F HN 0.390 nan 8.300 nan 0.000 0.505 70 Q N -0.257 119.617 119.800 0.123 0.000 2.468 70 Q HA -0.312 4.126 4.340 0.163 0.000 0.289 70 Q C -0.339 175.767 176.000 0.178 0.000 1.299 70 Q CA 0.700 56.543 55.803 0.068 0.000 0.838 70 Q CB -2.807 25.988 28.738 0.094 0.000 1.195 70 Q HN 0.631 nan 8.270 nan 0.000 0.456 71 H N -0.626 118.513 119.070 0.116 0.000 2.955 71 H HA 0.362 5.017 4.556 0.164 0.000 0.290 71 H C 1.508 176.893 175.328 0.094 0.000 1.047 71 H CA 1.903 58.023 56.048 0.120 0.000 1.484 71 H CB 0.241 30.058 29.762 0.091 0.000 1.501 71 H HN 0.488 nan 8.280 nan 0.000 0.521 72 G N 3.465 112.166 108.800 -0.164 0.000 2.217 72 G HA2 -0.319 3.740 3.960 0.163 0.000 0.246 72 G HA3 -0.319 3.740 3.960 0.163 0.000 0.246 72 G C 0.725 175.638 174.900 0.023 0.000 0.990 72 G CA 0.519 45.594 45.100 -0.041 0.000 0.627 72 G HN 0.963 nan 8.290 nan 0.000 0.522 73 T N -1.771 112.733 114.554 -0.084 0.000 3.448 73 T HA 0.387 4.835 4.350 0.163 0.000 0.271 73 T C 1.102 175.458 174.700 -0.574 0.000 1.002 73 T CA 0.615 62.461 62.100 -0.423 0.000 0.995 73 T CB 0.357 68.976 68.868 -0.416 0.000 1.153 73 T HN 0.243 nan 8.240 nan 0.000 0.510 74 N N 2.102 120.614 118.700 -0.313 0.000 2.205 74 N HA -0.137 4.701 4.740 0.163 0.000 0.186 74 N C 1.700 177.013 175.510 -0.329 0.000 1.015 74 N CA 1.791 54.633 53.050 -0.347 0.000 0.862 74 N CB -0.171 38.016 38.487 -0.500 0.000 0.986 74 N HN 0.874 nan 8.380 nan 0.000 0.429 75 W N 0.200 121.351 121.300 -0.250 0.000 2.480 75 W HA 0.060 4.822 4.660 0.170 0.000 0.257 75 W C 1.081 177.684 176.519 0.140 0.000 1.235 75 W CA 0.585 57.773 57.345 -0.262 0.000 1.218 75 W CB -0.693 28.224 29.460 -0.905 0.000 1.131 75 W HN 0.075 nan 8.180 nan 0.000 0.606 76 A N 0.384 122.879 122.820 -0.543 0.000 2.348 76 A HA 0.029 4.447 4.320 0.163 0.000 0.224 76 A C 1.511 179.198 177.584 0.171 0.000 1.227 76 A CA 0.755 52.641 52.037 -0.252 0.000 0.885 76 A CB -0.521 17.930 19.000 -0.916 0.000 0.933 76 A HN 0.125 nan 8.150 nan 0.000 0.506 77 D N -0.518 119.932 120.400 0.084 0.000 2.117 77 D HA 0.102 4.840 4.640 0.163 0.000 0.198 77 D C 1.625 178.058 176.300 0.222 0.000 0.982 77 D CA 2.499 56.616 54.000 0.195 0.000 0.828 77 D CB 0.076 41.009 40.800 0.221 0.000 0.967 77 D HN 0.516 nan 8.370 nan 0.000 0.464 78 G N -1.292 107.590 108.800 0.135 0.000 2.697 78 G HA2 -0.189 3.869 3.960 0.163 0.000 0.200 78 G HA3 -0.189 3.869 3.960 0.163 0.000 0.200 78 G C -1.954 172.853 174.900 -0.156 0.000 1.106 78 G CA -0.230 44.879 45.100 0.015 0.000 0.748 78 G HN 0.270 nan 8.290 nan 0.000 0.503 79 P HA 0.376 nan 4.420 nan 0.000 0.255 79 P C 0.406 177.520 177.300 -0.309 0.000 1.161 79 P CA 1.063 63.820 63.100 -0.572 0.000 0.768 79 P CB 0.482 31.675 31.700 -0.844 0.000 0.746 80 A N 4.664 127.367 122.820 -0.195 0.000 2.520 80 A HA 0.213 4.631 4.320 0.163 0.000 0.245 80 A C 0.614 178.014 177.584 -0.307 0.000 1.072 80 A CA -0.007 51.779 52.037 -0.418 0.000 0.761 80 A CB -1.162 17.615 19.000 -0.372 0.000 1.004 80 A HN 0.656 nan 8.150 nan 0.000 0.499 81 F N -0.195 119.682 119.950 -0.122 0.000 2.935 81 F HA -0.281 4.346 4.527 0.166 0.000 0.317 81 F C 1.085 176.821 175.800 -0.107 0.000 0.699 81 F CA 0.816 58.763 58.000 -0.088 0.000 1.127 81 F CB -1.983 37.000 39.000 -0.028 0.000 1.491 81 F HN 0.291 nan 8.300 nan 0.000 0.337 82 V N -1.274 118.541 119.914 -0.166 0.000 2.806 82 V HA 0.074 4.292 4.120 0.163 0.000 0.239 82 V C 1.690 177.646 176.094 -0.229 0.000 1.113 82 V CA 1.646 63.757 62.300 -0.314 0.000 1.137 82 V CB 0.025 31.352 31.823 -0.826 0.000 0.865 82 V HN 0.396 nan 8.190 nan 0.000 0.482 83 N N 0.205 118.778 118.700 -0.211 0.000 2.332 83 N HA 0.156 4.994 4.740 0.163 0.000 0.190 83 N C 0.334 175.955 175.510 0.186 0.000 1.117 83 N CA 0.178 53.191 53.050 -0.062 0.000 0.883 83 N CB 1.159 39.574 38.487 -0.121 0.000 1.089 83 N HN 0.701 nan 8.380 nan 0.000 0.480 84 Q N -1.027 118.764 119.800 -0.015 0.000 2.687 84 Q HA 0.423 4.861 4.340 0.163 0.000 0.295 84 Q C -1.615 174.084 176.000 -0.501 0.000 0.920 84 Q CA -0.813 54.895 55.803 -0.159 0.000 0.766 84 Q CB 1.059 29.749 28.738 -0.081 0.000 1.467 84 Q HN -0.129 nan 8.270 nan 0.000 0.415 85 c N 1.952 120.169 118.600 -0.637 0.000 2.463 85 c HA 0.557 5.225 4.570 0.163 0.000 0.380 85 c C -2.047 171.570 174.090 -0.788 0.000 1.264 85 c CA -0.819 55.018 56.329 -0.820 0.000 2.161 85 c CB 0.043 42.246 42.510 -0.510 0.000 2.515 85 c HN 0.639 nan 8.230 nan 0.000 0.565 86 P HA 0.058 nan 4.420 nan 0.000 0.267 86 P C -0.500 176.607 177.300 -0.322 0.000 1.201 86 P CA 0.323 63.087 63.100 -0.560 0.000 0.775 86 P CB 0.226 31.587 31.700 -0.564 0.000 0.854 87 I N 0.807 121.298 120.570 -0.132 0.000 2.618 87 I HA -0.018 4.250 4.170 0.163 0.000 0.284 87 I C 0.837 176.997 176.117 0.072 0.000 1.146 87 I CA 0.559 61.851 61.300 -0.015 0.000 1.425 87 I CB -0.040 38.049 38.000 0.149 0.000 1.383 87 I HN 0.235 nan 8.210 nan 0.000 0.562 88 S N 3.911 119.655 115.700 0.072 0.000 2.584 88 S HA 0.137 4.705 4.470 0.163 0.000 0.273 88 S C 0.278 175.017 174.600 0.230 0.000 1.311 88 S CA -0.574 57.714 58.200 0.147 0.000 1.034 88 S CB 1.276 64.484 63.200 0.013 0.000 0.939 88 S HN 0.728 nan 8.310 nan 0.000 0.513 89 T N 1.285 115.976 114.554 0.228 0.000 2.940 89 T HA 0.409 4.857 4.350 0.163 0.000 0.309 89 T C 1.436 176.279 174.700 0.238 0.000 1.056 89 T CA 1.220 63.447 62.100 0.213 0.000 1.137 89 T CB -0.262 68.704 68.868 0.164 0.000 0.976 89 T HN 1.079 nan 8.240 nan 0.000 0.547 90 G N 3.342 112.232 108.800 0.151 0.000 2.241 90 G HA2 -0.169 3.889 3.960 0.163 0.000 0.244 90 G HA3 -0.169 3.889 3.960 0.163 0.000 0.244 90 G C 0.209 175.053 174.900 -0.093 0.000 0.998 90 G CA 0.300 45.414 45.100 0.023 0.000 0.621 90 G HN 0.873 nan 8.290 nan 0.000 0.519 91 H N 0.526 119.649 119.070 0.089 0.000 2.567 91 H HA 0.720 5.295 4.556 0.033 0.000 0.345 91 H C 0.351 175.754 175.328 0.126 0.000 1.169 91 H CA 0.052 56.157 56.048 0.095 0.000 1.227 91 H CB 1.923 31.736 29.762 0.085 0.000 1.607 91 H HN 0.542 nan 8.280 nan 0.000 0.534 92 A N 1.709 124.679 122.820 0.250 0.000 2.330 92 A HA 0.588 5.006 4.320 0.163 0.000 0.329 92 A C -1.517 176.255 177.584 0.313 0.000 1.135 92 A CA -0.485 51.696 52.037 0.240 0.000 0.817 92 A CB 1.104 20.202 19.000 0.165 0.000 1.269 92 A HN 0.519 nan 8.150 nan 0.000 0.469 93 F N 1.042 121.065 119.950 0.122 0.000 2.574 93 F HA 0.561 5.167 4.527 0.132 0.000 0.313 93 F C -1.489 174.338 175.800 0.045 0.000 1.130 93 F CA -1.036 56.992 58.000 0.046 0.000 0.936 93 F CB 1.701 40.694 39.000 -0.012 0.000 1.219 93 F HN 0.514 nan 8.300 nan 0.000 0.445 94 L N 7.107 127.952 121.223 -0.630 0.000 2.265 94 L HA 0.446 4.884 4.340 0.163 0.000 0.288 94 L C -1.618 174.805 176.870 -0.744 0.000 1.058 94 L CA -0.144 54.410 54.840 -0.475 0.000 0.809 94 L CB 0.221 42.140 42.059 -0.234 0.000 1.179 94 L HN 0.558 nan 8.230 nan 0.000 0.429 95 Y N 3.707 123.877 120.300 -0.216 0.000 2.477 95 Y HA 0.313 4.969 4.550 0.176 0.000 0.349 95 Y C -0.073 175.752 175.900 -0.125 0.000 0.977 95 Y CA -0.361 57.709 58.100 -0.049 0.000 1.214 95 Y CB 0.553 39.092 38.460 0.131 0.000 1.124 95 Y HN 0.531 nan 8.280 nan 0.000 0.521 96 D N 5.511 125.987 120.400 0.127 0.000 2.441 96 D HA 0.342 5.080 4.640 0.163 0.000 0.231 96 D C -1.079 175.250 176.300 0.049 0.000 1.073 96 D CA -0.266 53.740 54.000 0.010 0.000 0.850 96 D CB 0.107 40.977 40.800 0.116 0.000 1.062 96 D HN 0.287 nan 8.370 nan 0.000 0.524 97 F N 0.274 120.110 119.950 -0.190 0.000 2.754 97 F HA 0.594 5.217 4.527 0.159 0.000 0.320 97 F C -1.049 174.636 175.800 -0.192 0.000 1.156 97 F CA -1.029 56.830 58.000 -0.235 0.000 0.950 97 F CB 1.036 39.795 39.000 -0.402 0.000 1.388 97 F HN 0.004 nan 8.300 nan 0.000 0.485 98 Q N 0.685 120.529 119.800 0.073 0.000 2.413 98 Q HA 0.641 5.079 4.340 0.163 0.000 0.276 98 Q C -1.072 174.947 176.000 0.031 0.000 1.099 98 Q CA -1.330 54.481 55.803 0.015 0.000 0.814 98 Q CB 3.284 32.044 28.738 0.037 0.000 1.379 98 Q HN 0.793 nan 8.270 nan 0.000 0.436 99 V N -1.180 118.740 119.914 0.011 0.000 2.446 99 V HA 0.279 4.497 4.120 0.163 0.000 0.257 99 V C -2.409 173.730 176.094 0.076 0.000 1.036 99 V CA -1.627 60.678 62.300 0.009 0.000 1.196 99 V CB 0.231 32.017 31.823 -0.063 0.000 1.446 99 V HN 0.542 nan 8.190 nan 0.000 0.558 100 P HA -0.092 nan 4.420 nan 0.000 0.213 100 P C 0.605 177.961 177.300 0.093 0.000 1.170 100 P CA 1.542 64.692 63.100 0.084 0.000 0.902 100 P CB 0.200 31.949 31.700 0.082 0.000 0.789 101 D N -0.643 119.831 120.400 0.124 0.000 2.980 101 D HA 0.197 4.935 4.640 0.163 0.000 0.333 101 D C -0.049 176.329 176.300 0.131 0.000 1.356 101 D CA 0.162 54.237 54.000 0.125 0.000 0.847 101 D CB 0.388 41.275 40.800 0.145 0.000 1.122 101 D HN 0.276 nan 8.370 nan 0.000 0.475 102 Q N 0.160 120.029 119.800 0.114 0.000 2.340 102 Q HA 0.746 5.185 4.340 0.163 0.000 0.276 102 Q C -1.408 174.708 176.000 0.194 0.000 1.048 102 Q CA -0.903 54.975 55.803 0.124 0.000 0.832 102 Q CB 3.184 31.962 28.738 0.066 0.000 1.373 102 Q HN 0.166 nan 8.270 nan 0.000 0.409 103 A N 0.686 123.629 122.820 0.204 0.000 2.589 103 A HA 0.992 5.410 4.320 0.163 0.000 0.296 103 A C -0.548 177.085 177.584 0.082 0.000 1.062 103 A CA 0.133 52.297 52.037 0.210 0.000 0.686 103 A CB 1.882 20.961 19.000 0.132 0.000 1.282 103 A HN 0.973 nan 8.150 nan 0.000 0.404 104 G N -0.505 108.311 108.800 0.028 0.000 2.302 104 G HA2 0.509 4.567 3.960 0.163 0.000 0.264 104 G HA3 0.509 4.567 3.960 0.163 0.000 0.264 104 G C -0.646 174.041 174.900 -0.354 0.000 1.335 104 G CA 0.034 44.992 45.100 -0.237 0.000 0.982 104 G HN 1.405 nan 8.290 nan 0.000 0.473 105 T N 0.902 115.136 114.554 -0.533 0.000 2.799 105 T HA 0.728 5.176 4.350 0.163 0.000 0.286 105 T C -0.758 173.505 174.700 -0.729 0.000 0.973 105 T CA 0.113 61.957 62.100 -0.426 0.000 1.035 105 T CB 0.965 69.660 68.868 -0.287 0.000 0.932 105 T HN 0.463 nan 8.240 nan 0.000 0.469 106 F N 0.935 120.789 119.950 -0.159 0.000 2.764 106 F HA 0.836 5.462 4.527 0.165 0.000 0.347 106 F C -0.719 175.159 175.800 0.131 0.000 1.151 106 F CA -1.148 56.767 58.000 -0.142 0.000 1.021 106 F CB 1.562 40.258 39.000 -0.505 0.000 1.438 106 F HN 0.650 nan 8.300 nan 0.000 0.516 107 W N 0.463 121.806 121.300 0.071 0.000 3.025 107 W HA 0.603 5.363 4.660 0.167 0.000 0.343 107 W C -2.398 174.249 176.519 0.212 0.000 1.246 107 W CA -2.063 55.333 57.345 0.085 0.000 1.178 107 W CB 0.156 29.548 29.460 -0.113 0.000 1.463 107 W HN 0.634 nan 8.180 nan 0.000 0.578 108 Y N 0.549 120.919 120.300 0.117 0.000 2.485 108 Y HA 0.802 5.451 4.550 0.165 0.000 0.345 108 Y C -0.609 175.189 175.900 -0.169 0.000 0.998 108 Y CA -1.184 56.785 58.100 -0.218 0.000 1.059 108 Y CB 1.690 40.044 38.460 -0.177 0.000 1.234 108 Y HN 0.699 nan 8.280 nan 0.000 0.461 109 H N -1.079 117.703 119.070 -0.480 0.000 3.014 109 H HA 0.523 5.178 4.556 0.166 0.000 0.337 109 H C -1.227 173.961 175.328 -0.233 0.000 1.320 109 H CA -1.230 54.596 56.048 -0.371 0.000 1.128 109 H CB 1.172 30.506 29.762 -0.713 0.000 1.862 109 H HN 0.759 nan 8.280 nan 0.000 0.536 110 S N 0.087 115.798 115.700 0.018 0.000 2.562 110 S HA -0.006 4.562 4.470 0.163 0.000 0.281 110 S C -0.134 174.474 174.600 0.013 0.000 1.333 110 S CA -0.300 57.921 58.200 0.035 0.000 1.052 110 S CB -0.042 63.266 63.200 0.181 0.000 0.884 110 S HN 0.794 nan 8.310 nan 0.000 0.506 111 H N 4.162 123.181 119.070 -0.085 0.000 2.528 111 H HA 0.368 5.021 4.556 0.163 0.000 0.256 111 H C -1.016 174.337 175.328 0.042 0.000 1.204 111 H CA -0.363 55.670 56.048 -0.026 0.000 0.955 111 H CB 0.146 29.834 29.762 -0.124 0.000 1.817 111 H HN 0.463 nan 8.280 nan 0.000 0.579 112 L N 1.026 122.354 121.223 0.176 0.000 2.316 112 L HA 0.321 4.759 4.340 0.163 0.000 0.280 112 L C 0.785 177.761 176.870 0.176 0.000 1.006 112 L CA 0.517 55.455 54.840 0.163 0.000 0.836 112 L CB 1.067 43.190 42.059 0.107 0.000 1.221 112 L HN 0.324 nan 8.230 nan 0.000 0.418 113 S N 3.508 119.333 115.700 0.207 0.000 4.112 113 S HA -0.345 4.223 4.470 0.163 0.000 0.602 113 S C 0.987 175.648 174.600 0.102 0.000 1.939 113 S CA 1.745 60.046 58.200 0.170 0.000 4.230 113 S CB -1.692 61.600 63.200 0.155 0.000 0.245 113 S HN 1.135 nan 8.310 nan 0.000 0.530 114 T N 1.106 115.690 114.554 0.050 0.000 3.266 114 T HA 0.386 4.834 4.350 0.163 0.000 0.278 114 T C 1.182 175.848 174.700 -0.056 0.000 1.010 114 T CA 0.877 62.936 62.100 -0.068 0.000 0.909 114 T CB -0.293 68.503 68.868 -0.120 0.000 1.122 114 T HN 0.523 nan 8.240 nan 0.000 0.536 115 Q N 0.005 119.846 119.800 0.068 0.000 2.224 115 Q HA -0.116 4.322 4.340 0.163 0.000 0.203 115 Q C 1.669 177.767 176.000 0.163 0.000 0.970 115 Q CA 1.413 57.281 55.803 0.109 0.000 0.865 115 Q CB -0.153 28.672 28.738 0.145 0.000 0.922 115 Q HN 0.935 nan 8.270 nan 0.000 0.445 116 Y N -1.800 118.554 120.300 0.091 0.000 2.439 116 Y HA -0.077 4.571 4.550 0.163 0.000 0.292 116 Y C 1.897 177.907 175.900 0.183 0.000 1.130 116 Y CA 0.663 58.855 58.100 0.154 0.000 1.254 116 Y CB -0.803 37.781 38.460 0.207 0.000 1.000 116 Y HN 0.117 nan 8.280 nan 0.000 0.554 117 c N 0.895 119.300 118.600 -0.325 0.000 2.419 117 c HA -0.128 4.540 4.570 0.163 0.000 0.283 117 c C 1.752 175.919 174.090 0.127 0.000 1.373 117 c CA 0.852 57.072 56.329 -0.181 0.000 1.781 117 c CB -0.886 41.419 42.510 -0.342 0.000 1.886 117 c HN 0.562 nan 8.230 nan 0.000 0.520 118 D N -0.087 120.400 120.400 0.145 0.000 2.336 118 D HA 0.189 4.927 4.640 0.163 0.000 0.229 118 D C 1.745 178.321 176.300 0.460 0.000 1.061 118 D CA 1.193 55.324 54.000 0.220 0.000 0.875 118 D CB 0.082 40.966 40.800 0.140 0.000 0.904 118 D HN 0.665 nan 8.370 nan 0.000 0.525 119 G N 0.615 109.751 108.800 0.561 0.000 2.229 119 G HA2 -0.221 3.837 3.960 0.163 0.000 0.189 119 G HA3 -0.221 3.837 3.960 0.163 0.000 0.189 119 G C 0.122 175.258 174.900 0.393 0.000 1.000 119 G CA -0.350 45.151 45.100 0.669 0.000 0.663 119 G HN 0.247 nan 8.290 nan 0.000 0.493 120 L N 3.142 124.572 121.223 0.346 0.000 2.387 120 L HA 0.707 5.145 4.340 0.163 0.000 0.267 120 L C 0.641 177.658 176.870 0.245 0.000 1.197 120 L CA -0.480 54.525 54.840 0.274 0.000 1.070 120 L CB -1.135 41.080 42.059 0.259 0.000 1.349 120 L HN 0.515 nan 8.230 nan 0.000 0.422 121 R N 2.434 122.997 120.500 0.105 0.000 2.644 121 R HA 0.791 5.229 4.340 0.163 0.000 0.257 121 R C -1.050 175.088 176.300 -0.271 0.000 1.082 121 R CA -0.721 55.386 56.100 0.012 0.000 0.927 121 R CB 0.865 31.409 30.300 0.407 0.000 1.258 121 R HN 0.438 nan 8.270 nan 0.000 0.459 122 G N 2.000 110.442 108.800 -0.597 0.000 2.632 122 G HA2 0.574 4.632 3.960 0.163 0.000 0.292 122 G HA3 0.574 4.632 3.960 0.163 0.000 0.292 122 G C -3.235 171.556 174.900 -0.181 0.000 1.465 122 G CA -1.131 43.666 45.100 -0.504 0.000 0.824 122 G HN 0.391 nan 8.290 nan 0.000 0.509 123 P HA 0.615 nan 4.420 nan 0.000 0.276 123 P C -0.700 176.812 177.300 0.352 0.000 1.252 123 P CA -0.397 62.812 63.100 0.182 0.000 0.802 123 P CB 1.698 33.440 31.700 0.070 0.000 1.035 124 I N 0.001 120.771 120.570 0.333 0.000 2.607 124 I HA 0.275 4.543 4.170 0.163 0.000 0.290 124 I C -0.690 175.584 176.117 0.261 0.000 1.129 124 I CA -1.060 60.460 61.300 0.366 0.000 1.042 124 I CB 2.552 40.836 38.000 0.473 0.000 1.242 124 I HN -0.036 nan 8.210 nan 0.000 0.421 125 V N 6.470 126.493 119.914 0.181 0.000 2.448 125 V HA 0.391 4.609 4.120 0.163 0.000 0.295 125 V C -0.231 175.878 176.094 0.025 0.000 1.025 125 V CA -0.728 61.555 62.300 -0.029 0.000 0.859 125 V CB 2.011 33.625 31.823 -0.349 0.000 0.988 125 V HN 0.399 nan 8.190 nan 0.000 0.431 126 V N 5.823 125.809 119.914 0.120 0.000 2.294 126 V HA 0.354 4.572 4.120 0.163 0.000 0.272 126 V C -0.427 175.680 176.094 0.022 0.000 1.027 126 V CA -0.765 61.656 62.300 0.201 0.000 0.823 126 V CB 0.104 32.154 31.823 0.377 0.000 1.030 126 V HN 0.705 nan 8.190 nan 0.000 0.457 127 Y N 2.118 122.518 120.300 0.167 0.000 2.497 127 Y HA 0.237 4.885 4.550 0.163 0.000 0.334 127 Y C 0.762 176.727 175.900 0.108 0.000 1.199 127 Y CA 0.165 58.334 58.100 0.116 0.000 1.425 127 Y CB 0.497 39.006 38.460 0.081 0.000 1.291 127 Y HN 0.531 nan 8.280 nan 0.000 0.562 128 D N 3.863 124.402 120.400 0.232 0.000 2.414 128 D HA 0.273 5.011 4.640 0.163 0.000 0.232 128 D C -2.081 174.304 176.300 0.142 0.000 1.070 128 D CA -2.552 51.541 54.000 0.155 0.000 0.839 128 D CB 1.626 42.495 40.800 0.115 0.000 1.079 128 D HN 0.193 nan 8.370 nan 0.000 0.521 129 P HA -0.034 nan 4.420 nan 0.000 0.225 129 P C 0.123 177.449 177.300 0.045 0.000 1.148 129 P CA 0.825 63.967 63.100 0.070 0.000 0.779 129 P CB 0.402 32.130 31.700 0.045 0.000 0.780 130 Q N -1.047 118.778 119.800 0.042 0.000 2.165 130 Q HA 0.111 4.549 4.340 0.163 0.000 0.245 130 Q C -0.190 175.817 176.000 0.013 0.000 0.841 130 Q CA -0.241 55.572 55.803 0.017 0.000 1.078 130 Q CB -0.224 28.520 28.738 0.011 0.000 1.169 130 Q HN 0.109 nan 8.270 nan 0.000 0.475 131 D N 2.220 122.644 120.400 0.040 0.000 2.662 131 D HA -0.092 4.646 4.640 0.163 0.000 0.233 131 D C -1.316 174.970 176.300 -0.025 0.000 1.129 131 D CA -0.410 53.616 54.000 0.043 0.000 0.851 131 D CB 1.070 41.952 40.800 0.136 0.000 1.152 131 D HN 0.134 nan 8.370 nan 0.000 0.507 132 P HA -0.138 nan 4.420 nan 0.000 0.226 132 P C 0.172 177.334 177.300 -0.231 0.000 1.146 132 P CA 1.342 64.320 63.100 -0.204 0.000 0.773 132 P CB 0.053 31.571 31.700 -0.303 0.000 0.772 133 H N -1.077 118.004 119.070 0.018 0.000 2.784 133 H HA 0.135 4.789 4.556 0.163 0.000 0.273 133 H C 2.034 177.253 175.328 -0.181 0.000 1.112 133 H CA -0.361 55.689 56.048 0.004 0.000 1.162 133 H CB 0.350 30.192 29.762 0.134 0.000 1.586 133 H HN 0.122 nan 8.280 nan 0.000 0.548 134 K N 0.838 121.157 120.400 -0.135 0.000 2.173 134 K HA -0.173 4.245 4.320 0.163 0.000 0.207 134 K C 1.691 177.902 176.600 -0.650 0.000 1.046 134 K CA 1.957 57.963 56.287 -0.469 0.000 0.929 134 K CB -0.362 32.023 32.500 -0.191 0.000 0.720 134 K HN 0.262 nan 8.250 nan 0.000 0.453 135 S N 0.778 116.282 115.700 -0.326 0.000 2.607 135 S HA 0.073 4.641 4.470 0.163 0.000 0.224 135 S C 1.761 176.233 174.600 -0.213 0.000 0.969 135 S CA 0.040 58.099 58.200 -0.235 0.000 0.927 135 S CB -0.301 62.829 63.200 -0.117 0.000 0.772 135 S HN 0.318 nan 8.310 nan 0.000 0.533 136 L N 0.329 121.397 121.223 -0.259 0.000 2.558 136 L HA 0.289 4.727 4.340 0.163 0.000 0.225 136 L C 0.232 177.082 176.870 -0.033 0.000 1.128 136 L CA -0.008 54.781 54.840 -0.084 0.000 0.868 136 L CB -0.389 41.705 42.059 0.057 0.000 1.006 136 L HN 0.596 nan 8.230 nan 0.000 0.454 137 Y N -5.137 115.123 120.300 -0.066 0.000 2.670 137 Y HA 0.401 5.049 4.550 0.164 0.000 0.334 137 Y C -0.057 175.746 175.900 -0.161 0.000 1.185 137 Y CA -1.250 56.769 58.100 -0.135 0.000 1.053 137 Y CB 0.596 38.958 38.460 -0.165 0.000 1.298 137 Y HN -0.222 nan 8.280 nan 0.000 0.459 138 D N 0.280 120.652 120.400 -0.046 0.000 2.431 138 D HA 0.165 4.903 4.640 0.163 0.000 0.227 138 D C -0.426 175.805 176.300 -0.115 0.000 1.030 138 D CA 0.867 54.792 54.000 -0.125 0.000 0.897 138 D CB 1.531 42.205 40.800 -0.210 0.000 1.058 138 D HN 0.241 nan 8.370 nan 0.000 0.500 139 V N 1.542 121.319 119.914 -0.228 0.000 2.487 139 V HA 0.383 4.601 4.120 0.163 0.000 0.298 139 V C -1.120 174.868 176.094 -0.176 0.000 1.028 139 V CA -0.734 61.436 62.300 -0.216 0.000 0.860 139 V CB 2.262 33.867 31.823 -0.363 0.000 0.991 139 V HN -0.048 nan 8.190 nan 0.000 0.427 140 D N 3.478 123.833 120.400 -0.075 0.000 2.470 140 D HA 0.535 5.273 4.640 0.163 0.000 0.233 140 D C -1.077 175.253 176.300 0.050 0.000 1.372 140 D CA -0.204 53.744 54.000 -0.086 0.000 0.994 140 D CB 1.474 42.203 40.800 -0.119 0.000 1.377 140 D HN 0.700 nan 8.370 nan 0.000 0.586 141 D N 1.149 121.588 120.400 0.066 0.000 3.376 141 D HA 0.183 4.921 4.640 0.163 0.000 0.344 141 D C 0.200 176.574 176.300 0.124 0.000 1.428 141 D CA -0.365 53.689 54.000 0.091 0.000 0.949 141 D CB -0.083 40.730 40.800 0.021 0.000 1.451 141 D HN 0.012 nan 8.370 nan 0.000 0.578 142 D N -0.566 119.895 120.400 0.101 0.000 2.178 142 D HA -0.000 4.738 4.640 0.163 0.000 0.202 142 D C 1.421 177.770 176.300 0.081 0.000 0.974 142 D CA 1.441 55.500 54.000 0.097 0.000 0.841 142 D CB -0.059 40.788 40.800 0.078 0.000 0.953 142 D HN 0.230 nan 8.370 nan 0.000 0.478 143 S N -1.005 114.742 115.700 0.079 0.000 2.593 143 S HA -0.021 4.547 4.470 0.163 0.000 0.217 143 S C 1.640 176.328 174.600 0.147 0.000 0.966 143 S CA 0.750 59.003 58.200 0.088 0.000 0.914 143 S CB 0.090 63.335 63.200 0.076 0.000 0.776 143 S HN 0.438 nan 8.310 nan 0.000 0.523 144 T N -1.191 113.443 114.554 0.133 0.000 3.054 144 T HA 0.267 4.715 4.350 0.163 0.000 0.255 144 T C 0.380 175.182 174.700 0.170 0.000 1.035 144 T CA -0.208 62.004 62.100 0.187 0.000 0.941 144 T CB -0.128 68.681 68.868 -0.099 0.000 1.026 144 T HN 0.003 nan 8.240 nan 0.000 0.533 145 V N 2.857 122.824 119.914 0.088 0.000 2.455 145 V HA 0.389 4.607 4.120 0.163 0.000 0.273 145 V C 0.048 176.146 176.094 0.005 0.000 1.045 145 V CA -0.623 61.693 62.300 0.027 0.000 0.976 145 V CB 0.375 32.213 31.823 0.025 0.000 0.993 145 V HN 0.453 nan 8.190 nan 0.000 0.475 146 I N 5.009 125.549 120.570 -0.050 0.000 2.355 146 I HA 0.420 4.688 4.170 0.163 0.000 0.288 146 I C 0.382 176.415 176.117 -0.140 0.000 0.999 146 I CA -0.254 60.989 61.300 -0.094 0.000 1.163 146 I CB 1.940 39.865 38.000 -0.124 0.000 1.316 146 I HN 0.706 nan 8.210 nan 0.000 0.454 147 T N 5.332 119.808 114.554 -0.130 0.000 2.859 147 T HA 0.772 5.220 4.350 0.163 0.000 0.281 147 T C -0.583 174.015 174.700 -0.170 0.000 1.005 147 T CA -0.730 61.267 62.100 -0.172 0.000 1.025 147 T CB 1.440 70.212 68.868 -0.161 0.000 0.977 147 T HN 0.363 nan 8.240 nan 0.000 0.458 148 L N 1.961 123.059 121.223 -0.209 0.000 2.346 148 L HA 0.887 5.325 4.340 0.163 0.000 0.274 148 L C -0.097 176.687 176.870 -0.145 0.000 1.007 148 L CA -1.268 53.443 54.840 -0.215 0.000 0.818 148 L CB 1.915 43.810 42.059 -0.273 0.000 1.284 148 L HN 1.042 nan 8.230 nan 0.000 0.424 149 A N 1.346 124.121 122.820 -0.076 0.000 2.566 149 A HA 0.570 4.988 4.320 0.163 0.000 0.297 149 A C -1.752 175.923 177.584 0.152 0.000 1.059 149 A CA -0.780 51.298 52.037 0.067 0.000 0.691 149 A CB 1.538 20.580 19.000 0.071 0.000 1.282 149 A HN 0.727 nan 8.150 nan 0.000 0.401 150 D N 1.116 121.649 120.400 0.221 0.000 2.210 150 D HA 0.381 5.119 4.640 0.163 0.000 0.249 150 D C -0.518 175.898 176.300 0.193 0.000 1.062 150 D CA -0.231 53.855 54.000 0.144 0.000 0.891 150 D CB 1.460 42.331 40.800 0.120 0.000 1.186 150 D HN 0.622 nan 8.370 nan 0.000 0.432 151 W N 2.502 123.593 121.300 -0.348 0.000 2.998 151 W HA 0.389 5.146 4.660 0.162 0.000 0.335 151 W C -2.020 174.182 176.519 -0.528 0.000 1.110 151 W CA -0.870 56.342 57.345 -0.221 0.000 1.230 151 W CB 1.796 31.260 29.460 0.006 0.000 1.405 151 W HN 0.327 nan 8.180 nan 0.000 0.493 152 Y N 3.098 123.015 120.300 -0.639 0.000 2.409 152 Y HA 0.253 4.901 4.550 0.163 0.000 0.343 152 Y C 1.286 176.896 175.900 -0.482 0.000 0.973 152 Y CA -0.721 57.102 58.100 -0.461 0.000 1.064 152 Y CB 1.674 39.944 38.460 -0.318 0.000 1.207 152 Y HN 0.453 nan 8.280 nan 0.000 0.452 153 H N 1.461 120.356 119.070 -0.292 0.000 2.502 153 H HA 0.151 4.805 4.556 0.163 0.000 0.283 153 H C -0.321 174.973 175.328 -0.057 0.000 1.015 153 H CA 0.414 56.315 56.048 -0.245 0.000 1.298 153 H CB 0.495 29.873 29.762 -0.640 0.000 1.411 153 H HN 0.299 nan 8.280 nan 0.000 0.556 154 L N 1.363 122.606 121.223 0.034 0.000 2.296 154 L HA 0.406 4.844 4.340 0.163 0.000 0.286 154 L C 0.349 177.189 176.870 -0.051 0.000 1.023 154 L CA -0.973 53.872 54.840 0.009 0.000 0.812 154 L CB 1.586 43.639 42.059 -0.010 0.000 1.223 154 L HN 0.099 nan 8.230 nan 0.000 0.421 155 A N 2.533 125.326 122.820 -0.045 0.000 2.577 155 A HA 0.227 4.645 4.320 0.163 0.000 0.233 155 A C 1.405 178.945 177.584 -0.073 0.000 1.076 155 A CA 0.749 52.748 52.037 -0.062 0.000 0.767 155 A CB 0.238 19.226 19.000 -0.021 0.000 1.017 155 A HN 0.993 nan 8.150 nan 0.000 0.511 156 A N 1.100 123.884 122.820 -0.059 0.000 1.883 156 A HA -0.135 4.283 4.320 0.163 0.000 0.217 156 A C 1.633 179.214 177.584 -0.006 0.000 1.186 156 A CA 1.888 53.917 52.037 -0.013 0.000 0.624 156 A CB -0.406 18.601 19.000 0.013 0.000 0.822 156 A HN 0.783 nan 8.150 nan 0.000 0.444 157 K N -0.438 119.955 120.400 -0.011 0.000 2.520 157 K HA 0.316 4.734 4.320 0.163 0.000 0.205 157 K C 0.396 176.983 176.600 -0.021 0.000 1.035 157 K CA 0.123 56.403 56.287 -0.012 0.000 1.188 157 K CB 0.502 32.990 32.500 -0.020 0.000 0.894 157 K HN 0.314 nan 8.250 nan 0.000 0.497 158 V N -0.298 119.597 119.914 -0.030 0.000 3.484 158 V HA 0.237 4.455 4.120 0.163 0.000 0.252 158 V C 0.707 176.775 176.094 -0.043 0.000 1.282 158 V CA 0.302 62.586 62.300 -0.027 0.000 1.104 158 V CB 0.869 32.684 31.823 -0.014 0.000 0.868 158 V HN 0.542 nan 8.190 nan 0.000 0.457 159 G N -0.838 107.916 108.800 -0.076 0.000 2.428 159 G HA2 0.550 4.608 3.960 0.163 0.000 0.681 159 G HA3 0.550 4.608 3.960 0.163 0.000 0.681 159 G C -0.323 174.496 174.900 -0.134 0.000 1.340 159 G CA -0.169 44.873 45.100 -0.096 0.000 0.915 159 G HN 1.495 nan 8.290 nan 0.000 0.645 160 A N -0.614 122.097 122.820 -0.181 0.000 3.580 160 A HA 0.756 5.174 4.320 0.163 0.000 0.196 160 A C 1.568 179.032 177.584 -0.201 0.000 1.310 160 A CA 2.688 54.543 52.037 -0.303 0.000 1.171 160 A CB -1.637 17.178 19.000 -0.309 0.000 0.815 160 A HN 3.003 nan 8.150 nan 0.000 0.392 161 A N -2.708 120.025 122.820 -0.145 0.000 1.888 161 A HA -0.174 4.244 4.320 0.163 0.000 0.344 161 A C 1.199 178.686 177.584 -0.161 0.000 1.767 161 A CA 3.415 55.404 52.037 -0.081 0.000 1.063 161 A CB -2.217 16.755 19.000 -0.047 0.000 1.470 161 A HN 2.377 nan 8.150 nan 0.000 0.706 162 V N 2.311 122.096 119.914 -0.215 0.000 2.276 162 V HA 0.528 4.746 4.120 0.163 0.000 0.268 162 V C -2.191 173.647 176.094 -0.428 0.000 1.032 162 V CA -0.505 61.587 62.300 -0.346 0.000 0.810 162 V CB 0.898 32.686 31.823 -0.058 0.000 1.060 162 V HN 0.700 nan 8.190 nan 0.000 0.446 163 P HA 0.282 nan 4.420 nan 0.000 0.281 163 P C -0.133 177.051 177.300 -0.194 0.000 1.249 163 P CA -0.065 62.760 63.100 -0.458 0.000 0.810 163 P CB 1.424 32.738 31.700 -0.644 0.000 1.008 164 T N 0.596 115.120 114.554 -0.052 0.000 2.889 164 T HA 0.520 4.968 4.350 0.163 0.000 0.291 164 T C -0.006 174.720 174.700 0.042 0.000 0.995 164 T CA -0.391 61.711 62.100 0.004 0.000 1.092 164 T CB -0.021 68.804 68.868 -0.071 0.000 0.954 164 T HN 0.504 nan 8.240 nan 0.000 0.506 165 A N 3.612 126.360 122.820 -0.119 0.000 2.401 165 A HA 0.307 4.725 4.320 0.163 0.000 0.259 165 A C 1.146 178.500 177.584 -0.383 0.000 1.103 165 A CA -0.418 51.305 52.037 -0.523 0.000 0.789 165 A CB 0.177 18.895 19.000 -0.469 0.000 1.035 165 A HN 0.966 nan 8.150 nan 0.000 0.491 166 D N 0.698 120.812 120.400 -0.476 0.000 2.249 166 D HA 0.252 4.990 4.640 0.163 0.000 0.205 166 D C 0.563 176.700 176.300 -0.272 0.000 0.962 166 D CA 1.723 55.444 54.000 -0.465 0.000 0.860 166 D CB 0.324 40.546 40.800 -0.964 0.000 0.955 166 D HN 0.710 nan 8.370 nan 0.000 0.505 167 A N -0.142 122.580 122.820 -0.163 0.000 2.566 167 A HA 0.461 4.879 4.320 0.163 0.000 0.297 167 A C -0.716 176.866 177.584 -0.004 0.000 1.059 167 A CA -0.602 51.416 52.037 -0.031 0.000 0.691 167 A CB 1.455 20.518 19.000 0.104 0.000 1.282 167 A HN -0.130 nan 8.150 nan 0.000 0.401 168 T N 2.692 117.241 114.554 -0.009 0.000 2.806 168 T HA 0.555 5.004 4.350 0.163 0.000 0.290 168 T C -0.187 174.501 174.700 -0.020 0.000 0.966 168 T CA 0.030 62.124 62.100 -0.010 0.000 1.060 168 T CB 0.082 68.913 68.868 -0.061 0.000 0.927 168 T HN 0.426 nan 8.240 nan 0.000 0.485 169 L N 4.495 125.706 121.223 -0.021 0.000 2.307 169 L HA 0.615 5.053 4.340 0.163 0.000 0.284 169 L C -0.290 176.535 176.870 -0.076 0.000 1.023 169 L CA -0.850 53.970 54.840 -0.033 0.000 0.810 169 L CB 1.189 43.232 42.059 -0.027 0.000 1.231 169 L HN 0.474 nan 8.230 nan 0.000 0.423 170 I N 3.355 123.892 120.570 -0.055 0.000 2.406 170 I HA 0.276 4.544 4.170 0.163 0.000 0.290 170 I C -0.116 175.974 176.117 -0.046 0.000 0.999 170 I CA -0.757 60.509 61.300 -0.056 0.000 1.124 170 I CB 1.592 39.584 38.000 -0.014 0.000 1.289 170 I HN 0.641 nan 8.210 nan 0.000 0.441 171 N N 5.037 123.698 118.700 -0.065 0.000 2.701 171 N HA -0.225 4.613 4.740 0.163 0.000 0.252 171 N C 0.975 176.445 175.510 -0.066 0.000 1.002 171 N CA 1.398 54.410 53.050 -0.064 0.000 0.758 171 N CB -0.890 37.573 38.487 -0.039 0.000 0.937 171 N HN 1.178 nan 8.380 nan 0.000 0.538 172 G N -2.098 106.650 108.800 -0.086 0.000 2.159 172 G HA2 -0.296 3.762 3.960 0.163 0.000 0.256 172 G HA3 -0.296 3.762 3.960 0.163 0.000 0.256 172 G C -0.146 174.745 174.900 -0.016 0.000 0.977 172 G CA 0.572 45.624 45.100 -0.081 0.000 0.652 172 G HN 0.465 nan 8.290 nan 0.000 0.531 173 L N -0.865 120.347 121.223 -0.018 0.000 2.422 173 L HA 0.847 5.285 4.340 0.163 0.000 0.264 173 L C 0.429 177.303 176.870 0.007 0.000 0.984 173 L CA -0.393 54.447 54.840 -0.000 0.000 0.819 173 L CB 2.341 44.408 42.059 0.013 0.000 1.330 173 L HN 0.575 nan 8.230 nan 0.000 0.410 174 G N 1.333 110.145 108.800 0.021 0.000 2.451 174 G HA2 0.509 4.568 3.960 0.163 0.000 0.292 174 G HA3 0.509 4.568 3.960 0.163 0.000 0.292 174 G C -2.013 172.917 174.900 0.050 0.000 1.427 174 G CA -0.896 44.224 45.100 0.033 0.000 0.792 174 G HN 0.400 nan 8.290 nan 0.000 0.498 175 R N -0.102 120.425 120.500 0.044 0.000 2.589 175 R HA 0.679 5.117 4.340 0.163 0.000 0.293 175 R C 0.219 176.540 176.300 0.035 0.000 0.963 175 R CA -0.548 55.581 56.100 0.050 0.000 0.905 175 R CB 1.922 32.245 30.300 0.038 0.000 1.144 175 R HN 0.724 nan 8.270 nan 0.000 0.459 176 S N 1.582 117.318 115.700 0.059 0.000 2.654 176 S HA 0.202 4.770 4.470 0.163 0.000 0.283 176 S C 1.424 176.020 174.600 -0.006 0.000 1.180 176 S CA -0.926 57.278 58.200 0.008 0.000 1.021 176 S CB 0.850 64.065 63.200 0.025 0.000 1.018 176 S HN 0.775 nan 8.310 nan 0.000 0.532 177 I N -1.373 119.168 120.570 -0.050 0.000 2.800 177 I HA -0.049 4.219 4.170 0.163 0.000 0.266 177 I C 1.517 177.626 176.117 -0.013 0.000 1.249 177 I CA 1.316 62.591 61.300 -0.042 0.000 1.458 177 I CB -0.343 37.617 38.000 -0.068 0.000 1.093 177 I HN 0.496 nan 8.210 nan 0.000 0.466 178 S N 0.073 115.778 115.700 0.009 0.000 2.524 178 S HA 0.092 4.660 4.470 0.163 0.000 0.215 178 S C 1.165 175.810 174.600 0.076 0.000 0.986 178 S CA 0.683 58.909 58.200 0.043 0.000 0.911 178 S CB 0.043 63.277 63.200 0.057 0.000 0.805 178 S HN 0.766 nan 8.310 nan 0.000 0.501 179 T N -0.343 114.261 114.554 0.082 0.000 3.483 179 T HA 0.401 4.849 4.350 0.163 0.000 0.258 179 T C 0.635 175.375 174.700 0.068 0.000 1.013 179 T CA -0.324 61.831 62.100 0.092 0.000 1.078 179 T CB -0.460 68.488 68.868 0.134 0.000 1.111 179 T HN 0.111 nan 8.240 nan 0.000 0.538 180 L N 1.634 122.887 121.223 0.049 0.000 2.700 180 L HA 0.043 4.481 4.340 0.163 0.000 0.240 180 L C 1.690 178.591 176.870 0.051 0.000 1.162 180 L CA 0.636 55.501 54.840 0.041 0.000 0.874 180 L CB -0.581 41.493 42.059 0.027 0.000 1.001 180 L HN 0.586 nan 8.230 nan 0.000 0.447 181 N N -0.700 118.033 118.700 0.054 0.000 2.282 181 N HA 0.085 4.923 4.740 0.163 0.000 0.185 181 N C 0.729 176.272 175.510 0.055 0.000 1.099 181 N CA 0.156 53.237 53.050 0.052 0.000 0.878 181 N CB 0.126 38.641 38.487 0.046 0.000 0.993 181 N HN 0.087 nan 8.380 nan 0.000 0.481 182 A N 0.491 123.348 122.820 0.061 0.000 2.466 182 A HA 0.126 4.544 4.320 0.163 0.000 0.238 182 A C -0.342 177.278 177.584 0.059 0.000 1.074 182 A CA -0.223 51.850 52.037 0.060 0.000 0.774 182 A CB -0.029 19.013 19.000 0.070 0.000 1.015 182 A HN 0.241 nan 8.150 nan 0.000 0.498 183 D N 0.813 121.242 120.400 0.049 0.000 2.493 183 D HA 0.307 5.045 4.640 0.163 0.000 0.240 183 D C 0.081 176.414 176.300 0.054 0.000 1.142 183 D CA 0.745 54.773 54.000 0.047 0.000 0.872 183 D CB 0.281 41.102 40.800 0.034 0.000 1.173 183 D HN 0.381 nan 8.370 nan 0.000 0.467 184 L N 1.436 122.700 121.223 0.068 0.000 2.399 184 L HA 0.457 4.895 4.340 0.163 0.000 0.266 184 L C 0.888 177.788 176.870 0.050 0.000 1.114 184 L CA -0.987 53.901 54.840 0.081 0.000 0.804 184 L CB 0.817 42.960 42.059 0.140 0.000 1.146 184 L HN 0.330 nan 8.230 nan 0.000 0.451 185 A N 2.247 125.092 122.820 0.042 0.000 2.462 185 A HA 0.507 4.925 4.320 0.163 0.000 0.243 185 A C -0.341 177.250 177.584 0.012 0.000 1.076 185 A CA -0.230 51.818 52.037 0.019 0.000 0.773 185 A CB 0.340 19.345 19.000 0.008 0.000 1.010 185 A HN 0.414 nan 8.150 nan 0.000 0.493 186 V N 3.188 123.100 119.914 -0.005 0.000 2.495 186 V HA 0.419 4.637 4.120 0.163 0.000 0.298 186 V C -0.751 175.323 176.094 -0.033 0.000 1.031 186 V CA -0.238 62.049 62.300 -0.022 0.000 0.871 186 V CB 1.418 33.227 31.823 -0.022 0.000 0.988 186 V HN 0.694 nan 8.190 nan 0.000 0.432 187 I N 4.151 124.685 120.570 -0.061 0.000 2.382 187 I HA 0.485 4.753 4.170 0.163 0.000 0.286 187 I C 0.367 176.425 176.117 -0.098 0.000 1.002 187 I CA 0.052 61.304 61.300 -0.081 0.000 1.135 187 I CB 2.174 40.071 38.000 -0.172 0.000 1.288 187 I HN 0.769 nan 8.210 nan 0.000 0.448 188 T N 4.847 119.351 114.554 -0.084 0.000 2.824 188 T HA 0.875 5.324 4.350 0.163 0.000 0.280 188 T C -0.365 174.201 174.700 -0.224 0.000 0.995 188 T CA -0.635 61.398 62.100 -0.112 0.000 1.009 188 T CB 1.451 70.289 68.868 -0.051 0.000 0.955 188 T HN 0.459 nan 8.240 nan 0.000 0.452 189 V N 0.110 119.829 119.914 -0.326 0.000 2.962 189 V HA 0.826 5.044 4.120 0.163 0.000 0.313 189 V C -0.343 175.596 176.094 -0.258 0.000 1.099 189 V CA -0.921 61.074 62.300 -0.508 0.000 0.971 189 V CB 1.783 33.072 31.823 -0.890 0.000 1.028 189 V HN 0.985 nan 8.190 nan 0.000 0.430 190 T N 2.721 117.277 114.554 0.003 0.000 2.749 190 T HA 0.361 4.809 4.350 0.163 0.000 0.287 190 T C -0.035 174.732 174.700 0.111 0.000 0.970 190 T CA -0.356 61.791 62.100 0.078 0.000 0.980 190 T CB 0.892 69.835 68.868 0.125 0.000 0.924 190 T HN 0.961 nan 8.240 nan 0.000 0.456 191 K N 1.885 122.399 120.400 0.189 0.000 2.548 191 K HA 0.067 4.485 4.320 0.163 0.000 0.277 191 K C 1.436 178.148 176.600 0.186 0.000 1.001 191 K CA 1.559 58.027 56.287 0.301 0.000 1.102 191 K CB -0.297 32.419 32.500 0.360 0.000 0.848 191 K HN 0.935 nan 8.250 nan 0.000 0.487 192 G N 3.070 111.978 108.800 0.179 0.000 2.299 192 G HA2 -0.268 3.790 3.960 0.163 0.000 0.237 192 G HA3 -0.268 3.790 3.960 0.163 0.000 0.237 192 G C -0.064 174.878 174.900 0.069 0.000 1.027 192 G CA 0.226 45.391 45.100 0.108 0.000 0.619 192 G HN 0.592 nan 8.290 nan 0.000 0.513 193 K N 0.570 121.015 120.400 0.075 0.000 2.126 193 K HA 0.614 5.032 4.320 0.163 0.000 0.257 193 K C 0.281 176.831 176.600 -0.083 0.000 1.007 193 K CA -0.281 55.974 56.287 -0.054 0.000 0.928 193 K CB 0.726 33.149 32.500 -0.127 0.000 1.013 193 K HN 0.277 nan 8.250 nan 0.000 0.473 194 R N 1.500 121.809 120.500 -0.319 0.000 2.621 194 R HA 0.331 4.769 4.340 0.163 0.000 0.292 194 R C -1.348 174.653 176.300 -0.497 0.000 0.969 194 R CA -0.696 55.290 56.100 -0.191 0.000 0.887 194 R CB 1.193 31.466 30.300 -0.045 0.000 1.180 194 R HN 0.464 nan 8.270 nan 0.000 0.450 195 Y N 0.860 121.031 120.300 -0.215 0.000 2.376 195 Y HA 0.358 5.006 4.550 0.163 0.000 0.340 195 Y C 0.264 175.752 175.900 -0.686 0.000 0.965 195 Y CA -0.863 56.892 58.100 -0.576 0.000 1.078 195 Y CB 1.793 39.608 38.460 -1.075 0.000 1.193 195 Y HN 0.224 nan 8.280 nan 0.000 0.452 196 R N 4.681 124.763 120.500 -0.697 0.000 2.308 196 R HA 0.295 4.733 4.340 0.163 0.000 0.325 196 R C -1.468 174.407 176.300 -0.710 0.000 1.161 196 R CA -0.229 55.386 56.100 -0.808 0.000 1.022 196 R CB -0.243 29.281 30.300 -1.293 0.000 1.091 196 R HN 0.619 nan 8.270 nan 0.000 0.497 197 F N 3.035 122.632 119.950 -0.588 0.000 2.427 197 F HA 0.318 4.942 4.527 0.163 0.000 0.352 197 F C 0.924 176.329 175.800 -0.658 0.000 1.100 197 F CA -0.438 57.152 58.000 -0.684 0.000 1.191 197 F CB 1.072 39.458 39.000 -1.023 0.000 1.128 197 F HN 0.192 nan 8.300 nan 0.000 0.533 198 R N 3.800 124.190 120.500 -0.182 0.000 2.320 198 R HA 0.398 4.836 4.340 0.163 0.000 0.319 198 R C -1.417 174.794 176.300 -0.148 0.000 0.969 198 R CA -0.877 55.115 56.100 -0.180 0.000 0.857 198 R CB 1.358 31.564 30.300 -0.158 0.000 1.160 198 R HN 0.473 nan 8.270 nan 0.000 0.491 199 L N 4.564 125.703 121.223 -0.140 0.000 2.265 199 L HA 0.418 4.856 4.340 0.163 0.000 0.289 199 L C -0.922 175.816 176.870 -0.220 0.000 1.033 199 L CA -0.508 54.228 54.840 -0.173 0.000 0.814 199 L CB 1.528 43.489 42.059 -0.163 0.000 1.203 199 L HN 0.272 nan 8.230 nan 0.000 0.423 200 V N 2.631 122.380 119.914 -0.275 0.000 2.459 200 V HA 0.539 4.757 4.120 0.163 0.000 0.295 200 V C 0.284 176.099 176.094 -0.465 0.000 1.029 200 V CA -0.665 61.393 62.300 -0.403 0.000 0.874 200 V CB 1.293 32.858 31.823 -0.430 0.000 0.985 200 V HN 0.786 nan 8.190 nan 0.000 0.438 201 S N 3.824 119.178 115.700 -0.577 0.000 2.411 201 S HA 0.504 5.072 4.470 0.163 0.000 0.294 201 S C 0.494 174.477 174.600 -1.028 0.000 1.115 201 S CA -0.614 57.259 58.200 -0.544 0.000 1.071 201 S CB 0.160 63.144 63.200 -0.362 0.000 0.967 201 S HN 0.666 nan 8.310 nan 0.000 0.488 202 L N 3.838 124.584 121.223 -0.795 0.000 2.628 202 L HA 0.252 4.690 4.340 0.163 0.000 0.229 202 L C 1.285 178.040 176.870 -0.191 0.000 1.137 202 L CA -0.250 54.101 54.840 -0.814 0.000 0.909 202 L CB -0.126 41.749 42.059 -0.306 0.000 1.137 202 L HN 0.574 nan 8.230 nan 0.000 0.470 203 S N -0.774 114.829 115.700 -0.161 0.000 2.558 203 S HA -0.066 4.502 4.470 0.163 0.000 0.288 203 S C 1.183 175.882 174.600 0.164 0.000 1.318 203 S CA -0.445 57.786 58.200 0.052 0.000 1.056 203 S CB 0.842 64.049 63.200 0.011 0.000 0.853 203 S HN 0.349 nan 8.310 nan 0.000 0.505 204 c N 3.574 122.230 118.600 0.093 0.000 2.618 204 c HA 0.256 4.924 4.570 0.163 0.000 0.264 204 c C 1.415 175.484 174.090 -0.035 0.000 1.334 204 c CA 0.459 56.719 56.329 -0.116 0.000 1.731 204 c CB -1.478 40.755 42.510 -0.462 0.000 1.852 204 c HN 1.057 nan 8.230 nan 0.000 0.566 205 D N -1.453 118.998 120.400 0.084 0.000 2.203 205 D HA 0.067 4.805 4.640 0.163 0.000 0.086 205 D C -2.364 173.949 176.300 0.022 0.000 1.493 205 D CA 0.141 54.201 54.000 0.099 0.000 1.159 205 D CB -0.371 40.598 40.800 0.282 0.000 2.735 205 D HN 0.021 nan 8.370 nan 0.000 0.214 206 P HA 0.209 nan 4.420 nan 0.000 0.272 206 P C -0.978 176.094 177.300 -0.381 0.000 1.230 206 P CA 0.015 62.982 63.100 -0.222 0.000 0.788 206 P CB 0.345 31.859 31.700 -0.311 0.000 0.949 207 N N -0.305 118.151 118.700 -0.405 0.000 2.456 207 N HA 0.333 5.171 4.740 0.163 0.000 0.296 207 N C -1.004 174.182 175.510 -0.539 0.000 1.102 207 N CA -0.668 52.065 53.050 -0.528 0.000 0.924 207 N CB 0.515 38.531 38.487 -0.784 0.000 1.186 207 N HN 0.395 nan 8.380 nan 0.000 0.492 208 H N -0.836 118.108 119.070 -0.210 0.000 2.489 208 H HA 0.407 5.060 4.556 0.163 0.000 0.343 208 H C -0.647 174.631 175.328 -0.083 0.000 1.086 208 H CA -0.941 55.046 56.048 -0.102 0.000 1.198 208 H CB 1.732 31.474 29.762 -0.034 0.000 1.490 208 H HN 0.525 nan 8.280 nan 0.000 0.504 209 T N 4.077 118.675 114.554 0.073 0.000 2.727 209 T HA 0.132 4.580 4.350 0.163 0.000 0.298 209 T C -0.754 174.014 174.700 0.114 0.000 0.942 209 T CA -0.363 61.768 62.100 0.051 0.000 0.997 209 T CB -0.277 68.598 68.868 0.011 0.000 0.917 209 T HN 0.294 nan 8.240 nan 0.000 0.487 210 F N 4.395 124.310 119.950 -0.058 0.000 2.411 210 F HA 0.574 5.199 4.527 0.164 0.000 0.352 210 F C 0.275 175.988 175.800 -0.145 0.000 1.123 210 F CA -0.465 57.482 58.000 -0.088 0.000 1.044 210 F CB 0.777 39.713 39.000 -0.106 0.000 1.135 210 F HN 0.556 nan 8.300 nan 0.000 0.461 211 S N 5.791 121.080 115.700 -0.684 0.000 2.618 211 S HA 0.778 5.346 4.470 0.163 0.000 0.277 211 S C -1.139 173.002 174.600 -0.764 0.000 1.138 211 S CA -0.901 56.944 58.200 -0.591 0.000 0.844 211 S CB 1.899 64.915 63.200 -0.307 0.000 1.127 211 S HN 0.554 nan 8.310 nan 0.000 0.474 212 I N 1.556 121.836 120.570 -0.484 0.000 2.447 212 I HA 0.323 4.591 4.170 0.163 0.000 0.287 212 I C -1.045 175.015 176.117 -0.094 0.000 1.023 212 I CA -0.719 60.401 61.300 -0.299 0.000 1.083 212 I CB 1.753 39.596 38.000 -0.263 0.000 1.245 212 I HN 0.587 nan 8.210 nan 0.000 0.434 213 D N 4.899 125.300 120.400 0.002 0.000 2.493 213 D HA 0.201 4.939 4.640 0.163 0.000 0.240 213 D C 1.211 177.612 176.300 0.168 0.000 1.142 213 D CA 1.366 55.422 54.000 0.094 0.000 0.872 213 D CB 1.053 41.966 40.800 0.189 0.000 1.173 213 D HN 0.915 nan 8.370 nan 0.000 0.467 214 G N 1.879 110.713 108.800 0.056 0.000 2.212 214 G HA2 -0.274 3.784 3.960 0.163 0.000 0.266 214 G HA3 -0.274 3.784 3.960 0.163 0.000 0.266 214 G C 0.127 174.841 174.900 -0.310 0.000 0.978 214 G CA 0.455 45.496 45.100 -0.098 0.000 0.632 214 G HN 0.661 nan 8.290 nan 0.000 0.537 215 H N 0.205 119.193 119.070 -0.136 0.000 2.524 215 H HA 0.728 5.383 4.556 0.164 0.000 0.353 215 H C 0.074 175.360 175.328 -0.071 0.000 1.136 215 H CA 0.033 56.023 56.048 -0.096 0.000 1.193 215 H CB 1.814 31.523 29.762 -0.087 0.000 1.558 215 H HN 0.171 nan 8.280 nan 0.000 0.515 216 S N 1.851 117.591 115.700 0.067 0.000 2.632 216 S HA 0.501 5.069 4.470 0.163 0.000 0.271 216 S C -0.540 174.103 174.600 0.071 0.000 1.260 216 S CA -0.792 57.428 58.200 0.032 0.000 1.010 216 S CB 0.449 63.660 63.200 0.018 0.000 0.965 216 S HN 0.355 nan 8.310 nan 0.000 0.534 217 L N 1.930 123.157 121.223 0.006 0.000 2.372 217 L HA 0.404 4.842 4.340 0.163 0.000 0.274 217 L C -0.384 176.531 176.870 0.075 0.000 0.988 217 L CA -0.589 54.263 54.840 0.021 0.000 0.833 217 L CB 1.587 43.431 42.059 -0.359 0.000 1.236 217 L HN 0.454 nan 8.230 nan 0.000 0.410 218 T N 2.875 117.537 114.554 0.180 0.000 2.747 218 T HA 0.310 4.758 4.350 0.163 0.000 0.301 218 T C 0.240 175.022 174.700 0.137 0.000 0.952 218 T CA -0.258 61.913 62.100 0.119 0.000 0.983 218 T CB 0.834 69.760 68.868 0.096 0.000 0.930 218 T HN 0.191 nan 8.240 nan 0.000 0.494 219 V N 6.242 126.207 119.914 0.085 0.000 2.498 219 V HA 0.333 4.551 4.120 0.163 0.000 0.279 219 V C 1.167 177.287 176.094 0.043 0.000 1.048 219 V CA -0.121 62.237 62.300 0.096 0.000 0.967 219 V CB 0.749 32.587 31.823 0.025 0.000 0.988 219 V HN 0.922 nan 8.190 nan 0.000 0.473 220 I N 0.721 121.304 120.570 0.023 0.000 4.541 220 I HA 0.595 4.863 4.170 0.163 0.000 0.337 220 I C 0.255 176.406 176.117 0.056 0.000 1.338 220 I CA 0.021 61.250 61.300 -0.117 0.000 1.244 220 I CB 0.686 38.375 38.000 -0.518 0.000 1.417 220 I HN 0.596 nan 8.210 nan 0.000 0.501 221 E N 1.719 121.976 120.200 0.096 0.000 2.388 221 E HA 0.739 5.187 4.350 0.163 0.000 0.289 221 E C -1.669 174.968 176.600 0.062 0.000 0.944 221 E CA -0.669 55.777 56.400 0.077 0.000 0.792 221 E CB 2.466 32.182 29.700 0.027 0.000 1.239 221 E HN 0.341 nan 8.360 nan 0.000 0.412 222 A N 3.609 126.423 122.820 -0.010 0.000 2.343 222 A HA 0.528 4.946 4.320 0.163 0.000 0.308 222 A C -0.700 176.733 177.584 -0.251 0.000 1.092 222 A CA -0.525 51.407 52.037 -0.175 0.000 0.751 222 A CB 0.839 19.812 19.000 -0.045 0.000 1.203 222 A HN 0.764 nan 8.150 nan 0.000 0.452 223 D N 1.855 122.026 120.400 -0.380 0.000 2.692 223 D HA -0.174 4.564 4.640 0.163 0.000 0.233 223 D C 0.654 176.747 176.300 -0.346 0.000 1.172 223 D CA 1.941 55.734 54.000 -0.344 0.000 0.636 223 D CB -1.549 39.090 40.800 -0.268 0.000 1.028 223 D HN 1.116 nan 8.370 nan 0.000 0.419 224 S N -3.813 111.636 115.700 -0.418 0.000 3.482 224 S HA -0.200 4.368 4.470 0.163 0.000 0.294 224 S C 0.172 174.643 174.600 -0.215 0.000 1.244 224 S CA 0.667 58.587 58.200 -0.467 0.000 0.911 224 S CB -1.629 61.070 63.200 -0.834 0.000 1.070 224 S HN 0.998 nan 8.310 nan 0.000 0.614 225 V N 0.821 120.658 119.914 -0.129 0.000 2.588 225 V HA 0.672 4.890 4.120 0.163 0.000 0.304 225 V C -0.452 175.645 176.094 0.006 0.000 1.042 225 V CA -1.003 61.273 62.300 -0.041 0.000 0.877 225 V CB 1.758 33.580 31.823 -0.002 0.000 0.996 225 V HN 0.251 nan 8.190 nan 0.000 0.425 226 N N 5.673 124.392 118.700 0.031 0.000 2.492 226 N HA 0.435 5.273 4.740 0.163 0.000 0.262 226 N C -0.486 175.099 175.510 0.124 0.000 1.202 226 N CA 0.158 53.272 53.050 0.107 0.000 0.926 226 N CB 0.957 39.473 38.487 0.048 0.000 1.078 226 N HN 0.730 nan 8.380 nan 0.000 0.454 227 L N 0.828 122.171 121.223 0.201 0.000 2.304 227 L HA 0.483 4.921 4.340 0.163 0.000 0.268 227 L C 0.692 177.684 176.870 0.204 0.000 1.010 227 L CA -1.111 53.827 54.840 0.163 0.000 0.813 227 L CB 1.113 43.254 42.059 0.138 0.000 1.315 227 L HN 0.181 nan 8.230 nan 0.000 0.445 228 K N 1.158 121.644 120.400 0.144 0.000 2.412 228 K HA 0.204 4.622 4.320 0.163 0.000 0.281 228 K C -2.332 174.331 176.600 0.104 0.000 1.027 228 K CA -1.549 54.819 56.287 0.136 0.000 0.989 228 K CB 0.050 32.606 32.500 0.094 0.000 0.935 228 K HN 0.215 nan 8.250 nan 0.000 0.475 229 P HA -0.102 nan 4.420 nan 0.000 0.262 229 P C -1.014 176.307 177.300 0.034 0.000 1.182 229 P CA 0.330 63.440 63.100 0.018 0.000 0.761 229 P CB 0.428 32.132 31.700 0.007 0.000 0.795 230 Q N 2.014 121.831 119.800 0.028 0.000 2.295 230 Q HA 0.377 4.815 4.340 0.163 0.000 0.259 230 Q C -1.020 174.990 176.000 0.015 0.000 0.966 230 Q CA -0.508 55.310 55.803 0.026 0.000 0.763 230 Q CB 1.099 29.854 28.738 0.029 0.000 1.283 230 Q HN 0.344 nan 8.270 nan 0.000 0.445 231 T N 2.882 117.446 114.554 0.015 0.000 2.780 231 T HA 0.632 5.080 4.350 0.163 0.000 0.294 231 T C -0.241 174.453 174.700 -0.010 0.000 0.949 231 T CA 0.090 62.197 62.100 0.011 0.000 1.074 231 T CB 0.417 69.301 68.868 0.026 0.000 0.910 231 T HN 0.624 nan 8.240 nan 0.000 0.501 232 V N 2.377 122.271 119.914 -0.032 0.000 3.102 232 V HA 0.602 4.820 4.120 0.163 0.000 0.312 232 V C 0.490 176.543 176.094 -0.068 0.000 1.135 232 V CA -0.750 61.517 62.300 -0.055 0.000 1.022 232 V CB 2.021 33.791 31.823 -0.087 0.000 1.056 232 V HN 0.696 nan 8.190 nan 0.000 0.436 233 D N 0.881 121.240 120.400 -0.068 0.000 2.183 233 D HA 0.164 4.902 4.640 0.163 0.000 0.205 233 D C 0.905 177.141 176.300 -0.107 0.000 0.962 233 D CA 1.865 55.821 54.000 -0.074 0.000 0.849 233 D CB 0.573 41.339 40.800 -0.056 0.000 0.978 233 D HN 1.012 nan 8.370 nan 0.000 0.488 234 S N -1.537 114.099 115.700 -0.107 0.000 2.672 234 S HA 0.630 5.198 4.470 0.163 0.000 0.271 234 S C -1.003 173.534 174.600 -0.105 0.000 1.171 234 S CA -0.921 57.211 58.200 -0.113 0.000 0.817 234 S CB 1.903 65.050 63.200 -0.089 0.000 1.150 234 S HN -0.017 nan 8.310 nan 0.000 0.478 235 I N 0.772 121.298 120.570 -0.073 0.000 2.610 235 I HA 0.357 4.625 4.170 0.163 0.000 0.289 235 I C -0.960 175.140 176.117 -0.030 0.000 1.163 235 I CA -0.196 61.037 61.300 -0.111 0.000 1.044 235 I CB 2.266 40.148 38.000 -0.197 0.000 1.251 235 I HN 0.802 nan 8.210 nan 0.000 0.424 236 Q N 6.606 126.389 119.800 -0.028 0.000 2.256 236 Q HA 0.631 5.069 4.340 0.163 0.000 0.254 236 Q C -1.415 174.583 176.000 -0.004 0.000 0.916 236 Q CA -0.358 55.404 55.803 -0.069 0.000 0.932 236 Q CB 1.976 30.669 28.738 -0.075 0.000 1.207 236 Q HN 0.625 nan 8.270 nan 0.000 0.426 237 I N 3.439 123.936 120.570 -0.121 0.000 2.569 237 I HA 0.439 4.707 4.170 0.163 0.000 0.290 237 I C -1.653 174.343 176.117 -0.202 0.000 1.088 237 I CA -0.824 60.509 61.300 0.055 0.000 1.047 237 I CB 1.143 39.209 38.000 0.109 0.000 1.237 237 I HN 0.602 nan 8.210 nan 0.000 0.421 238 F N 5.035 124.977 119.950 -0.013 0.000 2.483 238 F HA 0.645 5.269 4.527 0.163 0.000 0.329 238 F C 0.874 176.586 175.800 -0.146 0.000 1.064 238 F CA -0.690 57.275 58.000 -0.058 0.000 0.986 238 F CB 1.409 40.400 39.000 -0.014 0.000 1.218 238 F HN 0.513 nan 8.300 nan 0.000 0.484 239 A N 1.732 124.572 122.820 0.034 0.000 2.573 239 A HA 0.290 4.708 4.320 0.163 0.000 0.266 239 A C 1.028 178.427 177.584 -0.307 0.000 1.007 239 A CA 0.858 52.831 52.037 -0.106 0.000 0.878 239 A CB -1.349 17.673 19.000 0.035 0.000 0.886 239 A HN 1.998 nan 8.150 nan 0.000 0.507 240 A N 1.701 124.194 122.820 -0.546 0.000 3.410 240 A HA -0.175 4.243 4.320 0.163 0.000 0.253 240 A C 0.486 177.743 177.584 -0.545 0.000 1.178 240 A CA 1.340 52.983 52.037 -0.658 0.000 1.334 240 A CB -2.276 16.224 19.000 -0.834 0.000 1.097 240 A HN 0.969 nan 8.150 nan 0.000 0.921 241 Q N -0.239 119.325 119.800 -0.393 0.000 2.288 241 Q HA 0.508 4.946 4.340 0.163 0.000 0.254 241 Q C -0.121 175.612 176.000 -0.444 0.000 0.932 241 Q CA -0.381 55.206 55.803 -0.359 0.000 0.902 241 Q CB 0.520 29.122 28.738 -0.226 0.000 1.203 241 Q HN 0.499 nan 8.270 nan 0.000 0.415 242 R N 1.738 121.948 120.500 -0.484 0.000 2.407 242 R HA 0.459 4.897 4.340 0.163 0.000 0.303 242 R C -1.311 174.639 176.300 -0.583 0.000 0.981 242 R CA -0.356 55.471 56.100 -0.454 0.000 0.905 242 R CB 0.535 30.606 30.300 -0.383 0.000 1.099 242 R HN 0.468 nan 8.270 nan 0.000 0.459 243 Y N -0.369 119.849 120.300 -0.137 0.000 2.406 243 Y HA 0.403 5.052 4.550 0.164 0.000 0.340 243 Y C -0.208 175.662 175.900 -0.049 0.000 0.975 243 Y CA -0.717 57.349 58.100 -0.056 0.000 1.056 243 Y CB 2.351 40.819 38.460 0.014 0.000 1.210 243 Y HN 0.532 nan 8.280 nan 0.000 0.448 244 S N 4.718 120.476 115.700 0.096 0.000 2.475 244 S HA 0.638 5.206 4.470 0.163 0.000 0.281 244 S C -0.938 173.726 174.600 0.106 0.000 1.198 244 S CA -0.612 57.581 58.200 -0.013 0.000 1.063 244 S CB -0.132 63.014 63.200 -0.091 0.000 0.972 244 S HN 0.469 nan 8.310 nan 0.000 0.486 245 F N 0.263 120.224 119.950 0.020 0.000 2.563 245 F HA 0.807 5.432 4.527 0.163 0.000 0.316 245 F C -0.870 174.957 175.800 0.045 0.000 1.076 245 F CA -1.429 56.592 58.000 0.035 0.000 0.921 245 F CB 0.557 39.594 39.000 0.061 0.000 1.209 245 F HN 0.193 nan 8.300 nan 0.000 0.462 246 V N 4.055 124.065 119.914 0.159 0.000 2.465 246 V HA 0.365 4.584 4.120 0.163 0.000 0.279 246 V C -0.349 175.937 176.094 0.321 0.000 1.045 246 V CA -0.563 61.809 62.300 0.120 0.000 0.938 246 V CB 1.331 33.222 31.823 0.113 0.000 0.986 246 V HN 0.841 nan 8.190 nan 0.000 0.467 247 L N 5.017 126.426 121.223 0.310 0.000 2.325 247 L HA 0.538 4.976 4.340 0.163 0.000 0.281 247 L C 0.018 177.065 176.870 0.296 0.000 1.004 247 L CA -0.245 54.835 54.840 0.400 0.000 0.823 247 L CB 1.295 43.708 42.059 0.591 0.000 1.236 247 L HN 0.700 nan 8.230 nan 0.000 0.415 248 N N 3.768 122.626 118.700 0.264 0.000 2.406 248 N HA 0.351 5.189 4.740 0.163 0.000 0.251 248 N C 0.011 175.699 175.510 0.297 0.000 1.069 248 N CA -0.230 52.954 53.050 0.223 0.000 0.947 248 N CB 1.181 39.761 38.487 0.155 0.000 1.111 248 N HN 0.780 nan 8.380 nan 0.000 0.497 249 A N 3.337 126.334 122.820 0.294 0.000 3.030 249 A HA 0.010 4.428 4.320 0.163 0.000 0.273 249 A C 0.534 178.359 177.584 0.402 0.000 1.841 249 A CA -0.031 52.179 52.037 0.287 0.000 1.479 249 A CB -0.234 18.839 19.000 0.122 0.000 1.048 249 A HN 0.803 nan 8.150 nan 0.000 0.612 250 D N -0.367 120.270 120.400 0.395 0.000 2.379 250 D HA 0.032 4.770 4.640 0.163 0.000 0.218 250 D C 0.964 177.333 176.300 0.116 0.000 1.006 250 D CA 0.848 54.967 54.000 0.198 0.000 0.893 250 D CB 0.265 41.118 40.800 0.089 0.000 1.019 250 D HN 0.495 nan 8.370 nan 0.000 0.503 251 Q N 0.844 120.682 119.800 0.063 0.000 2.222 251 Q HA 0.172 4.610 4.340 0.163 0.000 0.211 251 Q C -0.443 175.427 176.000 -0.217 0.000 1.013 251 Q CA -0.354 55.351 55.803 -0.164 0.000 0.993 251 Q CB 0.160 28.635 28.738 -0.437 0.000 1.151 251 Q HN 0.082 nan 8.270 nan 0.000 0.544 252 D N 0.401 120.713 120.400 -0.147 0.000 2.533 252 D HA -0.003 4.735 4.640 0.163 0.000 0.236 252 D C -0.339 175.753 176.300 -0.347 0.000 1.137 252 D CA 0.183 54.095 54.000 -0.148 0.000 0.867 252 D CB 0.362 41.121 40.800 -0.068 0.000 1.170 252 D HN 0.087 nan 8.370 nan 0.000 0.474 253 V N 3.881 123.626 119.914 -0.280 0.000 2.555 253 V HA -0.009 4.209 4.120 0.163 0.000 0.299 253 V C 0.617 176.603 176.094 -0.180 0.000 1.012 253 V CA 1.009 63.177 62.300 -0.220 0.000 1.180 253 V CB -0.019 31.813 31.823 0.015 0.000 0.887 253 V HN 0.578 nan 8.190 nan 0.000 0.476 254 D N 3.042 123.343 120.400 -0.165 0.000 2.764 254 D HA 0.245 4.983 4.640 0.163 0.000 0.293 254 D C -0.983 175.181 176.300 -0.227 0.000 1.287 254 D CA -0.742 53.081 54.000 -0.296 0.000 0.768 254 D CB 1.401 41.819 40.800 -0.638 0.000 1.288 254 D HN 0.512 nan 8.370 nan 0.000 0.426 255 N N 0.271 118.735 118.700 -0.393 0.000 2.479 255 N HA 0.497 5.335 4.740 0.163 0.000 0.285 255 N C -1.124 174.033 175.510 -0.587 0.000 1.075 255 N CA -0.149 52.698 53.050 -0.339 0.000 0.967 255 N CB 1.065 39.347 38.487 -0.342 0.000 1.137 255 N HN 0.170 nan 8.380 nan 0.000 0.472 256 Y N -0.047 120.144 120.300 -0.182 0.000 2.477 256 Y HA 0.320 4.968 4.550 0.163 0.000 0.347 256 Y C -0.690 175.093 175.900 -0.194 0.000 0.981 256 Y CA -0.893 57.120 58.100 -0.146 0.000 1.033 256 Y CB 1.128 39.608 38.460 0.033 0.000 1.245 256 Y HN 0.473 nan 8.280 nan 0.000 0.455 257 W N 4.252 125.567 121.300 0.025 0.000 2.304 257 W HA 0.474 5.231 4.660 0.163 0.000 0.313 257 W C -0.515 175.908 176.519 -0.161 0.000 1.323 257 W CA -0.232 57.054 57.345 -0.098 0.000 1.223 257 W CB 0.463 29.811 29.460 -0.188 0.000 1.237 257 W HN 0.239 nan 8.180 nan 0.000 0.535 258 I N 4.717 125.361 120.570 0.123 0.000 2.365 258 I HA 0.340 4.608 4.170 0.163 0.000 0.291 258 I C 0.236 176.272 176.117 -0.134 0.000 1.004 258 I CA -0.573 60.662 61.300 -0.108 0.000 1.311 258 I CB 0.695 38.653 38.000 -0.071 0.000 1.401 258 I HN 0.302 nan 8.210 nan 0.000 0.491 259 R N 5.148 125.437 120.500 -0.352 0.000 2.532 259 R HA 0.728 5.166 4.340 0.163 0.000 0.297 259 R C -1.014 175.242 176.300 -0.072 0.000 0.984 259 R CA -0.789 55.148 56.100 -0.271 0.000 0.884 259 R CB 2.150 32.076 30.300 -0.623 0.000 1.182 259 R HN 0.702 nan 8.270 nan 0.000 0.442 260 A N 4.399 127.339 122.820 0.201 0.000 2.893 260 A HA 0.231 4.649 4.320 0.163 0.000 0.333 260 A C -0.610 177.089 177.584 0.192 0.000 1.152 260 A CA -0.552 51.591 52.037 0.177 0.000 0.782 260 A CB 0.574 19.591 19.000 0.029 0.000 1.108 260 A HN 0.609 nan 8.150 nan 0.000 0.469 261 L N 3.695 125.037 121.223 0.199 0.000 2.433 261 L HA 0.270 4.708 4.340 0.163 0.000 0.275 261 L C -2.219 174.671 176.870 0.034 0.000 1.128 261 L CA -1.227 53.612 54.840 -0.001 0.000 0.875 261 L CB 1.296 43.359 42.059 0.008 0.000 1.171 261 L HN 0.336 nan 8.230 nan 0.000 0.463 262 P HA 0.121 nan 4.420 nan 0.000 0.276 262 P C -0.277 176.941 177.300 -0.137 0.000 1.244 262 P CA -0.403 62.648 63.100 -0.083 0.000 0.801 262 P CB 0.421 32.086 31.700 -0.060 0.000 1.006 263 N N -0.672 117.927 118.700 -0.169 0.000 2.398 263 N HA 0.027 4.865 4.740 0.163 0.000 0.188 263 N C -0.146 175.299 175.510 -0.109 0.000 1.122 263 N CA -0.258 52.716 53.050 -0.127 0.000 0.866 263 N CB 0.060 38.473 38.487 -0.123 0.000 0.970 263 N HN 0.376 nan 8.380 nan 0.000 0.462 264 S N -2.401 113.231 115.700 -0.114 0.000 2.596 264 S HA 0.743 5.312 4.470 0.163 0.000 0.270 264 S C 0.318 174.855 174.600 -0.104 0.000 1.155 264 S CA -0.388 57.753 58.200 -0.099 0.000 0.827 264 S CB 1.537 64.688 63.200 -0.081 0.000 1.130 264 S HN 0.553 nan 8.310 nan 0.000 0.467 265 G N 1.277 110.016 108.800 -0.101 0.000 2.512 265 G HA2 -0.156 3.902 3.960 0.163 0.000 0.254 265 G HA3 -0.156 3.902 3.960 0.163 0.000 0.254 265 G C -0.076 174.746 174.900 -0.128 0.000 1.199 265 G CA -0.152 44.881 45.100 -0.113 0.000 0.941 265 G HN 1.752 nan 8.290 nan 0.000 0.569 266 T N 2.070 116.537 114.554 -0.145 0.000 2.784 266 T HA 0.456 4.904 4.350 0.163 0.000 0.291 266 T C 0.991 175.564 174.700 -0.210 0.000 0.942 266 T CA 0.555 62.554 62.100 -0.167 0.000 1.161 266 T CB 0.345 69.111 68.868 -0.170 0.000 0.885 266 T HN 0.554 nan 8.240 nan 0.000 0.534 267 R N 3.529 123.897 120.500 -0.220 0.000 2.989 267 R HA 0.280 4.718 4.340 0.163 0.000 0.340 267 R C -0.279 175.816 176.300 -0.342 0.000 1.205 267 R CA -0.480 55.457 56.100 -0.272 0.000 1.235 267 R CB 0.212 30.402 30.300 -0.185 0.000 1.394 267 R HN 0.498 nan 8.270 nan 0.000 0.598 268 N N -0.350 118.073 118.700 -0.462 0.000 2.647 268 N HA 0.316 5.154 4.740 0.163 0.000 0.266 268 N C -0.379 174.700 175.510 -0.719 0.000 1.373 268 N CA -0.557 52.235 53.050 -0.430 0.000 0.807 268 N CB 1.051 39.398 38.487 -0.234 0.000 1.513 268 N HN -0.010 nan 8.380 nan 0.000 0.505 269 F N 0.244 120.085 119.950 -0.182 0.000 2.661 269 F HA 0.390 5.015 4.527 0.163 0.000 0.306 269 F C 1.198 176.839 175.800 -0.265 0.000 1.094 269 F CA -0.466 57.370 58.000 -0.273 0.000 1.254 269 F CB 0.348 39.124 39.000 -0.374 0.000 1.040 269 F HN 0.419 nan 8.300 nan 0.000 0.562 270 A N 0.735 123.509 122.820 -0.077 0.000 2.591 270 A HA 0.307 4.725 4.320 0.163 0.000 0.244 270 A C 1.641 179.185 177.584 -0.066 0.000 1.031 270 A CA 0.984 52.982 52.037 -0.064 0.000 0.767 270 A CB -0.882 18.080 19.000 -0.063 0.000 0.942 270 A HN 1.049 nan 8.150 nan 0.000 0.514 271 G N 1.483 110.258 108.800 -0.042 0.000 2.187 271 G HA2 0.134 4.192 3.960 0.163 0.000 0.261 271 G HA3 0.134 4.192 3.960 0.163 0.000 0.261 271 G C 1.645 176.532 174.900 -0.022 0.000 1.000 271 G CA 1.075 46.168 45.100 -0.013 0.000 0.718 271 G HN 2.941 nan 8.290 nan 0.000 0.519 272 G N -2.662 106.057 108.800 -0.135 0.000 2.137 272 G HA2 0.014 4.072 3.960 0.163 0.000 0.237 272 G HA3 0.014 4.072 3.960 0.163 0.000 0.237 272 G C 0.494 175.327 174.900 -0.112 0.000 1.002 272 G CA 0.539 45.507 45.100 -0.219 0.000 0.702 272 G HN 1.612 nan 8.290 nan 0.000 0.515 273 V N 0.527 120.382 119.914 -0.098 0.000 2.686 273 V HA 0.403 4.621 4.120 0.163 0.000 0.295 273 V C 1.373 177.430 176.094 -0.061 0.000 1.055 273 V CA 1.049 63.304 62.300 -0.076 0.000 1.050 273 V CB 0.716 32.474 31.823 -0.107 0.000 0.984 273 V HN 0.724 nan 8.190 nan 0.000 0.482 274 N N 2.419 121.093 118.700 -0.044 0.000 2.754 274 N HA -0.153 4.685 4.740 0.163 0.000 0.248 274 N C -0.506 175.084 175.510 0.132 0.000 1.093 274 N CA 0.648 53.696 53.050 -0.003 0.000 0.699 274 N CB -0.581 37.813 38.487 -0.156 0.000 1.016 274 N HN 0.584 nan 8.380 nan 0.000 0.552 275 S N -0.886 114.854 115.700 0.067 0.000 2.541 275 S HA 0.882 5.450 4.470 0.163 0.000 0.271 275 S C -0.543 174.149 174.600 0.152 0.000 1.133 275 S CA -0.216 58.027 58.200 0.071 0.000 0.876 275 S CB 2.425 65.531 63.200 -0.156 0.000 1.105 275 S HN 0.435 nan 8.310 nan 0.000 0.470 276 A N 1.446 124.389 122.820 0.205 0.000 2.483 276 A HA 0.926 5.344 4.320 0.163 0.000 0.286 276 A C -1.460 176.251 177.584 0.211 0.000 1.207 276 A CA -0.749 51.397 52.037 0.181 0.000 0.764 276 A CB 0.782 19.828 19.000 0.075 0.000 1.341 276 A HN 0.718 nan 8.150 nan 0.000 0.428 277 I N 0.462 121.070 120.570 0.064 0.000 2.378 277 I HA 0.335 4.603 4.170 0.163 0.000 0.291 277 I C -0.952 175.129 176.117 -0.060 0.000 0.992 277 I CA -0.523 60.742 61.300 -0.059 0.000 1.154 277 I CB 1.700 39.627 38.000 -0.123 0.000 1.315 277 I HN 0.469 nan 8.210 nan 0.000 0.448 278 L N 7.450 128.643 121.223 -0.050 0.000 2.288 278 L HA 0.391 4.829 4.340 0.163 0.000 0.283 278 L C 0.055 176.963 176.870 0.064 0.000 1.072 278 L CA -0.056 54.764 54.840 -0.034 0.000 0.862 278 L CB 0.224 42.252 42.059 -0.052 0.000 1.245 278 L HN 0.507 nan 8.230 nan 0.000 0.432 279 R N 3.459 123.963 120.500 0.008 0.000 2.221 279 R HA 0.292 4.730 4.340 0.163 0.000 0.327 279 R C -1.068 175.289 176.300 0.095 0.000 1.033 279 R CA -0.481 55.654 56.100 0.059 0.000 0.887 279 R CB 0.517 30.814 30.300 -0.004 0.000 1.057 279 R HN 0.455 nan 8.270 nan 0.000 0.455 280 Y N 1.946 122.278 120.300 0.054 0.000 2.336 280 Y HA -0.009 4.639 4.550 0.164 0.000 0.331 280 Y C 0.812 176.731 175.900 0.032 0.000 1.211 280 Y CA 0.235 58.375 58.100 0.066 0.000 1.346 280 Y CB 0.609 39.147 38.460 0.130 0.000 1.271 280 Y HN 0.510 nan 8.280 nan 0.000 0.538 281 D N 1.302 121.792 120.400 0.151 0.000 2.401 281 D HA 0.204 4.942 4.640 0.163 0.000 0.254 281 D C 0.895 177.261 176.300 0.111 0.000 1.192 281 D CA 1.693 55.750 54.000 0.096 0.000 0.885 281 D CB 0.798 41.643 40.800 0.076 0.000 1.147 281 D HN 0.908 nan 8.370 nan 0.000 0.478 282 G N 2.462 111.305 108.800 0.071 0.000 2.254 282 G HA2 -0.207 3.851 3.960 0.163 0.000 0.225 282 G HA3 -0.207 3.851 3.960 0.163 0.000 0.225 282 G C 0.492 175.414 174.900 0.036 0.000 1.003 282 G CA 0.187 45.319 45.100 0.053 0.000 0.622 282 G HN 0.838 nan 8.290 nan 0.000 0.507 283 A N 0.772 123.620 122.820 0.048 0.000 2.445 283 A HA 0.785 5.203 4.320 0.163 0.000 0.242 283 A C 1.176 178.749 177.584 -0.019 0.000 1.075 283 A CA 1.107 53.146 52.037 0.003 0.000 0.777 283 A CB 0.222 19.227 19.000 0.007 0.000 1.013 283 A HN 2.182 nan 8.150 nan 0.000 0.493 284 A N 2.875 125.667 122.820 -0.046 0.000 2.561 284 A HA 0.442 4.860 4.320 0.163 0.000 0.234 284 A C -1.836 175.715 177.584 -0.056 0.000 1.055 284 A CA -0.655 51.353 52.037 -0.049 0.000 0.756 284 A CB -0.420 18.543 19.000 -0.062 0.000 0.986 284 A HN 0.626 nan 8.150 nan 0.000 0.505 285 P HA 0.278 nan 4.420 nan 0.000 0.226 285 P C -0.795 176.473 177.300 -0.054 0.000 1.783 285 P CA 0.362 63.437 63.100 -0.042 0.000 0.980 285 P CB -0.199 31.486 31.700 -0.025 0.000 1.967 286 V N 0.177 120.041 119.914 -0.084 0.000 3.159 286 V HA 0.233 4.451 4.120 0.163 0.000 0.308 286 V C 0.389 176.384 176.094 -0.165 0.000 1.190 286 V CA -1.045 61.196 62.300 -0.098 0.000 1.037 286 V CB 2.773 34.540 31.823 -0.093 0.000 1.060 286 V HN 0.108 nan 8.190 nan 0.000 0.437 287 E N 2.879 122.979 120.200 -0.167 0.000 2.413 287 E HA 0.146 4.594 4.350 0.163 0.000 0.263 287 E C -2.316 173.991 176.600 -0.488 0.000 1.015 287 E CA -1.138 55.074 56.400 -0.313 0.000 0.916 287 E CB 0.621 30.253 29.700 -0.113 0.000 0.947 287 E HN 0.373 nan 8.360 nan 0.000 0.440 288 P HA -0.080 nan 4.420 nan 0.000 0.269 288 P C 0.036 176.930 177.300 -0.677 0.000 1.211 288 P CA 0.362 62.853 63.100 -1.015 0.000 0.781 288 P CB 0.537 31.125 31.700 -1.852 0.000 0.877 289 T N -1.453 112.879 114.554 -0.370 0.000 3.332 289 T HA 0.126 4.574 4.350 0.163 0.000 0.304 289 T C 0.169 174.872 174.700 0.006 0.000 0.971 289 T CA -0.058 62.004 62.100 -0.062 0.000 0.954 289 T CB -0.371 68.451 68.868 -0.078 0.000 1.175 289 T HN 0.546 nan 8.240 nan 0.000 0.519 290 T N 0.695 115.226 114.554 -0.037 0.000 2.813 290 T HA 0.478 4.926 4.350 0.163 0.000 0.297 290 T C 0.209 175.004 174.700 0.158 0.000 1.036 290 T CA -0.269 61.855 62.100 0.040 0.000 1.044 290 T CB 0.976 69.855 68.868 0.018 0.000 0.993 290 T HN 0.068 nan 8.240 nan 0.000 0.535 291 T N 1.502 116.107 114.554 0.086 0.000 2.888 291 T HA 0.385 4.833 4.350 0.163 0.000 0.284 291 T C -0.402 174.309 174.700 0.018 0.000 1.017 291 T CA -0.746 61.383 62.100 0.048 0.000 1.022 291 T CB 1.654 70.535 68.868 0.023 0.000 1.013 291 T HN 0.751 nan 8.240 nan 0.000 0.465 292 Q N 2.446 122.227 119.800 -0.031 0.000 2.314 292 Q HA 0.346 4.784 4.340 0.163 0.000 0.257 292 Q C 0.285 176.264 176.000 -0.035 0.000 0.975 292 Q CA -0.603 55.161 55.803 -0.064 0.000 0.933 292 Q CB 0.520 29.182 28.738 -0.127 0.000 1.195 292 Q HN 0.839 nan 8.270 nan 0.000 0.426 293 T N 1.682 116.218 114.554 -0.031 0.000 2.816 293 T HA 0.564 5.013 4.350 0.163 0.000 0.282 293 T C -2.210 172.473 174.700 -0.028 0.000 0.993 293 T CA -1.402 60.684 62.100 -0.024 0.000 0.994 293 T CB 0.712 69.567 68.868 -0.022 0.000 1.025 293 T HN 0.450 nan 8.240 nan 0.000 0.529 294 P HA 0.369 nan 4.420 nan 0.000 0.281 294 P C -0.721 176.564 177.300 -0.024 0.000 1.249 294 P CA -0.681 62.407 63.100 -0.019 0.000 0.810 294 P CB 0.696 32.389 31.700 -0.012 0.000 1.008 295 S N 0.228 115.914 115.700 -0.024 0.000 2.430 295 S HA 0.189 4.757 4.470 0.163 0.000 0.282 295 S C 0.923 175.511 174.600 -0.020 0.000 1.186 295 S CA -0.074 58.109 58.200 -0.028 0.000 1.060 295 S CB -0.646 62.536 63.200 -0.031 0.000 0.966 295 S HN 0.531 nan 8.310 nan 0.000 0.501 296 T N 2.506 117.048 114.554 -0.021 0.000 2.990 296 T HA 0.316 4.764 4.350 0.163 0.000 0.250 296 T C 0.959 175.650 174.700 -0.015 0.000 1.041 296 T CA -0.226 61.865 62.100 -0.015 0.000 1.010 296 T CB 0.094 68.954 68.868 -0.014 0.000 1.003 296 T HN 0.364 nan 8.240 nan 0.000 0.499 297 R N 2.439 122.926 120.500 -0.021 0.000 2.795 297 R HA 0.383 4.821 4.340 0.163 0.000 0.320 297 R C -3.045 173.236 176.300 -0.031 0.000 1.223 297 R CA -3.055 53.032 56.100 -0.022 0.000 1.305 297 R CB 0.036 30.323 30.300 -0.021 0.000 1.318 297 R HN 0.273 nan 8.270 nan 0.000 0.636 298 P HA -0.027 nan 4.420 nan 0.000 0.269 298 P C 0.151 177.431 177.300 -0.034 0.000 1.215 298 P CA -0.433 62.646 63.100 -0.034 0.000 0.780 298 P CB 1.199 32.889 31.700 -0.016 0.000 0.898 299 L N 2.622 123.813 121.223 -0.055 0.000 2.559 299 L HA 0.050 4.488 4.340 0.163 0.000 0.274 299 L C -0.476 176.394 176.870 0.000 0.000 1.205 299 L CA 0.269 55.077 54.840 -0.053 0.000 0.907 299 L CB 0.225 42.208 42.059 -0.127 0.000 1.153 299 L HN 0.073 nan 8.230 nan 0.000 0.490 300 V N 5.878 125.800 119.914 0.013 0.000 2.417 300 V HA 0.142 4.360 4.120 0.163 0.000 0.291 300 V C 0.914 177.038 176.094 0.051 0.000 1.024 300 V CA -0.470 61.851 62.300 0.034 0.000 0.861 300 V CB 1.449 33.286 31.823 0.024 0.000 0.985 300 V HN 0.914 nan 8.190 nan 0.000 0.436 301 E N 2.734 122.978 120.200 0.073 0.000 2.204 301 E HA -0.172 4.276 4.350 0.163 0.000 0.195 301 E C 1.905 178.542 176.600 0.060 0.000 0.990 301 E CA 1.553 58.007 56.400 0.090 0.000 0.821 301 E CB 0.275 30.038 29.700 0.104 0.000 0.750 301 E HN 0.874 nan 8.360 nan 0.000 0.477 302 S N -0.532 115.187 115.700 0.033 0.000 2.496 302 S HA 0.120 4.688 4.470 0.163 0.000 0.224 302 S C 1.816 176.431 174.600 0.025 0.000 0.996 302 S CA 0.430 58.638 58.200 0.013 0.000 0.927 302 S CB 0.548 63.740 63.200 -0.014 0.000 0.774 302 S HN 0.293 nan 8.310 nan 0.000 0.524 303 A N 0.830 123.669 122.820 0.032 0.000 2.251 303 A HA 0.507 4.925 4.320 0.163 0.000 0.209 303 A C 0.676 178.288 177.584 0.048 0.000 1.187 303 A CA -0.246 51.812 52.037 0.034 0.000 0.823 303 A CB -0.297 18.719 19.000 0.026 0.000 0.846 303 A HN 0.530 nan 8.150 nan 0.000 0.486 304 L N -0.169 121.092 121.223 0.063 0.000 2.350 304 L HA 0.490 4.928 4.340 0.163 0.000 0.275 304 L C 0.414 177.338 176.870 0.091 0.000 1.099 304 L CA -0.245 54.645 54.840 0.084 0.000 0.808 304 L CB 1.612 43.739 42.059 0.113 0.000 1.149 304 L HN 0.131 nan 8.230 nan 0.000 0.442 305 T N 0.068 114.681 114.554 0.097 0.000 2.883 305 T HA 0.454 4.902 4.350 0.163 0.000 0.296 305 T C -0.298 174.470 174.700 0.114 0.000 1.117 305 T CA -0.456 61.710 62.100 0.110 0.000 1.006 305 T CB 1.639 70.562 68.868 0.093 0.000 1.191 305 T HN 0.752 nan 8.240 nan 0.000 0.508 306 T N 1.441 116.065 114.554 0.117 0.000 2.828 306 T HA 0.294 4.742 4.350 0.163 0.000 0.290 306 T C 1.436 176.174 174.700 0.064 0.000 1.019 306 T CA -0.591 61.557 62.100 0.081 0.000 1.031 306 T CB 0.566 69.448 68.868 0.024 0.000 1.001 306 T HN 0.419 nan 8.240 nan 0.000 0.531 307 L N 1.825 123.080 121.223 0.053 0.000 2.083 307 L HA 0.001 4.439 4.340 0.163 0.000 0.209 307 L C 2.600 179.484 176.870 0.024 0.000 1.083 307 L CA 2.548 57.419 54.840 0.051 0.000 0.752 307 L CB -1.289 40.779 42.059 0.016 0.000 0.899 307 L HN 1.041 nan 8.230 nan 0.000 0.433 308 T N -3.087 111.468 114.554 0.001 0.000 3.054 308 T HA 0.378 4.826 4.350 0.163 0.000 0.259 308 T C 1.213 175.920 174.700 0.012 0.000 1.092 308 T CA 0.440 62.537 62.100 -0.005 0.000 1.121 308 T CB -0.196 68.656 68.868 -0.028 0.000 0.912 308 T HN 0.718 nan 8.240 nan 0.000 0.489 309 A N 0.463 123.298 122.820 0.025 0.000 3.157 309 A HA -0.066 4.352 4.320 0.163 0.000 0.237 309 A C 0.439 178.062 177.584 0.065 0.000 1.330 309 A CA 0.245 52.314 52.037 0.054 0.000 0.992 309 A CB -2.724 16.307 19.000 0.052 0.000 1.131 309 A HN 0.702 nan 8.150 nan 0.000 0.781 310 V N 0.714 120.649 119.914 0.035 0.000 2.726 310 V HA 0.106 4.324 4.120 0.163 0.000 0.304 310 V C -0.377 175.827 176.094 0.184 0.000 1.115 310 V CA 0.383 62.712 62.300 0.048 0.000 1.264 310 V CB -0.405 31.345 31.823 -0.122 0.000 0.867 310 V HN 0.587 nan 8.190 nan 0.000 0.498 311 P HA 0.471 nan 4.420 nan 0.000 0.333 311 P C -0.295 177.216 177.300 0.352 0.000 1.343 311 P CA -0.045 63.197 63.100 0.236 0.000 0.761 311 P CB 0.620 32.417 31.700 0.161 0.000 1.701 312 V N -3.043 117.058 119.914 0.311 0.000 2.759 312 V HA 0.151 4.369 4.120 0.163 0.000 0.236 312 V C -3.114 173.087 176.094 0.178 0.000 1.897 312 V CA -1.130 61.327 62.300 0.262 0.000 0.769 312 V CB 0.437 32.384 31.823 0.206 0.000 1.275 312 V HN 0.411 nan 8.190 nan 0.000 0.533 313 P HA 0.421 nan 4.420 nan 0.000 0.272 313 P C 0.557 177.877 177.300 0.035 0.000 1.230 313 P CA 0.898 64.039 63.100 0.069 0.000 0.788 313 P CB 1.628 33.347 31.700 0.032 0.000 0.949 314 G N 1.310 110.103 108.800 -0.011 0.000 2.850 314 G HA2 0.059 4.117 3.960 0.163 0.000 0.207 314 G HA3 0.059 4.117 3.960 0.163 0.000 0.207 314 G C 0.166 175.043 174.900 -0.038 0.000 1.174 314 G CA 0.123 45.216 45.100 -0.011 0.000 0.844 314 G HN 0.323 nan 8.290 nan 0.000 0.635 315 K N 1.258 121.601 120.400 -0.095 0.000 2.182 315 K HA 0.385 4.803 4.320 0.163 0.000 0.262 315 K C -2.531 173.880 176.600 -0.314 0.000 0.957 315 K CA -2.214 53.985 56.287 -0.147 0.000 0.842 315 K CB 2.101 34.525 32.500 -0.127 0.000 1.099 315 K HN -0.063 nan 8.250 nan 0.000 0.438 316 P HA 0.053 nan 4.420 nan 0.000 0.238 316 P C -0.565 176.173 177.300 -0.938 0.000 1.714 316 P CA 0.341 63.048 63.100 -0.655 0.000 0.908 316 P CB 0.184 31.785 31.700 -0.165 0.000 1.893 317 T N -0.263 113.725 114.554 -0.943 0.000 2.853 317 T HA 0.468 4.916 4.350 0.163 0.000 0.311 317 T C -2.999 171.466 174.700 -0.390 0.000 1.307 317 T CA -2.494 59.262 62.100 -0.573 0.000 1.019 317 T CB 0.945 69.648 68.868 -0.274 0.000 1.264 317 T HN -0.276 nan 8.240 nan 0.000 0.497 318 P HA 0.225 nan 4.420 nan 0.000 0.264 318 P C 0.965 178.198 177.300 -0.112 0.000 1.179 318 P CA 1.404 64.433 63.100 -0.118 0.000 0.763 318 P CB 0.146 31.754 31.700 -0.152 0.000 0.806 319 G N 2.285 111.040 108.800 -0.075 0.000 2.196 319 G HA2 -0.259 3.799 3.960 0.163 0.000 0.268 319 G HA3 -0.259 3.799 3.960 0.163 0.000 0.268 319 G C 0.792 175.639 174.900 -0.090 0.000 0.975 319 G CA 0.155 45.210 45.100 -0.074 0.000 0.648 319 G HN 0.908 nan 8.290 nan 0.000 0.538 320 G N -0.348 108.378 108.800 -0.123 0.000 2.924 320 G HA2 0.568 4.626 3.960 0.163 0.000 0.273 320 G HA3 0.568 4.626 3.960 0.163 0.000 0.273 320 G C -0.357 174.477 174.900 -0.110 0.000 0.734 320 G CA 0.686 45.707 45.100 -0.130 0.000 2.065 320 G HN 1.275 nan 8.290 nan 0.000 0.580 321 V N 0.630 120.491 119.914 -0.088 0.000 3.278 321 V HA 0.172 4.390 4.120 0.163 0.000 0.288 321 V C -0.212 175.836 176.094 -0.077 0.000 1.514 321 V CA -0.618 61.630 62.300 -0.087 0.000 1.051 321 V CB 2.091 33.855 31.823 -0.099 0.000 1.163 321 V HN 0.417 nan 8.190 nan 0.000 0.458 322 D N 0.984 121.337 120.400 -0.079 0.000 2.103 322 D HA 0.066 4.804 4.640 0.163 0.000 0.199 322 D C 0.185 176.450 176.300 -0.058 0.000 0.978 322 D CA 1.509 55.473 54.000 -0.059 0.000 0.829 322 D CB 0.351 41.120 40.800 -0.051 0.000 0.981 322 D HN 0.186 nan 8.370 nan 0.000 0.464 323 L N -0.001 121.173 121.223 -0.081 0.000 2.406 323 L HA 0.572 5.010 4.340 0.163 0.000 0.272 323 L C -1.491 175.320 176.870 -0.097 0.000 0.980 323 L CA -0.839 53.960 54.840 -0.068 0.000 0.831 323 L CB 1.819 43.849 42.059 -0.048 0.000 1.253 323 L HN -0.126 nan 8.230 nan 0.000 0.406 324 A N 6.242 129.019 122.820 -0.072 0.000 2.288 324 A HA 0.816 5.234 4.320 0.163 0.000 0.320 324 A C -1.204 176.344 177.584 -0.061 0.000 1.217 324 A CA -0.463 51.528 52.037 -0.077 0.000 0.840 324 A CB 0.524 19.486 19.000 -0.063 0.000 1.179 324 A HN 0.708 nan 8.150 nan 0.000 0.504 325 L N 2.748 123.921 121.223 -0.083 0.000 2.346 325 L HA 0.479 4.917 4.340 0.163 0.000 0.276 325 L C 0.214 177.014 176.870 -0.117 0.000 1.006 325 L CA -0.614 54.171 54.840 -0.090 0.000 0.817 325 L CB 1.872 43.845 42.059 -0.143 0.000 1.272 325 L HN 0.810 nan 8.230 nan 0.000 0.421 326 N N 3.245 121.882 118.700 -0.106 0.000 2.405 326 N HA 0.471 5.309 4.740 0.163 0.000 0.299 326 N C -1.335 174.073 175.510 -0.170 0.000 1.075 326 N CA -0.664 52.303 53.050 -0.139 0.000 0.884 326 N CB 1.327 39.752 38.487 -0.104 0.000 1.194 326 N HN 0.449 nan 8.380 nan 0.000 0.491 327 M N 2.786 122.228 119.600 -0.263 0.000 2.023 327 M HA 0.314 4.892 4.480 0.163 0.000 0.325 327 M C -0.580 175.442 176.300 -0.463 0.000 0.963 327 M CA -0.711 54.423 55.300 -0.276 0.000 0.928 327 M CB 0.694 33.128 32.600 -0.276 0.000 1.429 327 M HN 0.451 nan 8.290 nan 0.000 0.404 328 A N 4.806 127.498 122.820 -0.214 0.000 2.276 328 A HA 0.782 5.200 4.320 0.163 0.000 0.300 328 A C -0.700 176.927 177.584 0.071 0.000 1.235 328 A CA -0.351 51.573 52.037 -0.188 0.000 0.867 328 A CB 0.200 19.170 19.000 -0.050 0.000 1.137 328 A HN 0.747 nan 8.150 nan 0.000 0.527 329 F N 1.691 121.744 119.950 0.172 0.000 2.399 329 F HA 0.659 5.284 4.527 0.164 0.000 0.328 329 F C 1.152 177.075 175.800 0.204 0.000 1.084 329 F CA -0.186 58.001 58.000 0.312 0.000 1.053 329 F CB 2.159 41.451 39.000 0.486 0.000 1.209 329 F HN 0.732 nan 8.300 nan 0.000 0.502 330 G N 0.889 109.920 108.800 0.385 0.000 2.721 330 G HA2 0.362 4.420 3.960 0.163 0.000 0.296 330 G HA3 0.362 4.420 3.960 0.163 0.000 0.296 330 G C -2.201 172.693 174.900 -0.009 0.000 1.383 330 G CA -0.768 44.429 45.100 0.161 0.000 0.788 330 G HN 0.596 nan 8.290 nan 0.000 0.500 331 N N -0.579 118.059 118.700 -0.104 0.000 2.648 331 N HA 0.463 5.301 4.740 0.163 0.000 0.272 331 N C -1.092 174.320 175.510 -0.164 0.000 1.118 331 N CA -0.267 52.612 53.050 -0.286 0.000 0.973 331 N CB 1.781 39.962 38.487 -0.510 0.000 1.565 331 N HN 0.985 nan 8.380 nan 0.000 0.542 332 G N 0.901 109.625 108.800 -0.126 0.000 2.782 332 G HA2 0.535 4.593 3.960 0.163 0.000 0.280 332 G HA3 0.535 4.593 3.960 0.163 0.000 0.280 332 G C 0.789 175.642 174.900 -0.079 0.000 1.526 332 G CA 0.198 45.248 45.100 -0.084 0.000 1.083 332 G HN 0.861 nan 8.290 nan 0.000 0.552 333 G N 2.586 111.331 108.800 -0.092 0.000 3.718 333 G HA2 -0.344 3.714 3.960 0.163 0.000 0.224 333 G HA3 -0.344 3.714 3.960 0.163 0.000 0.224 333 G C 0.510 175.356 174.900 -0.090 0.000 1.328 333 G CA 0.818 45.876 45.100 -0.071 0.000 0.974 333 G HN 0.830 nan 8.290 nan 0.000 0.579 334 N N -0.289 118.364 118.700 -0.079 0.000 2.545 334 N HA 0.634 5.472 4.740 0.163 0.000 0.289 334 N C -0.686 174.742 175.510 -0.136 0.000 1.279 334 N CA -0.656 52.364 53.050 -0.050 0.000 0.824 334 N CB 0.918 39.453 38.487 0.079 0.000 1.395 334 N HN 0.138 nan 8.380 nan 0.000 0.526 335 F N 0.470 120.365 119.950 -0.092 0.000 2.450 335 F HA 0.189 4.814 4.527 0.163 0.000 0.339 335 F C 1.380 177.198 175.800 0.031 0.000 1.146 335 F CA 0.509 58.388 58.000 -0.203 0.000 1.267 335 F CB 0.742 39.425 39.000 -0.527 0.000 1.178 335 F HN 0.053 nan 8.300 nan 0.000 0.585 336 T N 3.698 118.428 114.554 0.293 0.000 2.886 336 T HA 0.636 5.084 4.350 0.163 0.000 0.292 336 T C -0.814 174.183 174.700 0.496 0.000 1.012 336 T CA -0.547 61.744 62.100 0.319 0.000 0.982 336 T CB 0.810 69.794 68.868 0.193 0.000 1.018 336 T HN 0.318 nan 8.240 nan 0.000 0.451 337 I N 4.162 125.010 120.570 0.464 0.000 2.439 337 I HA 0.315 4.583 4.170 0.163 0.000 0.283 337 I C -0.303 176.022 176.117 0.347 0.000 1.023 337 I CA -0.894 60.702 61.300 0.493 0.000 1.100 337 I CB 1.530 39.820 38.000 0.483 0.000 1.238 337 I HN 0.619 nan 8.210 nan 0.000 0.445 338 N N 5.112 123.973 118.700 0.268 0.000 2.714 338 N HA -0.204 4.634 4.740 0.163 0.000 0.252 338 N C 0.976 176.595 175.510 0.181 0.000 1.014 338 N CA 1.381 54.551 53.050 0.200 0.000 0.735 338 N CB -0.980 37.646 38.487 0.232 0.000 0.924 338 N HN 1.173 nan 8.380 nan 0.000 0.540 339 G N -2.485 106.419 108.800 0.173 0.000 2.184 339 G HA2 -0.106 3.953 3.960 0.163 0.000 0.264 339 G HA3 -0.106 3.953 3.960 0.163 0.000 0.264 339 G C 0.146 175.129 174.900 0.138 0.000 0.975 339 G CA 0.832 46.012 45.100 0.134 0.000 0.642 339 G HN 1.356 nan 8.290 nan 0.000 0.536 340 A N -0.521 122.409 122.820 0.183 0.000 2.355 340 A HA 0.852 5.270 4.320 0.163 0.000 0.317 340 A C -0.034 177.693 177.584 0.237 0.000 1.094 340 A CA 0.601 52.744 52.037 0.177 0.000 0.764 340 A CB 1.795 20.891 19.000 0.160 0.000 1.230 340 A HN 1.152 nan 8.150 nan 0.000 0.448 341 S N 1.239 117.061 115.700 0.203 0.000 2.462 341 S HA 0.574 5.142 4.470 0.163 0.000 0.294 341 S C -0.616 174.142 174.600 0.263 0.000 1.144 341 S CA -0.386 57.964 58.200 0.251 0.000 1.088 341 S CB 0.123 63.433 63.200 0.183 0.000 1.009 341 S HN 0.598 nan 8.310 nan 0.000 0.484 342 F N 4.130 124.210 119.950 0.216 0.000 2.495 342 F HA 0.376 5.000 4.527 0.162 0.000 0.365 342 F C 0.569 176.472 175.800 0.172 0.000 1.090 342 F CA 0.566 58.692 58.000 0.210 0.000 1.235 342 F CB 0.770 39.937 39.000 0.278 0.000 1.119 342 F HN 0.374 nan 8.300 nan 0.000 0.562 343 T N 7.851 122.058 114.554 -0.577 0.000 2.879 343 T HA 0.364 4.812 4.350 0.163 0.000 0.290 343 T C -2.731 171.516 174.700 -0.756 0.000 0.993 343 T CA -1.736 60.124 62.100 -0.401 0.000 0.975 343 T CB 1.380 70.121 68.868 -0.211 0.000 0.981 343 T HN 0.279 nan 8.240 nan 0.000 0.439 344 P HA 0.214 nan 4.420 nan 0.000 0.266 344 P C -2.411 174.679 177.300 -0.349 0.000 1.215 344 P CA -1.017 61.934 63.100 -0.249 0.000 0.763 344 P CB -0.178 31.499 31.700 -0.039 0.000 0.806 345 P HA 0.111 nan 4.420 nan 0.000 0.276 345 P C 0.672 177.845 177.300 -0.213 0.000 1.252 345 P CA -0.119 62.863 63.100 -0.197 0.000 0.802 345 P CB 0.734 32.378 31.700 -0.094 0.000 1.035 346 T N -0.167 114.292 114.554 -0.158 0.000 2.777 346 T HA -0.003 4.445 4.350 0.163 0.000 0.266 346 T C 0.838 175.570 174.700 0.054 0.000 1.040 346 T CA 1.052 63.091 62.100 -0.101 0.000 1.141 346 T CB -0.208 68.621 68.868 -0.064 0.000 0.868 346 T HN 0.185 nan 8.240 nan 0.000 0.444 347 V N 4.025 123.966 119.914 0.043 0.000 2.364 347 V HA 0.267 4.486 4.120 0.163 0.000 0.272 347 V C -2.343 173.810 176.094 0.099 0.000 1.036 347 V CA -2.347 59.992 62.300 0.066 0.000 0.880 347 V CB 0.964 32.805 31.823 0.029 0.000 0.991 347 V HN 0.148 nan 8.190 nan 0.000 0.460 348 P HA 0.005 nan 4.420 nan 0.000 0.265 348 P C 1.170 178.508 177.300 0.064 0.000 1.187 348 P CA 0.238 63.397 63.100 0.098 0.000 0.766 348 P CB 0.643 32.344 31.700 0.003 0.000 0.820 349 V N 4.033 123.964 119.914 0.027 0.000 2.324 349 V HA -0.255 3.963 4.120 0.163 0.000 0.250 349 V C 2.262 178.351 176.094 -0.009 0.000 1.060 349 V CA 1.706 64.005 62.300 -0.002 0.000 1.042 349 V CB -1.091 30.708 31.823 -0.039 0.000 0.650 349 V HN 0.625 nan 8.190 nan 0.000 0.450 350 L N -0.770 120.447 121.223 -0.010 0.000 2.079 350 L HA -0.209 4.229 4.340 0.163 0.000 0.210 350 L C 2.404 179.327 176.870 0.088 0.000 1.081 350 L CA 1.830 56.670 54.840 0.000 0.000 0.752 350 L CB -0.220 41.857 42.059 0.029 0.000 0.896 350 L HN 0.378 nan 8.230 nan 0.000 0.433 351 L N -0.179 121.146 121.223 0.170 0.000 2.109 351 L HA -0.209 4.229 4.340 0.163 0.000 0.207 351 L C 2.511 179.436 176.870 0.093 0.000 1.086 351 L CA 1.587 56.545 54.840 0.197 0.000 0.760 351 L CB -0.586 41.569 42.059 0.160 0.000 0.910 351 L HN 0.288 nan 8.230 nan 0.000 0.437 352 Q N -0.482 119.352 119.800 0.056 0.000 2.077 352 Q HA -0.248 4.191 4.340 0.163 0.000 0.206 352 Q C 2.234 178.247 176.000 0.022 0.000 0.989 352 Q CA 2.331 58.152 55.803 0.030 0.000 0.853 352 Q CB -0.341 28.408 28.738 0.019 0.000 0.907 352 Q HN 0.556 nan 8.270 nan 0.000 0.418 353 I N 0.617 121.196 120.570 0.014 0.000 2.113 353 I HA -0.297 3.971 4.170 0.163 0.000 0.238 353 I C 2.232 178.352 176.117 0.005 0.000 1.070 353 I CA 1.137 62.437 61.300 0.001 0.000 1.332 353 I CB -0.373 37.614 38.000 -0.022 0.000 1.044 353 I HN 0.185 nan 8.210 nan 0.000 0.402 354 L N 0.029 121.260 121.223 0.013 0.000 2.129 354 L HA -0.213 4.225 4.340 0.163 0.000 0.212 354 L C 2.414 179.299 176.870 0.026 0.000 1.087 354 L CA 1.141 55.990 54.840 0.016 0.000 0.757 354 L CB -0.676 41.406 42.059 0.037 0.000 0.896 354 L HN 0.205 nan 8.230 nan 0.000 0.434 355 S N -0.686 115.034 115.700 0.033 0.000 2.522 355 S HA 0.121 4.689 4.470 0.163 0.000 0.227 355 S C 1.429 176.038 174.600 0.015 0.000 0.986 355 S CA 0.844 59.060 58.200 0.026 0.000 0.929 355 S CB 0.412 63.629 63.200 0.028 0.000 0.769 355 S HN 0.694 nan 8.310 nan 0.000 0.529 356 G N 0.664 109.471 108.800 0.012 0.000 2.183 356 G HA2 -0.029 4.029 3.960 0.163 0.000 0.168 356 G HA3 -0.029 4.029 3.960 0.163 0.000 0.168 356 G C 0.066 174.969 174.900 0.006 0.000 1.008 356 G CA -0.363 44.742 45.100 0.008 0.000 0.677 356 G HN 0.703 nan 8.290 nan 0.000 0.498 357 A N 0.071 122.895 122.820 0.007 0.000 2.491 357 A HA 0.613 5.031 4.320 0.163 0.000 0.261 357 A C 1.100 178.687 177.584 0.005 0.000 1.101 357 A CA 1.227 53.267 52.037 0.005 0.000 0.772 357 A CB 0.348 19.351 19.000 0.005 0.000 1.043 357 A HN 0.496 nan 8.150 nan 0.000 0.501 358 Q N 1.008 120.811 119.800 0.005 0.000 2.349 358 Q HA 0.098 4.536 4.340 0.163 0.000 0.209 358 Q C 0.642 176.648 176.000 0.010 0.000 0.920 358 Q CA 0.999 56.806 55.803 0.008 0.000 0.901 358 Q CB 0.317 29.059 28.738 0.007 0.000 1.021 358 Q HN 0.949 nan 8.270 nan 0.000 0.519 359 S N -2.267 113.438 115.700 0.007 0.000 2.651 359 S HA 0.654 5.222 4.470 0.163 0.000 0.279 359 S C 0.517 175.118 174.600 0.002 0.000 1.148 359 S CA -0.407 57.798 58.200 0.008 0.000 0.837 359 S CB 1.198 64.401 63.200 0.005 0.000 1.138 359 S HN 0.059 nan 8.310 nan 0.000 0.478 360 A N 0.690 123.509 122.820 -0.002 0.000 1.948 360 A HA -0.127 4.291 4.320 0.163 0.000 0.220 360 A C 2.113 179.677 177.584 -0.035 0.000 1.177 360 A CA 1.797 53.820 52.037 -0.023 0.000 0.636 360 A CB -1.176 17.793 19.000 -0.051 0.000 0.815 360 A HN 0.839 nan 8.150 nan 0.000 0.449 361 Q N -0.697 119.086 119.800 -0.028 0.000 2.170 361 Q HA -0.179 4.259 4.340 0.163 0.000 0.203 361 Q C 1.118 177.107 176.000 -0.017 0.000 0.976 361 Q CA 1.420 57.208 55.803 -0.024 0.000 0.858 361 Q CB -0.228 28.500 28.738 -0.017 0.000 0.907 361 Q HN 0.615 nan 8.270 nan 0.000 0.433 362 D N 0.156 120.550 120.400 -0.011 0.000 2.277 362 D HA 0.022 4.760 4.640 0.163 0.000 0.208 362 D C 0.334 176.629 176.300 -0.007 0.000 0.962 362 D CA 0.567 54.563 54.000 -0.007 0.000 0.865 362 D CB 0.215 41.014 40.800 -0.003 0.000 0.939 362 D HN 0.149 nan 8.370 nan 0.000 0.510 363 L N 1.235 122.454 121.223 -0.007 0.000 2.312 363 L HA 0.298 4.736 4.340 0.163 0.000 0.281 363 L C 0.136 177.004 176.870 -0.004 0.000 1.070 363 L CA -0.472 54.367 54.840 -0.001 0.000 0.805 363 L CB 1.718 43.781 42.059 0.008 0.000 1.174 363 L HN -0.264 nan 8.230 nan 0.000 0.434 364 L N 4.660 125.879 121.223 -0.007 0.000 2.325 364 L HA 0.505 4.943 4.340 0.163 0.000 0.279 364 L C -2.119 174.737 176.870 -0.024 0.000 1.054 364 L CA -1.908 52.916 54.840 -0.027 0.000 0.804 364 L CB 1.615 43.649 42.059 -0.042 0.000 1.200 364 L HN 0.355 nan 8.230 nan 0.000 0.436 365 P HA 0.123 nan 4.420 nan 0.000 0.280 365 P C -0.565 176.719 177.300 -0.027 0.000 1.244 365 P CA -0.330 62.709 63.100 -0.102 0.000 0.784 365 P CB 1.391 32.946 31.700 -0.242 0.000 0.913 366 S N 1.321 117.004 115.700 -0.028 0.000 2.564 366 S HA 0.440 5.008 4.470 0.163 0.000 0.278 366 S C 1.500 176.098 174.600 -0.004 0.000 1.333 366 S CA 1.055 59.244 58.200 -0.018 0.000 1.048 366 S CB -0.084 63.102 63.200 -0.023 0.000 0.900 366 S HN 0.869 nan 8.310 nan 0.000 0.505 367 G N 2.102 110.886 108.800 -0.025 0.000 2.241 367 G HA2 -0.252 3.806 3.960 0.163 0.000 0.244 367 G HA3 -0.252 3.806 3.960 0.163 0.000 0.244 367 G C 0.819 175.735 174.900 0.027 0.000 0.998 367 G CA 0.477 45.569 45.100 -0.013 0.000 0.621 367 G HN 0.648 nan 8.290 nan 0.000 0.519 368 S N -0.569 115.183 115.700 0.087 0.000 2.540 368 S HA 0.484 5.053 4.470 0.163 0.000 0.218 368 S C 0.465 175.214 174.600 0.249 0.000 0.977 368 S CA 0.558 58.915 58.200 0.261 0.000 0.918 368 S CB 1.029 64.479 63.200 0.416 0.000 0.806 368 S HN 0.532 nan 8.310 nan 0.000 0.496 369 V N 2.210 122.134 119.914 0.017 0.000 2.495 369 V HA 0.471 4.689 4.120 0.163 0.000 0.298 369 V C -1.350 174.619 176.094 -0.210 0.000 1.031 369 V CA -0.731 61.589 62.300 0.033 0.000 0.871 369 V CB 1.002 32.855 31.823 0.051 0.000 0.988 369 V HN 0.273 nan 8.190 nan 0.000 0.432 370 Y N 1.875 122.243 120.300 0.114 0.000 2.341 370 Y HA 0.482 5.130 4.550 0.163 0.000 0.338 370 Y C 0.643 176.601 175.900 0.097 0.000 0.965 370 Y CA -0.349 57.811 58.100 0.101 0.000 1.108 370 Y CB 2.122 40.648 38.460 0.110 0.000 1.180 370 Y HN 0.590 nan 8.280 nan 0.000 0.458 371 S N 4.431 120.232 115.700 0.169 0.000 2.548 371 S HA 0.611 5.179 4.470 0.163 0.000 0.277 371 S C -0.743 173.951 174.600 0.158 0.000 1.315 371 S CA -0.417 57.864 58.200 0.135 0.000 1.050 371 S CB -0.028 63.219 63.200 0.080 0.000 0.918 371 S HN 0.580 nan 8.310 nan 0.000 0.497 372 L N 6.090 127.406 121.223 0.154 0.000 2.362 372 L HA 0.543 4.981 4.340 0.163 0.000 0.271 372 L C -2.239 174.697 176.870 0.110 0.000 1.002 372 L CA -2.414 52.510 54.840 0.140 0.000 0.818 372 L CB 2.098 44.273 42.059 0.193 0.000 1.298 372 L HN 0.486 nan 8.230 nan 0.000 0.420 373 P HA 0.198 nan 4.420 nan 0.000 0.274 373 P C -0.825 176.521 177.300 0.077 0.000 1.246 373 P CA -0.497 62.641 63.100 0.063 0.000 0.795 373 P CB 0.695 32.416 31.700 0.035 0.000 1.006 374 A N 1.758 124.622 122.820 0.073 0.000 2.401 374 A HA 0.252 4.670 4.320 0.163 0.000 0.259 374 A C 0.256 177.881 177.584 0.068 0.000 1.103 374 A CA -0.332 51.754 52.037 0.083 0.000 0.789 374 A CB -0.865 18.178 19.000 0.072 0.000 1.035 374 A HN 0.710 nan 8.150 nan 0.000 0.491 375 N N -0.788 117.962 118.700 0.083 0.000 2.641 375 N HA -0.145 4.693 4.740 0.163 0.000 0.267 375 N C -0.234 175.300 175.510 0.040 0.000 1.087 375 N CA 1.237 54.327 53.050 0.066 0.000 0.731 375 N CB -1.387 37.134 38.487 0.057 0.000 0.886 375 N HN 1.344 nan 8.380 nan 0.000 0.547 376 A N 0.077 122.914 122.820 0.029 0.000 2.564 376 A HA 0.690 5.109 4.320 0.163 0.000 0.288 376 A C -1.194 176.356 177.584 -0.057 0.000 1.164 376 A CA -0.734 51.296 52.037 -0.012 0.000 0.712 376 A CB 1.523 20.514 19.000 -0.016 0.000 1.303 376 A HN 0.081 nan 8.150 nan 0.000 0.418 377 D N 1.396 121.741 120.400 -0.091 0.000 2.280 377 D HA 0.538 5.277 4.640 0.163 0.000 0.236 377 D C -0.525 175.627 176.300 -0.247 0.000 1.082 377 D CA 0.189 54.102 54.000 -0.146 0.000 0.834 377 D CB 1.141 41.883 40.800 -0.095 0.000 1.100 377 D HN 0.339 nan 8.370 nan 0.000 0.486 378 I N 0.974 121.266 120.570 -0.464 0.000 2.530 378 I HA 0.378 4.646 4.170 0.163 0.000 0.297 378 I C 0.250 176.063 176.117 -0.506 0.000 1.011 378 I CA -0.762 60.175 61.300 -0.606 0.000 1.107 378 I CB 1.940 39.245 38.000 -1.159 0.000 1.285 378 I HN 0.274 nan 8.210 nan 0.000 0.436 379 E N 5.826 125.844 120.200 -0.303 0.000 2.199 379 E HA 0.661 5.109 4.350 0.163 0.000 0.265 379 E C -1.513 175.001 176.600 -0.144 0.000 0.882 379 E CA -0.496 55.799 56.400 -0.175 0.000 0.759 379 E CB 1.983 31.635 29.700 -0.080 0.000 1.148 379 E HN 0.508 nan 8.360 nan 0.000 0.412 380 I N 2.010 122.516 120.570 -0.106 0.000 2.646 380 I HA 0.403 4.671 4.170 0.163 0.000 0.299 380 I C -0.258 175.777 176.117 -0.136 0.000 1.036 380 I CA -1.012 60.219 61.300 -0.115 0.000 1.074 380 I CB 2.197 40.138 38.000 -0.098 0.000 1.258 380 I HN 0.325 nan 8.210 nan 0.000 0.430 381 S N 4.817 120.419 115.700 -0.163 0.000 2.557 381 S HA 0.755 5.323 4.470 0.163 0.000 0.291 381 S C -0.788 173.656 174.600 -0.260 0.000 1.116 381 S CA -0.457 57.646 58.200 -0.161 0.000 0.992 381 S CB 0.936 64.068 63.200 -0.113 0.000 1.028 381 S HN 0.508 nan 8.310 nan 0.000 0.484 382 L N 5.481 126.534 121.223 -0.283 0.000 2.574 382 L HA 0.363 4.801 4.340 0.163 0.000 0.258 382 L C -2.482 174.172 176.870 -0.361 0.000 1.520 382 L CA -1.274 53.314 54.840 -0.420 0.000 0.775 382 L CB 1.488 43.334 42.059 -0.355 0.000 1.028 382 L HN 0.397 nan 8.230 nan 0.000 0.516 383 P HA 0.238 nan 4.420 nan 0.000 0.271 383 P C 0.741 177.953 177.300 -0.147 0.000 1.216 383 P CA 0.817 63.782 63.100 -0.225 0.000 0.771 383 P CB 1.720 33.304 31.700 -0.193 0.000 0.864 384 A N 3.502 126.337 122.820 0.024 0.000 5.382 384 A HA -0.226 4.192 4.320 0.163 0.000 0.307 384 A C 1.707 179.376 177.584 0.141 0.000 1.937 384 A CA 2.895 54.949 52.037 0.029 0.000 0.715 384 A CB -2.397 16.576 19.000 -0.047 0.000 1.293 384 A HN 0.908 nan 8.150 nan 0.000 0.374 385 A N -2.194 120.668 122.820 0.070 0.000 2.818 385 A HA -0.220 4.198 4.320 0.163 0.000 0.286 385 A C 2.067 179.799 177.584 0.247 0.000 2.020 385 A CA 4.008 56.118 52.037 0.122 0.000 1.039 385 A CB -1.765 17.317 19.000 0.135 0.000 0.577 385 A HN 2.759 nan 8.150 nan 0.000 0.390 386 S N -1.556 114.394 115.700 0.417 0.000 2.686 386 S HA 0.560 5.128 4.470 0.163 0.000 0.270 386 S C 0.494 175.421 174.600 0.544 0.000 1.194 386 S CA 0.009 58.438 58.200 0.382 0.000 0.990 386 S CB 0.761 64.091 63.200 0.216 0.000 1.029 386 S HN 1.885 nan 8.310 nan 0.000 0.560 387 A N 0.763 123.759 122.820 0.293 0.000 2.584 387 A HA 0.445 4.863 4.320 0.163 0.000 0.239 387 A C 1.060 178.863 177.584 0.364 0.000 1.043 387 A CA 0.649 52.833 52.037 0.245 0.000 0.756 387 A CB -1.350 17.633 19.000 -0.028 0.000 0.963 387 A HN 2.174 nan 8.150 nan 0.000 0.511 388 A N 1.245 124.126 122.820 0.101 0.000 3.232 388 A HA -0.048 4.370 4.320 0.163 0.000 0.238 388 A C 0.224 177.636 177.584 -0.287 0.000 1.344 388 A CA 0.701 52.728 52.037 -0.016 0.000 0.875 388 A CB -2.844 16.353 19.000 0.329 0.000 1.070 388 A HN 2.135 nan 8.150 nan 0.000 0.653 389 F N -0.338 119.448 119.950 -0.274 0.000 2.490 389 F HA 0.647 5.272 4.527 0.163 0.000 0.336 389 F C -1.115 174.618 175.800 -0.111 0.000 1.178 389 F CA -2.022 55.743 58.000 -0.391 0.000 1.301 389 F CB -0.487 38.466 39.000 -0.078 0.000 1.175 389 F HN 0.206 nan 8.300 nan 0.000 0.593 390 P HA 0.141 nan 4.420 nan 0.000 0.281 390 P C -1.208 176.147 177.300 0.092 0.000 1.252 390 P CA -0.138 63.096 63.100 0.222 0.000 0.778 390 P CB 0.636 32.517 31.700 0.301 0.000 0.895 391 H N 4.443 123.715 119.070 0.337 0.000 2.705 391 H HA 0.228 4.883 4.556 0.163 0.000 0.291 391 H C -1.983 173.460 175.328 0.191 0.000 1.085 391 H CA -1.956 54.252 56.048 0.266 0.000 1.357 391 H CB 0.599 30.565 29.762 0.340 0.000 1.419 391 H HN 0.336 nan 8.280 nan 0.000 0.462 392 P HA 0.123 nan 4.420 nan 0.000 0.282 392 P C -0.592 176.699 177.300 -0.014 0.000 1.262 392 P CA -0.067 63.079 63.100 0.076 0.000 0.773 392 P CB 0.428 32.177 31.700 0.081 0.000 0.879 393 F N 2.140 122.095 119.950 0.008 0.000 2.480 393 F HA 0.409 5.034 4.527 0.164 0.000 0.329 393 F C 0.927 176.840 175.800 0.188 0.000 1.091 393 F CA -0.210 57.790 58.000 -0.001 0.000 0.972 393 F CB 1.534 40.482 39.000 -0.087 0.000 1.150 393 F HN 0.384 nan 8.300 nan 0.000 0.467 394 H N 3.969 123.167 119.070 0.214 0.000 2.679 394 H HA 0.571 5.225 4.556 0.163 0.000 0.360 394 H C -1.960 173.603 175.328 0.392 0.000 1.105 394 H CA -1.079 55.171 56.048 0.336 0.000 1.196 394 H CB 2.163 32.147 29.762 0.371 0.000 1.636 394 H HN 0.629 nan 8.280 nan 0.000 0.531 395 L N 5.926 127.206 121.223 0.095 0.000 2.325 395 L HA 0.310 4.748 4.340 0.163 0.000 0.281 395 L C -0.875 175.866 176.870 -0.214 0.000 1.004 395 L CA -0.403 54.439 54.840 0.004 0.000 0.823 395 L CB 1.109 43.207 42.059 0.065 0.000 1.236 395 L HN 0.709 nan 8.230 nan 0.000 0.415 396 H N 3.654 122.552 119.070 -0.286 0.000 2.551 396 H HA 0.301 4.955 4.556 0.163 0.000 0.358 396 H C 0.858 175.961 175.328 -0.374 0.000 1.151 396 H CA 0.383 56.317 56.048 -0.190 0.000 1.374 396 H CB 1.239 31.053 29.762 0.087 0.000 1.473 396 H HN 0.972 nan 8.280 nan 0.000 0.574 397 G N 1.966 110.501 108.800 -0.443 0.000 2.203 397 G HA2 -0.238 3.820 3.960 0.163 0.000 0.263 397 G HA3 -0.238 3.820 3.960 0.163 0.000 0.263 397 G C -0.121 174.110 174.900 -1.116 0.000 1.012 397 G CA 0.445 44.825 45.100 -1.201 0.000 0.749 397 G HN 0.792 nan 8.290 nan 0.000 0.512 398 H N -1.663 117.271 119.070 -0.225 0.000 3.064 398 H HA 0.554 5.208 4.556 0.164 0.000 0.352 398 H C -0.572 174.825 175.328 0.116 0.000 1.260 398 H CA 0.167 56.094 56.048 -0.201 0.000 1.160 398 H CB 1.663 31.209 29.762 -0.360 0.000 1.879 398 H HN 0.217 nan 8.280 nan 0.000 0.544 399 T N 1.844 116.566 114.554 0.281 0.000 2.925 399 T HA 0.615 5.063 4.350 0.163 0.000 0.285 399 T C -0.951 173.870 174.700 0.202 0.000 1.021 399 T CA -0.591 61.633 62.100 0.207 0.000 1.042 399 T CB 0.192 69.282 68.868 0.370 0.000 1.037 399 T HN 0.368 nan 8.240 nan 0.000 0.481 400 F N 1.203 121.252 119.950 0.165 0.000 2.599 400 F HA 0.849 5.474 4.527 0.163 0.000 0.311 400 F C -0.353 175.250 175.800 -0.329 0.000 1.076 400 F CA -1.909 56.099 58.000 0.012 0.000 0.937 400 F CB 0.805 39.833 39.000 0.047 0.000 1.282 400 F HN 0.636 nan 8.300 nan 0.000 0.460 401 A N 1.641 124.230 122.820 -0.385 0.000 2.362 401 A HA 0.564 4.982 4.320 0.163 0.000 0.276 401 A C -0.450 177.083 177.584 -0.086 0.000 1.153 401 A CA -0.609 51.019 52.037 -0.682 0.000 0.813 401 A CB 0.165 18.785 19.000 -0.634 0.000 1.081 401 A HN 0.773 nan 8.150 nan 0.000 0.507 402 V N 5.252 125.154 119.914 -0.020 0.000 2.223 402 V HA -0.005 4.213 4.120 0.163 0.000 0.249 402 V C 1.530 177.593 176.094 -0.052 0.000 1.233 402 V CA 0.050 62.377 62.300 0.045 0.000 1.131 402 V CB -0.024 31.852 31.823 0.089 0.000 1.298 402 V HN 0.775 nan 8.190 nan 0.000 0.498 403 V N 3.651 123.520 119.914 -0.076 0.000 2.332 403 V HA -0.109 4.109 4.120 0.163 0.000 0.248 403 V C 1.326 177.261 176.094 -0.265 0.000 1.055 403 V CA 1.846 64.057 62.300 -0.149 0.000 1.038 403 V CB -0.242 31.540 31.823 -0.069 0.000 0.651 403 V HN 0.824 nan 8.190 nan 0.000 0.450 404 R N -0.684 119.644 120.500 -0.287 0.000 2.575 404 R HA 0.463 4.901 4.340 0.163 0.000 0.293 404 R C -0.843 175.320 176.300 -0.229 0.000 0.983 404 R CA -0.236 55.623 56.100 -0.401 0.000 0.887 404 R CB 2.004 31.829 30.300 -0.793 0.000 1.184 404 R HN 0.267 nan 8.270 nan 0.000 0.445 405 S N 1.398 116.993 115.700 -0.174 0.000 2.722 405 S HA 0.596 5.164 4.470 0.163 0.000 0.292 405 S C -0.471 174.076 174.600 -0.088 0.000 1.135 405 S CA -0.626 57.518 58.200 -0.094 0.000 1.003 405 S CB 1.675 64.849 63.200 -0.044 0.000 1.067 405 S HN 0.744 nan 8.310 nan 0.000 0.546 406 A N 0.319 123.109 122.820 -0.050 0.000 2.462 406 A HA 0.529 4.947 4.320 0.163 0.000 0.243 406 A C 1.313 178.893 177.584 -0.007 0.000 1.076 406 A CA 0.217 52.238 52.037 -0.027 0.000 0.773 406 A CB -1.027 17.970 19.000 -0.006 0.000 1.010 406 A HN 1.817 nan 8.150 nan 0.000 0.493 407 G N 0.373 109.170 108.800 -0.006 0.000 2.225 407 G HA2 -0.092 3.966 3.960 0.163 0.000 0.267 407 G HA3 -0.092 3.966 3.960 0.163 0.000 0.267 407 G C 0.267 175.158 174.900 -0.016 0.000 1.024 407 G CA 0.806 45.907 45.100 0.002 0.000 0.784 407 G HN 1.712 nan 8.290 nan 0.000 0.507 408 S N -1.342 114.330 115.700 -0.046 0.000 2.538 408 S HA 0.697 5.266 4.470 0.163 0.000 0.288 408 S C 0.902 175.447 174.600 -0.090 0.000 1.108 408 S CA 0.405 58.567 58.200 -0.064 0.000 0.971 408 S CB 1.671 64.820 63.200 -0.086 0.000 1.041 408 S HN 0.547 nan 8.310 nan 0.000 0.483 409 S N 2.175 117.839 115.700 -0.060 0.000 2.577 409 S HA 0.189 4.758 4.470 0.163 0.000 0.219 409 S C 0.421 175.002 174.600 -0.032 0.000 0.962 409 S CA -0.172 58.005 58.200 -0.037 0.000 0.921 409 S CB 0.321 63.527 63.200 0.011 0.000 0.789 409 S HN 0.662 nan 8.310 nan 0.000 0.497 410 T N 2.127 116.618 114.554 -0.106 0.000 2.837 410 T HA 0.492 4.940 4.350 0.163 0.000 0.285 410 T C -1.120 173.432 174.700 -0.248 0.000 0.984 410 T CA -0.173 61.884 62.100 -0.072 0.000 1.049 410 T CB 0.398 69.232 68.868 -0.056 0.000 0.947 410 T HN 0.136 nan 8.240 nan 0.000 0.472 411 Y N 3.041 123.245 120.300 -0.159 0.000 2.341 411 Y HA 0.485 5.133 4.550 0.163 0.000 0.337 411 Y C 0.630 176.284 175.900 -0.410 0.000 1.014 411 Y CA -1.031 56.855 58.100 -0.357 0.000 1.111 411 Y CB 1.109 39.305 38.460 -0.441 0.000 1.194 411 Y HN 0.466 nan 8.280 nan 0.000 0.462 412 N N 2.414 120.898 118.700 -0.360 0.000 2.617 412 N HA 0.167 5.005 4.740 0.163 0.000 0.263 412 N C -1.039 174.351 175.510 -0.200 0.000 1.074 412 N CA -0.503 52.418 53.050 -0.215 0.000 0.841 412 N CB 0.238 38.677 38.487 -0.081 0.000 1.221 412 N HN 0.481 nan 8.380 nan 0.000 0.529 413 Y N 1.213 121.566 120.300 0.088 0.000 2.500 413 Y HA 0.346 4.994 4.550 0.163 0.000 0.270 413 Y C 1.867 177.813 175.900 0.077 0.000 1.134 413 Y CA 0.481 58.626 58.100 0.075 0.000 1.293 413 Y CB 0.264 38.761 38.460 0.061 0.000 1.063 413 Y HN 0.651 nan 8.280 nan 0.000 0.534 414 A N 0.613 123.552 122.820 0.198 0.000 2.014 414 A HA 0.082 4.500 4.320 0.163 0.000 0.210 414 A C 0.758 178.422 177.584 0.133 0.000 1.188 414 A CA 0.899 53.027 52.037 0.151 0.000 0.731 414 A CB -0.408 18.665 19.000 0.122 0.000 0.858 414 A HN 0.560 nan 8.150 nan 0.000 0.464 415 N N -1.327 117.448 118.700 0.125 0.000 2.605 415 N HA 0.169 5.007 4.740 0.163 0.000 0.265 415 N C -3.346 172.243 175.510 0.131 0.000 1.625 415 N CA -1.000 52.129 53.050 0.131 0.000 0.862 415 N CB 1.121 39.667 38.487 0.099 0.000 1.415 415 N HN 0.095 nan 8.380 nan 0.000 0.513 416 P HA 0.146 nan 4.420 nan 0.000 0.278 416 P C 0.774 178.181 177.300 0.179 0.000 1.258 416 P CA -0.225 62.934 63.100 0.099 0.000 0.811 416 P CB 1.490 33.205 31.700 0.025 0.000 1.063 417 V N -0.303 119.695 119.914 0.140 0.000 3.178 417 V HA 0.075 4.293 4.120 0.163 0.000 0.306 417 V C -0.187 176.037 176.094 0.218 0.000 1.107 417 V CA 0.316 62.729 62.300 0.189 0.000 1.195 417 V CB -1.167 30.733 31.823 0.129 0.000 0.993 417 V HN 0.366 nan 8.190 nan 0.000 0.493 418 Y N 2.522 122.838 120.300 0.028 0.000 2.409 418 Y HA 0.791 5.439 4.550 0.163 0.000 0.343 418 Y C 0.444 176.273 175.900 -0.119 0.000 0.973 418 Y CA -0.797 57.293 58.100 -0.017 0.000 1.064 418 Y CB 1.981 40.449 38.460 0.012 0.000 1.207 418 Y HN 0.885 nan 8.280 nan 0.000 0.452 419 R N -0.089 120.293 120.500 -0.197 0.000 3.132 419 R HA 0.587 5.025 4.340 0.163 0.000 0.257 419 R C -1.039 174.839 176.300 -0.703 0.000 1.203 419 R CA -0.578 55.334 56.100 -0.313 0.000 1.008 419 R CB 0.886 31.066 30.300 -0.200 0.000 1.378 419 R HN 0.477 nan 8.270 nan 0.000 0.448 420 D N -0.972 119.132 120.400 -0.493 0.000 2.449 420 D HA 0.173 4.911 4.640 0.163 0.000 0.255 420 D C -0.362 176.046 176.300 0.180 0.000 1.121 420 D CA -0.009 53.783 54.000 -0.347 0.000 0.830 420 D CB 0.789 41.616 40.800 0.046 0.000 1.280 420 D HN 0.162 nan 8.370 nan 0.000 0.522 421 V N 1.025 121.028 119.914 0.148 0.000 2.588 421 V HA 0.676 4.894 4.120 0.163 0.000 0.304 421 V C -0.835 175.405 176.094 0.243 0.000 1.042 421 V CA -1.080 61.393 62.300 0.288 0.000 0.877 421 V CB 2.232 34.106 31.823 0.084 0.000 0.996 421 V HN 0.058 nan 8.190 nan 0.000 0.425 422 V N 3.522 123.607 119.914 0.285 0.000 2.686 422 V HA 0.553 4.771 4.120 0.163 0.000 0.306 422 V C 0.071 176.140 176.094 -0.041 0.000 1.065 422 V CA -0.224 62.154 62.300 0.130 0.000 0.894 422 V CB 2.562 34.546 31.823 0.268 0.000 1.004 422 V HN 0.982 nan 8.190 nan 0.000 0.424 423 S N 3.329 118.819 115.700 -0.349 0.000 2.516 423 S HA 0.115 4.683 4.470 0.163 0.000 0.282 423 S C 1.400 175.936 174.600 -0.106 0.000 1.286 423 S CA 0.341 58.277 58.200 -0.440 0.000 1.066 423 S CB 0.881 63.419 63.200 -1.103 0.000 0.884 423 S HN 1.166 nan 8.310 nan 0.000 0.491 424 T N 2.730 117.330 114.554 0.078 0.000 3.118 424 T HA 0.397 4.845 4.350 0.163 0.000 0.260 424 T C 1.338 176.101 174.700 0.104 0.000 1.139 424 T CA 0.432 62.606 62.100 0.125 0.000 1.085 424 T CB -0.943 68.093 68.868 0.280 0.000 0.934 424 T HN 1.437 nan 8.240 nan 0.000 0.518 425 G N 1.647 110.500 108.800 0.088 0.000 2.553 425 G HA2 -0.120 3.938 3.960 0.163 0.000 0.242 425 G HA3 -0.120 3.938 3.960 0.163 0.000 0.242 425 G C -0.087 174.880 174.900 0.111 0.000 1.277 425 G CA -0.130 45.025 45.100 0.091 0.000 0.910 425 G HN 1.428 nan 8.290 nan 0.000 0.576 426 S N -0.026 115.687 115.700 0.022 0.000 2.689 426 S HA 0.779 5.347 4.470 0.163 0.000 0.306 426 S C -3.070 171.375 174.600 -0.258 0.000 1.104 426 S CA -1.180 56.906 58.200 -0.190 0.000 0.973 426 S CB 2.238 65.394 63.200 -0.072 0.000 1.121 426 S HN 0.659 nan 8.310 nan 0.000 0.523 427 P HA 0.226 nan 4.420 nan 0.000 0.253 427 P C 0.915 178.134 177.300 -0.135 0.000 1.170 427 P CA 1.472 64.410 63.100 -0.270 0.000 0.806 427 P CB -0.226 31.288 31.700 -0.310 0.000 0.775 428 G N 2.538 111.284 108.800 -0.090 0.000 2.545 428 G HA2 -0.144 3.914 3.960 0.163 0.000 0.195 428 G HA3 -0.144 3.914 3.960 0.163 0.000 0.195 428 G C -0.041 174.829 174.900 -0.049 0.000 1.009 428 G CA -0.522 44.544 45.100 -0.057 0.000 0.703 428 G HN 0.435 nan 8.290 nan 0.000 0.479 429 D N 0.712 121.079 120.400 -0.055 0.000 2.400 429 D HA 0.320 5.058 4.640 0.163 0.000 0.238 429 D C 0.009 176.270 176.300 -0.065 0.000 1.157 429 D CA 0.451 54.418 54.000 -0.055 0.000 0.889 429 D CB 0.719 41.494 40.800 -0.042 0.000 1.199 429 D HN 0.180 nan 8.370 nan 0.000 0.436 430 N N 1.086 119.735 118.700 -0.084 0.000 2.733 430 N HA 0.066 4.904 4.740 0.163 0.000 0.271 430 N C -1.356 174.077 175.510 -0.128 0.000 1.720 430 N CA -0.325 52.672 53.050 -0.090 0.000 0.803 430 N CB 0.421 38.887 38.487 -0.034 0.000 1.208 430 N HN -0.004 nan 8.380 nan 0.000 0.498 431 V N 1.936 121.776 119.914 -0.122 0.000 2.479 431 V HA -0.012 4.206 4.120 0.163 0.000 0.284 431 V C 0.452 176.458 176.094 -0.146 0.000 0.981 431 V CA 0.763 62.984 62.300 -0.133 0.000 1.139 431 V CB -0.505 31.264 31.823 -0.090 0.000 0.947 431 V HN 0.347 nan 8.190 nan 0.000 0.468 432 T N 7.298 121.764 114.554 -0.147 0.000 2.779 432 T HA 0.733 5.181 4.350 0.163 0.000 0.280 432 T C -0.201 174.441 174.700 -0.096 0.000 0.987 432 T CA -0.274 61.769 62.100 -0.096 0.000 0.966 432 T CB 1.205 70.088 68.868 0.025 0.000 0.933 432 T HN 0.590 nan 8.240 nan 0.000 0.442 433 I N 0.069 120.570 120.570 -0.115 0.000 2.740 433 I HA 0.833 5.101 4.170 0.163 0.000 0.303 433 I C -0.527 175.580 176.117 -0.017 0.000 1.044 433 I CA -1.282 59.956 61.300 -0.103 0.000 1.064 433 I CB 2.055 39.795 38.000 -0.432 0.000 1.249 433 I HN 0.341 nan 8.210 nan 0.000 0.433 434 R N 3.221 123.754 120.500 0.054 0.000 2.673 434 R HA 0.778 5.216 4.340 0.163 0.000 0.281 434 R C -1.600 174.794 176.300 0.156 0.000 0.991 434 R CA -0.616 55.493 56.100 0.015 0.000 0.896 434 R CB 2.357 32.658 30.300 0.002 0.000 1.201 434 R HN 0.771 nan 8.270 nan 0.000 0.457 435 F N -1.556 118.381 119.950 -0.023 0.000 2.715 435 F HA 0.644 5.270 4.527 0.164 0.000 0.318 435 F C -1.027 174.757 175.800 -0.028 0.000 1.141 435 F CA -1.481 56.514 58.000 -0.008 0.000 0.950 435 F CB 1.254 40.222 39.000 -0.054 0.000 1.374 435 F HN 0.150 nan 8.300 nan 0.000 0.477 436 R N 0.125 120.743 120.500 0.198 0.000 2.532 436 R HA 0.541 4.979 4.340 0.163 0.000 0.295 436 R C -0.982 175.441 176.300 0.205 0.000 0.968 436 R CA -0.800 55.365 56.100 0.108 0.000 0.916 436 R CB 1.856 32.229 30.300 0.122 0.000 1.124 436 R HN 0.797 nan 8.270 nan 0.000 0.463 437 T N -0.899 113.743 114.554 0.147 0.000 3.151 437 T HA 0.129 4.577 4.350 0.163 0.000 0.332 437 T C -0.095 174.747 174.700 0.236 0.000 1.245 437 T CA -0.841 61.408 62.100 0.249 0.000 1.019 437 T CB 0.052 69.036 68.868 0.193 0.000 1.109 437 T HN 0.608 nan 8.240 nan 0.000 0.621 438 D N 0.718 121.284 120.400 0.276 0.000 2.538 438 D HA 0.132 4.871 4.640 0.163 0.000 0.231 438 D C 0.059 176.503 176.300 0.241 0.000 1.229 438 D CA -0.610 53.504 54.000 0.190 0.000 0.828 438 D CB 0.105 40.959 40.800 0.089 0.000 1.035 438 D HN 0.371 nan 8.370 nan 0.000 0.495 439 N N 1.099 119.969 118.700 0.284 0.000 2.722 439 N HA 0.243 5.081 4.740 0.163 0.000 0.242 439 N C -2.970 172.803 175.510 0.438 0.000 1.398 439 N CA -1.471 51.729 53.050 0.250 0.000 0.755 439 N CB 1.358 39.734 38.487 -0.184 0.000 1.268 439 N HN -0.147 nan 8.380 nan 0.000 0.522 440 P HA 0.241 nan 4.420 nan 0.000 0.261 440 P C 0.299 177.668 177.300 0.115 0.000 1.183 440 P CA 0.753 63.968 63.100 0.192 0.000 0.761 440 P CB 0.433 32.173 31.700 0.068 0.000 0.785 441 G N 3.844 112.648 108.800 0.005 0.000 2.361 441 G HA2 0.113 4.171 3.960 0.163 0.000 0.331 441 G HA3 0.113 4.171 3.960 0.163 0.000 0.331 441 G C -3.421 171.106 174.900 -0.622 0.000 1.324 441 G CA -0.954 43.933 45.100 -0.354 0.000 0.984 441 G HN 0.299 nan 8.290 nan 0.000 0.586 442 P HA 0.427 nan 4.420 nan 0.000 0.282 442 P C -1.193 175.651 177.300 -0.759 0.000 1.262 442 P CA 0.069 62.862 63.100 -0.512 0.000 0.773 442 P CB 0.254 31.759 31.700 -0.326 0.000 0.879 443 W N 3.248 124.527 121.300 -0.036 0.000 2.683 443 W HA 0.356 5.115 4.660 0.165 0.000 0.329 443 W C -0.296 176.193 176.519 -0.050 0.000 1.037 443 W CA -0.864 56.453 57.345 -0.046 0.000 1.232 443 W CB 1.207 30.716 29.460 0.082 0.000 1.390 443 W HN 0.224 nan 8.180 nan 0.000 0.465 444 F N 4.547 124.370 119.950 -0.213 0.000 2.504 444 F HA 0.239 4.864 4.527 0.165 0.000 0.369 444 F C -0.006 175.744 175.800 -0.083 0.000 1.082 444 F CA -0.962 56.791 58.000 -0.412 0.000 1.216 444 F CB 0.282 38.640 39.000 -1.070 0.000 1.108 444 F HN 0.078 nan 8.300 nan 0.000 0.554 445 L N 7.614 128.965 121.223 0.214 0.000 2.298 445 L HA 0.472 4.910 4.340 0.163 0.000 0.284 445 L C -0.879 176.089 176.870 0.163 0.000 1.013 445 L CA -0.103 54.856 54.840 0.197 0.000 0.824 445 L CB 0.709 42.852 42.059 0.141 0.000 1.221 445 L HN 0.790 nan 8.230 nan 0.000 0.418 446 H N 1.386 120.375 119.070 -0.135 0.000 3.003 446 H HA 0.359 5.014 4.556 0.164 0.000 0.327 446 H C -1.221 173.524 175.328 -0.972 0.000 1.353 446 H CA -1.215 54.529 56.048 -0.505 0.000 1.142 446 H CB 0.571 29.794 29.762 -0.899 0.000 1.864 446 H HN 0.695 nan 8.280 nan 0.000 0.529 447 C N 2.199 120.554 119.300 -1.576 0.000 2.648 447 C HA 0.039 4.597 4.460 0.163 0.000 0.419 447 C C 1.432 175.902 174.990 -0.867 0.000 1.352 447 C CA 0.073 58.195 59.018 -1.493 0.000 1.816 447 C CB -0.900 26.184 27.740 -1.095 0.000 2.598 447 C HN 0.958 nan 8.230 nan 0.000 0.598 448 H N 4.036 122.742 119.070 -0.606 0.000 2.539 448 H HA 0.262 4.916 4.556 0.163 0.000 0.269 448 H C 0.679 175.916 175.328 -0.150 0.000 0.980 448 H CA 0.354 56.199 56.048 -0.337 0.000 1.152 448 H CB 0.118 29.793 29.762 -0.145 0.000 1.407 448 H HN 0.655 nan 8.280 nan 0.000 0.564 449 I N 1.973 122.525 120.570 -0.030 0.000 2.576 449 I HA -0.129 4.139 4.170 0.163 0.000 0.288 449 I C 1.441 177.443 176.117 -0.192 0.000 1.126 449 I CA 0.215 61.474 61.300 -0.069 0.000 1.362 449 I CB 0.526 38.481 38.000 -0.075 0.000 1.419 449 I HN 0.029 nan 8.210 nan 0.000 0.533 450 D N 5.152 125.398 120.400 -0.257 0.000 2.224 450 D HA -0.146 4.592 4.640 0.163 0.000 0.205 450 D C 1.718 177.799 176.300 -0.365 0.000 0.965 450 D CA 1.430 55.234 54.000 -0.325 0.000 0.852 450 D CB 0.136 40.700 40.800 -0.394 0.000 0.947 450 D HN 0.465 nan 8.370 nan 0.000 0.494 451 F N -0.400 119.434 119.950 -0.193 0.000 2.546 451 F HA 0.011 4.637 4.527 0.165 0.000 0.298 451 F C 2.041 177.837 175.800 -0.007 0.000 1.120 451 F CA 0.934 58.840 58.000 -0.156 0.000 1.456 451 F CB -0.452 38.410 39.000 -0.230 0.000 1.088 451 F HN 0.267 nan 8.300 nan 0.000 0.572 452 H N -1.936 117.182 119.070 0.081 0.000 2.557 452 H HA 0.082 4.736 4.556 0.163 0.000 0.281 452 H C 1.981 177.262 175.328 -0.079 0.000 0.990 452 H CA 0.235 56.238 56.048 -0.075 0.000 1.278 452 H CB 0.133 29.645 29.762 -0.418 0.000 1.451 452 H HN 0.172 nan 8.280 nan 0.000 0.516 453 L N 1.361 122.606 121.223 0.037 0.000 2.093 453 L HA -0.088 4.350 4.340 0.163 0.000 0.208 453 L C 2.035 179.005 176.870 0.167 0.000 1.085 453 L CA 1.640 56.512 54.840 0.052 0.000 0.755 453 L CB -0.194 41.864 42.059 -0.002 0.000 0.904 453 L HN 0.125 nan 8.230 nan 0.000 0.435 454 E N 0.170 120.461 120.200 0.151 0.000 2.267 454 E HA -0.143 4.305 4.350 0.163 0.000 0.197 454 E C 1.568 178.302 176.600 0.224 0.000 0.998 454 E CA 1.115 57.627 56.400 0.186 0.000 0.830 454 E CB -0.081 29.704 29.700 0.141 0.000 0.751 454 E HN 0.641 nan 8.360 nan 0.000 0.491 455 A N -0.406 122.577 122.820 0.272 0.000 2.462 455 A HA 0.386 4.804 4.320 0.163 0.000 0.261 455 A C 1.252 179.052 177.584 0.360 0.000 1.323 455 A CA 0.630 52.859 52.037 0.320 0.000 0.913 455 A CB -0.097 19.167 19.000 0.439 0.000 1.028 455 A HN 0.181 nan 8.150 nan 0.000 0.511 456 G N -0.977 108.027 108.800 0.340 0.000 2.176 456 G HA2 -0.289 3.770 3.960 0.163 0.000 0.252 456 G HA3 -0.289 3.770 3.960 0.163 0.000 0.252 456 G C 0.096 175.256 174.900 0.433 0.000 1.024 456 G CA 0.157 45.501 45.100 0.406 0.000 0.755 456 G HN 0.636 nan 8.290 nan 0.000 0.507 457 F N 1.189 121.168 119.950 0.048 0.000 2.661 457 F HA 0.486 5.110 4.527 0.163 0.000 0.356 457 F C 0.816 176.548 175.800 -0.113 0.000 1.244 457 F CA 0.020 57.939 58.000 -0.136 0.000 1.290 457 F CB -0.186 38.424 39.000 -0.649 0.000 1.677 457 F HN 0.488 nan 8.300 nan 0.000 0.649 458 A N 2.762 125.685 122.820 0.171 0.000 2.589 458 A HA 0.743 5.161 4.320 0.163 0.000 0.296 458 A C -1.858 175.833 177.584 0.179 0.000 1.062 458 A CA -0.577 51.436 52.037 -0.040 0.000 0.686 458 A CB 1.917 20.694 19.000 -0.371 0.000 1.282 458 A HN 0.216 nan 8.150 nan 0.000 0.404 459 V N 1.145 121.151 119.914 0.153 0.000 3.012 459 V HA 0.561 4.779 4.120 0.163 0.000 0.307 459 V C -1.001 175.305 176.094 0.353 0.000 1.166 459 V CA -0.474 62.032 62.300 0.342 0.000 0.974 459 V CB 2.375 34.405 31.823 0.345 0.000 1.040 459 V HN 0.934 nan 8.190 nan 0.000 0.428 460 V N 5.697 125.838 119.914 0.379 0.000 2.398 460 V HA 0.465 4.683 4.120 0.163 0.000 0.286 460 V C -0.027 176.249 176.094 0.302 0.000 1.026 460 V CA -0.665 61.795 62.300 0.266 0.000 0.868 460 V CB 1.638 33.536 31.823 0.124 0.000 0.982 460 V HN 0.729 nan 8.190 nan 0.000 0.443 461 M N 4.342 124.107 119.600 0.275 0.000 2.108 461 M HA 0.393 4.971 4.480 0.163 0.000 0.347 461 M C 0.335 176.779 176.300 0.240 0.000 1.326 461 M CA -0.276 55.203 55.300 0.297 0.000 1.126 461 M CB 0.583 33.376 32.600 0.322 0.000 1.606 461 M HN 0.687 nan 8.290 nan 0.000 0.462 462 A N 4.017 126.956 122.820 0.199 0.000 2.910 462 A HA 0.332 4.750 4.320 0.163 0.000 0.316 462 A C 0.277 177.953 177.584 0.153 0.000 1.493 462 A CA -0.585 51.523 52.037 0.118 0.000 1.150 462 A CB -0.284 18.762 19.000 0.076 0.000 1.159 462 A HN 0.792 nan 8.150 nan 0.000 0.526 463 E N 2.586 122.913 120.200 0.211 0.000 2.200 463 E HA 0.276 4.724 4.350 0.163 0.000 0.283 463 E C -0.632 176.079 176.600 0.186 0.000 1.015 463 E CA -0.461 56.095 56.400 0.259 0.000 0.819 463 E CB 0.486 30.450 29.700 0.440 0.000 1.081 463 E HN 0.480 nan 8.360 nan 0.000 0.397 464 D N 4.295 124.783 120.400 0.146 0.000 2.735 464 D HA -0.219 4.519 4.640 0.163 0.000 0.235 464 D C 0.592 176.934 176.300 0.070 0.000 1.175 464 D CA 0.688 54.751 54.000 0.106 0.000 0.683 464 D CB -1.057 39.815 40.800 0.120 0.000 1.008 464 D HN 0.703 nan 8.370 nan 0.000 0.416 465 I N 0.146 120.750 120.570 0.057 0.000 2.185 465 I HA -0.237 4.031 4.170 0.163 0.000 0.246 465 I C -0.545 175.584 176.117 0.020 0.000 1.088 465 I CA 1.397 62.714 61.300 0.030 0.000 1.347 465 I CB -0.948 37.068 38.000 0.028 0.000 1.041 465 I HN 0.297 nan 8.210 nan 0.000 0.415 466 P HA -0.078 nan 4.420 nan 0.000 0.230 466 P C 0.472 177.783 177.300 0.018 0.000 1.158 466 P CA 1.200 64.312 63.100 0.020 0.000 0.769 466 P CB 0.019 31.733 31.700 0.024 0.000 0.807 467 D N -2.068 118.345 120.400 0.023 0.000 2.433 467 D HA 0.065 4.803 4.640 0.163 0.000 0.211 467 D C 1.706 178.008 176.300 0.003 0.000 1.114 467 D CA 0.071 54.083 54.000 0.021 0.000 0.837 467 D CB 0.289 41.112 40.800 0.039 0.000 0.984 467 D HN -0.046 nan 8.370 nan 0.000 0.505 468 V N 1.604 121.512 119.914 -0.010 0.000 2.295 468 V HA -0.247 3.971 4.120 0.163 0.000 0.246 468 V C 2.670 178.732 176.094 -0.055 0.000 1.049 468 V CA 2.079 64.353 62.300 -0.044 0.000 1.024 468 V CB -0.648 31.136 31.823 -0.066 0.000 0.648 468 V HN 0.202 nan 8.190 nan 0.000 0.447 469 A N 0.119 122.915 122.820 -0.041 0.000 1.865 469 A HA -0.179 4.239 4.320 0.163 0.000 0.217 469 A C 2.400 179.962 177.584 -0.038 0.000 1.191 469 A CA 2.489 54.499 52.037 -0.043 0.000 0.623 469 A CB -0.925 18.059 19.000 -0.026 0.000 0.826 469 A HN 0.594 nan 8.150 nan 0.000 0.444 470 A N -1.674 121.134 122.820 -0.020 0.000 1.968 470 A HA 0.006 4.424 4.320 0.163 0.000 0.217 470 A C 2.243 179.824 177.584 -0.005 0.000 1.169 470 A CA 2.055 54.087 52.037 -0.008 0.000 0.638 470 A CB -1.017 17.985 19.000 0.004 0.000 0.812 470 A HN 0.425 nan 8.150 nan 0.000 0.446 471 T N 0.762 115.308 114.554 -0.014 0.000 2.951 471 T HA -0.020 4.428 4.350 0.163 0.000 0.268 471 T C 0.628 175.308 174.700 -0.035 0.000 1.073 471 T CA 0.947 63.031 62.100 -0.025 0.000 1.134 471 T CB -0.215 68.622 68.868 -0.052 0.000 0.884 471 T HN 0.474 nan 8.240 nan 0.000 0.479 472 N N 2.206 120.885 118.700 -0.035 0.000 2.886 472 N HA 0.209 5.047 4.740 0.163 0.000 0.285 472 N C -2.972 172.532 175.510 -0.010 0.000 1.706 472 N CA -0.984 52.066 53.050 -0.001 0.000 0.904 472 N CB 1.261 39.719 38.487 -0.048 0.000 1.224 472 N HN 0.317 nan 8.380 nan 0.000 0.488 473 P HA -0.027 nan 4.420 nan 0.000 0.266 473 P C 0.026 177.215 177.300 -0.185 0.000 1.195 473 P CA 0.029 63.087 63.100 -0.070 0.000 0.768 473 P CB 0.947 32.628 31.700 -0.031 0.000 0.838 474 V N 0.619 120.320 119.914 -0.355 0.000 2.495 474 V HA 0.578 4.796 4.120 0.163 0.000 0.298 474 V C -2.213 173.573 176.094 -0.513 0.000 1.031 474 V CA -2.631 59.230 62.300 -0.732 0.000 0.871 474 V CB 1.208 32.519 31.823 -0.853 0.000 0.988 474 V HN 0.431 nan 8.190 nan 0.000 0.432 475 P HA 0.170 nan 4.420 nan 0.000 0.271 475 P C 0.176 177.394 177.300 -0.137 0.000 1.218 475 P CA -0.074 62.810 63.100 -0.360 0.000 0.780 475 P CB 1.351 32.769 31.700 -0.470 0.000 0.901 476 Q N 2.548 122.309 119.800 -0.065 0.000 2.181 476 Q HA -0.171 4.267 4.340 0.163 0.000 0.205 476 Q C 2.063 178.083 176.000 0.034 0.000 0.980 476 Q CA 2.270 58.072 55.803 -0.003 0.000 0.862 476 Q CB -1.171 27.562 28.738 -0.007 0.000 0.905 476 Q HN 0.605 nan 8.270 nan 0.000 0.429 477 A N -0.938 121.915 122.820 0.055 0.000 1.940 477 A HA -0.192 4.226 4.320 0.163 0.000 0.219 477 A C 1.923 179.606 177.584 0.165 0.000 1.176 477 A CA 1.408 53.527 52.037 0.137 0.000 0.631 477 A CB -1.241 17.883 19.000 0.206 0.000 0.814 477 A HN 0.712 nan 8.150 nan 0.000 0.446 478 W N 1.051 122.353 121.300 0.003 0.000 2.358 478 W HA -0.143 4.616 4.660 0.165 0.000 0.303 478 W C 2.138 178.554 176.519 -0.172 0.000 1.208 478 W CA 1.933 59.199 57.345 -0.132 0.000 1.274 478 W CB -0.141 29.205 29.460 -0.190 0.000 1.138 478 W HN 0.266 nan 8.180 nan 0.000 0.515 479 S N -0.227 115.542 115.700 0.116 0.000 2.515 479 S HA -0.136 4.432 4.470 0.163 0.000 0.231 479 S C 0.862 175.352 174.600 -0.182 0.000 0.987 479 S CA 1.445 59.642 58.200 -0.005 0.000 0.936 479 S CB -0.295 62.982 63.200 0.128 0.000 0.766 479 S HN 0.320 nan 8.310 nan 0.000 0.528 480 D N 0.929 121.226 120.400 -0.172 0.000 2.305 480 D HA 0.167 4.905 4.640 0.163 0.000 0.206 480 D C 1.717 177.866 176.300 -0.252 0.000 0.974 480 D CA 0.168 54.070 54.000 -0.163 0.000 0.871 480 D CB 0.052 40.803 40.800 -0.081 0.000 0.947 480 D HN 0.215 nan 8.370 nan 0.000 0.516 481 L N 0.025 121.004 121.223 -0.406 0.000 1.997 481 L HA -0.297 4.141 4.340 0.163 0.000 0.216 481 L C 2.259 178.930 176.870 -0.331 0.000 1.074 481 L CA 1.037 55.600 54.840 -0.461 0.000 0.763 481 L CB -0.638 40.972 42.059 -0.747 0.000 0.890 481 L HN 0.310 nan 8.230 nan 0.000 0.434 482 c N -0.345 118.040 118.600 -0.359 0.000 2.462 482 c HA -0.052 4.616 4.570 0.163 0.000 0.278 482 c C 0.367 174.408 174.090 -0.081 0.000 1.253 482 c CA 0.685 56.901 56.329 -0.188 0.000 1.713 482 c CB -1.742 40.640 42.510 -0.212 0.000 2.049 482 c HN 0.414 nan 8.230 nan 0.000 0.477 483 P HA -0.090 nan 4.420 nan 0.000 0.218 483 P C 1.262 178.521 177.300 -0.068 0.000 1.148 483 P CA 1.896 64.953 63.100 -0.071 0.000 0.822 483 P CB -0.436 31.221 31.700 -0.072 0.000 0.784 484 T N -1.178 113.314 114.554 -0.103 0.000 2.737 484 T HA -0.183 4.265 4.350 0.163 0.000 0.265 484 T C 1.729 176.379 174.700 -0.083 0.000 1.038 484 T CA 1.171 63.189 62.100 -0.137 0.000 1.144 484 T CB -1.134 67.561 68.868 -0.289 0.000 0.866 484 T HN 0.062 nan 8.240 nan 0.000 0.434 485 Y N 2.121 122.325 120.300 -0.160 0.000 2.293 485 Y HA -0.102 4.540 4.550 0.153 0.000 0.291 485 Y C 1.860 177.739 175.900 -0.036 0.000 1.137 485 Y CA 1.088 59.135 58.100 -0.088 0.000 1.202 485 Y CB -0.253 38.155 38.460 -0.087 0.000 0.990 485 Y HN 0.142 nan 8.280 nan 0.000 0.537 486 D N -0.217 120.170 120.400 -0.022 0.000 2.269 486 D HA -0.044 4.694 4.640 0.163 0.000 0.208 486 D C 2.058 178.288 176.300 -0.118 0.000 0.963 486 D CA 1.046 55.002 54.000 -0.073 0.000 0.864 486 D CB -0.169 40.633 40.800 0.003 0.000 0.936 486 D HN 0.481 nan 8.370 nan 0.000 0.505 487 A N 0.532 123.289 122.820 -0.105 0.000 2.067 487 A HA 0.046 4.464 4.320 0.163 0.000 0.217 487 A C 1.272 178.792 177.584 -0.107 0.000 1.156 487 A CA 0.042 52.027 52.037 -0.086 0.000 0.683 487 A CB -0.325 18.642 19.000 -0.055 0.000 0.808 487 A HN 0.149 nan 8.150 nan 0.000 0.455 488 L N 1.444 122.568 121.223 -0.165 0.000 2.485 488 L HA 0.075 4.513 4.340 0.163 0.000 0.275 488 L C 0.411 177.181 176.870 -0.166 0.000 1.207 488 L CA -0.473 54.267 54.840 -0.167 0.000 0.855 488 L CB 0.427 42.347 42.059 -0.230 0.000 1.114 488 L HN 0.140 nan 8.230 nan 0.000 0.485 489 S N 3.170 118.797 115.700 -0.121 0.000 2.585 489 S HA 0.103 4.671 4.470 0.163 0.000 0.273 489 S C -1.481 173.031 174.600 -0.147 0.000 1.339 489 S CA -1.021 57.109 58.200 -0.117 0.000 1.028 489 S CB 0.989 64.133 63.200 -0.094 0.000 0.906 489 S HN 0.486 nan 8.310 nan 0.000 0.528 490 P HA -0.112 nan 4.420 nan 0.000 0.216 490 P C -0.286 176.830 177.300 -0.307 0.000 1.154 490 P CA 1.174 64.194 63.100 -0.134 0.000 0.865 490 P CB -0.086 31.567 31.700 -0.079 0.000 0.789 491 D N 0.521 120.708 120.400 -0.354 0.000 2.339 491 D HA 0.085 4.823 4.640 0.163 0.000 0.256 491 D C 0.375 176.477 176.300 -0.329 0.000 1.214 491 D CA 0.461 54.122 54.000 -0.565 0.000 0.877 491 D CB 0.584 41.214 40.800 -0.282 0.000 1.111 491 D HN 0.071 nan 8.370 nan 0.000 0.478 492 D N 0.451 120.688 120.400 -0.272 0.000 2.316 492 D HA -0.141 4.597 4.640 0.163 0.000 0.205 492 D C 0.331 176.663 176.300 0.053 0.000 0.803 492 D CA 0.385 54.359 54.000 -0.044 0.000 0.961 492 D CB -0.474 40.290 40.800 -0.061 0.000 1.426 492 D HN 0.413 nan 8.370 nan 0.000 0.654 493 Q N 0.000 119.842 119.800 0.069 0.000 2.315 493 Q HA 0.000 4.438 4.340 0.163 0.000 0.214 493 Q CA 0.000 55.926 55.803 0.206 0.000 1.022 493 Q CB 0.000 28.856 28.738 0.197 0.000 1.108 493 Q HN 0.000 nan 8.270 nan 0.000 0.481