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 2v0c_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEKYNPHAIE AKWQRFWEEK GFMKAKDLPX XXGKQYVLVM FPYPSGDLHM DATA SEQUENCE GHLKNYTMGD VLARFRRMQG YEVLHPMGWD AFGLPAENAA LKFGVHPKDW DATA SEQUENCE TYANIRQAKE SLRLMGILYD WDREVTTCEP EYYRWNQWIF LKMWEKGLAY DATA SEQUENCE RAKGLVNWCP KCQTVLANEQ VVEGRCWRHE DTPVEKRELE QWYLRITAYA DATA SEQUENCE ERLLKDLEGL NWPEKVKAMQ RAWIGRSEGA EILFPVEGKE VRIPVFTTRP DATA SEQUENCE DTLFGATFLV LAPEHPLTLE LAAPEKREEV LAYVEAAKRK TEIERQAEGR DATA SEQUENCE EKTGVFLGAY ALNPATGERI PIWTADYVLF GYGTGAIMAV PAHDQRDYEF DATA SEQUENCE ARKFGLPIKK VIERPGEPLP EPLERAYEEP GIMVNSGPFD GTESEEGKRK DATA SEQUENCE VIAWLEEKGL GKGRVTYRLR DWLISRQRYW GTPIPMVHCE ACGVVPVPEE DATA SEQUENCE ELPVLLPDLK DVEDIRPKGK SPLEAHPEFY ETTCPKCGGP AKRDTDTMDT DATA SEQUENCE FFDSSWYYLR YTDPHNDRLP FDPEKANAWM PVDQYIGGVE HAVLHLLYSR DATA SEQUENCE FFTKFLHDLG MVKVEEPFQG LFTQGMVLAW TDFGPVEVEG SVVRLPEPTR DATA SEQUENCE IRLEIPESAL SLEDVRKMGA ELRPHEDGTL HLWKPAVMSK SKGNGVMVGP DATA SEQUENCE FVKEQGADIA RITILFAAPP ENEMVWTEEG VQGAWRFLNR IYRRVAEDRE DATA SEQUENCE ALLETSGVFQ AEALEGKDRE LYGKLHETLK KVTEDLEALR FNTAIAALME DATA SEQUENCE FLNALYEYRK DRPVTPVYRT AIRYYLQMLF PFAPHLAEEL WHWFWPDSLF DATA SEQUENCE EAGWPELDEK ALE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.377 176.300 0.129 0.000 1.140 1 M CA 0.000 55.361 55.300 0.102 0.000 0.988 1 M CB 0.000 32.675 32.600 0.125 0.000 1.302 2 E N 4.143 124.442 120.200 0.164 0.000 2.371 2 E HA 0.410 4.763 4.350 0.006 0.000 0.257 2 E C -1.440 175.293 176.600 0.222 0.000 1.134 2 E CA -0.220 56.281 56.400 0.167 0.000 0.919 2 E CB 1.077 30.879 29.700 0.170 0.000 1.025 2 E HN 0.686 nan 8.360 nan 0.000 0.438 3 K N 0.617 121.058 120.400 0.068 0.000 2.238 3 K HA 0.180 4.504 4.320 0.006 0.000 0.239 3 K C -0.593 175.749 176.600 -0.429 0.000 0.987 3 K CA -1.100 55.162 56.287 -0.041 0.000 0.857 3 K CB 0.970 33.486 32.500 0.028 0.000 1.154 3 K HN 0.461 nan 8.250 nan 0.000 0.439 4 Y N 2.104 121.967 120.300 -0.729 0.000 2.810 4 Y HA -0.087 4.466 4.550 0.006 0.000 0.332 4 Y C -0.455 175.329 175.900 -0.194 0.000 1.243 4 Y CA 0.368 58.047 58.100 -0.701 0.000 1.537 4 Y CB 0.179 38.512 38.460 -0.212 0.000 1.265 4 Y HN 0.508 nan 8.280 nan 0.000 0.572 5 N N 8.133 126.469 118.700 -0.606 0.000 2.581 5 N HA 0.331 5.074 4.740 0.006 0.000 0.279 5 N C -2.498 172.681 175.510 -0.552 0.000 1.124 5 N CA -2.111 50.655 53.050 -0.474 0.000 0.833 5 N CB 1.547 39.942 38.487 -0.153 0.000 1.338 5 N HN 0.352 nan 8.380 nan 0.000 0.533 6 P HA -0.017 nan 4.420 nan 0.000 0.229 6 P C -0.256 176.846 177.300 -0.330 0.000 1.160 6 P CA 0.664 63.425 63.100 -0.563 0.000 0.777 6 P CB 0.029 31.354 31.700 -0.625 0.000 0.814 7 H N 0.293 119.293 119.070 -0.116 0.000 2.815 7 H HA 0.261 4.820 4.556 0.006 0.000 0.350 7 H C 1.720 177.019 175.328 -0.047 0.000 1.080 7 H CA 0.800 56.810 56.048 -0.063 0.000 1.433 7 H CB 0.656 30.390 29.762 -0.046 0.000 1.432 7 H HN 0.102 nan 8.280 nan 0.000 0.592 8 A N 2.735 125.607 122.820 0.086 0.000 2.070 8 A HA -0.360 3.963 4.320 0.006 0.000 0.231 8 A C 2.097 179.661 177.584 -0.033 0.000 0.501 8 A CA 1.945 53.989 52.037 0.013 0.000 1.119 8 A CB -2.324 16.679 19.000 0.004 0.000 1.430 8 A HN 0.814 nan 8.150 nan 0.000 0.706 9 I N -2.247 118.322 120.570 -0.001 0.000 2.361 9 I HA -0.158 4.015 4.170 0.006 0.000 0.251 9 I C 1.869 178.010 176.117 0.040 0.000 1.133 9 I CA 2.471 63.773 61.300 0.002 0.000 1.413 9 I CB -0.556 37.569 38.000 0.207 0.000 1.073 9 I HN 0.599 nan 8.210 nan 0.000 0.424 10 E N 1.852 122.088 120.200 0.059 0.000 2.046 10 E HA -0.112 4.241 4.350 0.006 0.000 0.190 10 E C 2.496 179.165 176.600 0.115 0.000 0.982 10 E CA 1.181 57.625 56.400 0.073 0.000 0.800 10 E CB -0.244 29.310 29.700 -0.245 0.000 0.756 10 E HN 0.659 nan 8.360 nan 0.000 0.449 11 A N 2.137 124.975 122.820 0.030 0.000 1.908 11 A HA -0.279 4.044 4.320 0.006 0.000 0.218 11 A C 2.096 179.657 177.584 -0.038 0.000 1.181 11 A CA 1.910 53.962 52.037 0.025 0.000 0.627 11 A CB -0.491 18.513 19.000 0.005 0.000 0.818 11 A HN 0.109 nan 8.150 nan 0.000 0.445 12 K N -1.273 119.024 120.400 -0.171 0.000 2.002 12 K HA -0.209 4.114 4.320 0.006 0.000 0.209 12 K C 1.887 178.240 176.600 -0.411 0.000 1.048 12 K CA 1.838 57.901 56.287 -0.374 0.000 0.930 12 K CB -0.355 31.760 32.500 -0.642 0.000 0.714 12 K HN 0.685 nan 8.250 nan 0.000 0.438 13 W N 1.282 122.451 121.300 -0.217 0.000 2.436 13 W HA -0.061 4.602 4.660 0.006 0.000 0.284 13 W C 2.429 178.507 176.519 -0.736 0.000 1.225 13 W CA 0.271 57.244 57.345 -0.619 0.000 1.271 13 W CB -0.020 28.916 29.460 -0.873 0.000 1.114 13 W HN 0.256 nan 8.180 nan 0.000 0.559 14 Q N 0.398 120.191 119.800 -0.012 0.000 2.061 14 Q HA -0.257 4.086 4.340 0.006 0.000 0.204 14 Q C 2.272 178.434 176.000 0.270 0.000 0.984 14 Q CA 1.839 57.823 55.803 0.301 0.000 0.846 14 Q CB -0.401 28.540 28.738 0.338 0.000 0.902 14 Q HN 0.284 nan 8.270 nan 0.000 0.421 15 R N -0.149 120.443 120.500 0.154 0.000 2.075 15 R HA -0.164 4.179 4.340 0.006 0.000 0.232 15 R C 2.140 178.555 176.300 0.191 0.000 1.126 15 R CA 1.260 57.445 56.100 0.142 0.000 0.963 15 R CB -0.315 30.028 30.300 0.071 0.000 0.858 15 R HN 0.247 nan 8.270 nan 0.000 0.435 16 F N 0.446 120.418 119.950 0.035 0.000 2.069 16 F HA -0.259 4.271 4.527 0.005 0.000 0.298 16 F C 1.656 177.632 175.800 0.293 0.000 1.113 16 F CA 1.592 59.665 58.000 0.122 0.000 1.214 16 F CB -0.366 38.728 39.000 0.157 0.000 0.978 16 F HN 0.087 nan 8.300 nan 0.000 0.474 17 W N 0.684 122.217 121.300 0.387 0.000 2.363 17 W HA -0.133 4.531 4.660 0.005 0.000 0.296 17 W C 2.503 179.049 176.519 0.046 0.000 1.212 17 W CA 1.463 58.988 57.345 0.300 0.000 1.260 17 W CB -1.378 28.393 29.460 0.518 0.000 1.131 17 W HN 0.186 nan 8.180 nan 0.000 0.530 18 E N 0.796 121.185 120.200 0.315 0.000 2.047 18 E HA -0.181 4.172 4.350 0.006 0.000 0.191 18 E C 1.866 178.484 176.600 0.029 0.000 0.987 18 E CA 1.781 58.289 56.400 0.180 0.000 0.799 18 E CB -0.375 29.448 29.700 0.206 0.000 0.752 18 E HN 0.221 nan 8.360 nan 0.000 0.449 19 E N -0.035 120.163 120.200 -0.004 0.000 2.097 19 E HA -0.198 4.156 4.350 0.006 0.000 0.196 19 E C 1.914 178.393 176.600 -0.200 0.000 1.000 19 E CA 1.217 57.575 56.400 -0.070 0.000 0.804 19 E CB -0.022 29.656 29.700 -0.037 0.000 0.740 19 E HN 0.091 nan 8.360 nan 0.000 0.454 20 K N -0.631 119.521 120.400 -0.413 0.000 2.288 20 K HA -0.027 4.296 4.320 0.006 0.000 0.201 20 K C 1.293 177.473 176.600 -0.700 0.000 1.048 20 K CA 0.863 56.708 56.287 -0.738 0.000 0.956 20 K CB 0.066 31.653 32.500 -1.523 0.000 0.746 20 K HN 0.316 nan 8.250 nan 0.000 0.461 21 G N 1.651 110.182 108.800 -0.448 0.000 2.221 21 G HA2 -0.258 3.705 3.960 0.006 0.000 0.265 21 G HA3 -0.258 3.705 3.960 0.006 0.000 0.265 21 G C 0.545 175.269 174.900 -0.294 0.000 1.041 21 G CA 0.186 45.126 45.100 -0.267 0.000 0.807 21 G HN 0.174 nan 8.290 nan 0.000 0.502 22 F N -0.564 119.213 119.950 -0.287 0.000 2.202 22 F HA 0.071 4.601 4.527 0.005 0.000 0.301 22 F C 2.586 178.078 175.800 -0.513 0.000 1.082 22 F CA 1.521 59.202 58.000 -0.532 0.000 1.313 22 F CB -0.110 38.196 39.000 -1.157 0.000 1.024 22 F HN 0.276 nan 8.300 nan 0.000 0.495 23 M N -0.027 119.442 119.600 -0.219 0.000 2.475 23 M HA 0.088 4.571 4.480 0.006 0.000 0.261 23 M C 0.370 176.600 176.300 -0.116 0.000 1.177 23 M CA 0.039 55.239 55.300 -0.167 0.000 0.979 23 M CB -0.835 31.679 32.600 -0.144 0.000 1.482 23 M HN -0.092 nan 8.290 nan 0.000 0.484 24 K N 1.808 122.151 120.400 -0.094 0.000 2.412 24 K HA 0.375 4.699 4.320 0.006 0.000 0.281 24 K C -0.391 176.174 176.600 -0.058 0.000 1.027 24 K CA -0.028 56.216 56.287 -0.072 0.000 0.989 24 K CB 0.781 33.252 32.500 -0.048 0.000 0.935 24 K HN 0.214 nan 8.250 nan 0.000 0.475 25 A N 4.788 127.557 122.820 -0.085 0.000 2.305 25 A HA 0.281 4.604 4.320 0.006 0.000 0.322 25 A C -0.623 177.022 177.584 0.101 0.000 1.187 25 A CA -0.715 51.304 52.037 -0.030 0.000 0.825 25 A CB 0.564 19.360 19.000 -0.341 0.000 1.164 25 A HN 0.803 nan 8.150 nan 0.000 0.498 26 K N 1.257 121.805 120.400 0.247 0.000 2.414 26 K HA 0.020 4.344 4.320 0.006 0.000 0.272 26 K C -0.057 176.724 176.600 0.302 0.000 0.993 26 K CA -0.243 56.168 56.287 0.206 0.000 0.964 26 K CB 0.546 33.129 32.500 0.137 0.000 0.925 26 K HN 0.681 nan 8.250 nan 0.000 0.487 27 D N 1.365 121.870 120.400 0.175 0.000 2.104 27 D HA -0.110 4.533 4.640 0.006 0.000 0.194 27 D C 0.298 176.705 176.300 0.178 0.000 0.994 27 D CA 1.433 55.544 54.000 0.185 0.000 0.830 27 D CB 0.106 40.964 40.800 0.095 0.000 0.959 27 D HN 0.291 nan 8.370 nan 0.000 0.452 28 L N 1.586 122.828 121.223 0.033 0.000 2.376 28 L HA 0.356 4.700 4.340 0.006 0.000 0.275 28 L C -2.169 174.569 176.870 -0.220 0.000 0.987 28 L CA -1.798 52.962 54.840 -0.135 0.000 0.828 28 L CB 2.499 44.500 42.059 -0.097 0.000 1.249 28 L HN -0.136 nan 8.230 nan 0.000 0.409 34 K N 0.541 121.039 120.400 0.164 0.000 2.395 34 K HA 0.893 5.216 4.320 0.006 0.000 0.247 34 K C -0.811 175.847 176.600 0.096 0.000 0.973 34 K CA -0.899 55.450 56.287 0.104 0.000 0.828 34 K CB 2.360 34.740 32.500 -0.200 0.000 1.272 34 K HN 0.303 nan 8.250 nan 0.000 0.439 35 Q N 1.732 121.626 119.800 0.156 0.000 2.263 35 Q HA 0.213 4.557 4.340 0.006 0.000 0.266 35 Q C -1.733 174.417 176.000 0.250 0.000 1.002 35 Q CA -0.620 55.209 55.803 0.043 0.000 0.790 35 Q CB 1.716 30.314 28.738 -0.233 0.000 1.272 35 Q HN 0.741 nan 8.270 nan 0.000 0.435 36 Y N 2.971 123.331 120.300 0.101 0.000 2.434 36 Y HA 0.381 4.934 4.550 0.005 0.000 0.341 36 Y C -0.913 174.979 175.900 -0.014 0.000 0.965 36 Y CA -1.238 56.888 58.100 0.043 0.000 1.205 36 Y CB 0.773 39.295 38.460 0.102 0.000 1.121 36 Y HN 0.275 nan 8.280 nan 0.000 0.507 37 V N 8.550 128.632 119.914 0.279 0.000 2.328 37 V HA 0.313 4.436 4.120 0.006 0.000 0.278 37 V C -0.665 175.562 176.094 0.220 0.000 1.021 37 V CA -0.729 61.656 62.300 0.142 0.000 0.838 37 V CB 1.147 32.986 31.823 0.028 0.000 0.999 37 V HN 0.571 nan 8.190 nan 0.000 0.447 38 L N 7.375 128.658 121.223 0.100 0.000 2.365 38 L HA 0.842 5.185 4.340 0.006 0.000 0.273 38 L C -0.326 176.702 176.870 0.264 0.000 1.000 38 L CA -0.277 54.620 54.840 0.095 0.000 0.819 38 L CB 2.119 44.028 42.059 -0.250 0.000 1.284 38 L HN 0.530 nan 8.230 nan 0.000 0.418 39 V N 2.047 122.111 119.914 0.250 0.000 2.715 39 V HA 0.568 4.691 4.120 0.006 0.000 0.310 39 V C 0.246 176.539 176.094 0.330 0.000 1.054 39 V CA -0.981 61.487 62.300 0.281 0.000 0.928 39 V CB 1.787 33.829 31.823 0.365 0.000 1.007 39 V HN 0.821 nan 8.190 nan 0.000 0.437 40 M N 5.471 125.221 119.600 0.250 0.000 2.427 40 M HA 0.250 4.733 4.480 0.006 0.000 0.345 40 M C -0.204 176.265 176.300 0.281 0.000 1.653 40 M CA 0.023 55.463 55.300 0.232 0.000 1.138 40 M CB -0.050 32.532 32.600 -0.030 0.000 1.995 40 M HN 0.827 nan 8.290 nan 0.000 0.459 41 F N 5.589 125.457 119.950 -0.138 0.000 2.563 41 F HA 0.514 5.045 4.527 0.007 0.000 0.363 41 F C -2.587 173.002 175.800 -0.350 0.000 1.123 41 F CA -3.196 54.592 58.000 -0.352 0.000 1.307 41 F CB -1.058 37.657 39.000 -0.476 0.000 1.115 41 F HN 0.323 nan 8.300 nan 0.000 0.592 42 P HA 0.177 nan 4.420 nan 0.000 0.281 42 P C -1.434 175.635 177.300 -0.386 0.000 1.249 42 P CA -0.298 62.663 63.100 -0.232 0.000 0.810 42 P CB 0.547 32.257 31.700 0.016 0.000 1.008 43 Y N 2.036 122.244 120.300 -0.153 0.000 2.544 43 Y HA 0.139 4.692 4.550 0.006 0.000 0.330 43 Y C -1.186 174.698 175.900 -0.027 0.000 1.136 43 Y CA -1.991 56.045 58.100 -0.106 0.000 1.417 43 Y CB -0.491 37.945 38.460 -0.041 0.000 1.229 43 Y HN 0.249 nan 8.280 nan 0.000 0.532 44 P HA 0.069 nan 4.420 nan 0.000 0.220 44 P C 0.129 177.536 177.300 0.179 0.000 1.806 44 P CA -0.027 63.108 63.100 0.058 0.000 0.976 44 P CB -0.066 31.590 31.700 -0.072 0.000 1.952 45 S N -0.327 115.516 115.700 0.238 0.000 2.540 45 S HA 0.524 4.997 4.470 0.006 0.000 0.218 45 S C 0.883 175.738 174.600 0.424 0.000 0.977 45 S CA 0.101 58.532 58.200 0.384 0.000 0.918 45 S CB 0.254 63.571 63.200 0.194 0.000 0.806 45 S HN 0.392 nan 8.310 nan 0.000 0.496 46 G N 0.270 109.187 108.800 0.196 0.000 2.428 46 G HA2 0.391 4.354 3.960 0.006 0.000 0.304 46 G HA3 0.391 4.354 3.960 0.006 0.000 0.304 46 G C -2.326 172.557 174.900 -0.029 0.000 1.303 46 G CA -0.845 44.331 45.100 0.128 0.000 0.825 46 G HN 0.066 nan 8.290 nan 0.000 0.484 47 D N 0.683 121.076 120.400 -0.012 0.000 2.414 47 D HA 0.311 4.955 4.640 0.006 0.000 0.242 47 D C 0.742 177.026 176.300 -0.026 0.000 1.129 47 D CA 0.188 54.169 54.000 -0.032 0.000 0.885 47 D CB 1.225 42.036 40.800 0.019 0.000 1.198 47 D HN 0.268 nan 8.370 nan 0.000 0.437 48 L N 2.657 123.831 121.223 -0.082 0.000 2.426 48 L HA 0.121 4.465 4.340 0.006 0.000 0.271 48 L C 0.611 177.537 176.870 0.092 0.000 1.169 48 L CA -0.080 54.703 54.840 -0.095 0.000 0.836 48 L CB 0.171 42.208 42.059 -0.037 0.000 1.112 48 L HN 0.546 nan 8.230 nan 0.000 0.465 49 H N 0.601 119.885 119.070 0.355 0.000 2.927 49 H HA 0.415 4.974 4.556 0.005 0.000 0.316 49 H C 0.413 175.720 175.328 -0.034 0.000 1.403 49 H CA -1.046 55.041 56.048 0.065 0.000 1.288 49 H CB 0.507 30.255 29.762 -0.024 0.000 1.944 49 H HN 0.306 nan 8.280 nan 0.000 0.629 50 M N 0.395 120.002 119.600 0.012 0.000 2.358 50 M HA -0.019 4.465 4.480 0.006 0.000 0.264 50 M C 1.980 178.282 176.300 0.003 0.000 1.064 50 M CA 1.431 56.642 55.300 -0.148 0.000 1.093 50 M CB -1.363 30.839 32.600 -0.663 0.000 1.401 50 M HN 0.947 nan 8.290 nan 0.000 0.440 51 G N -0.446 108.463 108.800 0.181 0.000 2.414 51 G HA2 -0.218 3.745 3.960 0.006 0.000 0.215 51 G HA3 -0.218 3.745 3.960 0.006 0.000 0.215 51 G C 1.246 176.066 174.900 -0.133 0.000 1.188 51 G CA 0.849 45.973 45.100 0.040 0.000 0.783 51 G HN 0.486 nan 8.290 nan 0.000 0.537 52 H N -0.141 118.837 119.070 -0.153 0.000 2.353 52 H HA 0.014 4.573 4.556 0.005 0.000 0.298 52 H C 2.442 177.505 175.328 -0.442 0.000 1.103 52 H CA 0.978 56.779 56.048 -0.411 0.000 1.293 52 H CB -0.032 29.516 29.762 -0.357 0.000 1.372 52 H HN 0.123 nan 8.280 nan 0.000 0.501 53 L N 1.032 122.246 121.223 -0.015 0.000 2.376 53 L HA -0.113 4.231 4.340 0.006 0.000 0.219 53 L C 2.280 179.178 176.870 0.046 0.000 1.133 53 L CA 1.289 56.172 54.840 0.071 0.000 0.816 53 L CB -0.721 41.411 42.059 0.121 0.000 0.933 53 L HN 0.344 nan 8.230 nan 0.000 0.449 54 K N 0.733 121.137 120.400 0.006 0.000 2.002 54 K HA -0.234 4.089 4.320 0.006 0.000 0.209 54 K C 1.827 178.429 176.600 0.003 0.000 1.048 54 K CA 1.913 58.221 56.287 0.036 0.000 0.930 54 K CB -0.095 32.433 32.500 0.046 0.000 0.714 54 K HN 0.297 nan 8.250 nan 0.000 0.438 55 N N -1.240 117.395 118.700 -0.108 0.000 2.061 55 N HA -0.216 4.527 4.740 0.006 0.000 0.193 55 N C 1.578 177.134 175.510 0.077 0.000 1.030 55 N CA 1.535 54.517 53.050 -0.113 0.000 0.856 55 N CB -0.047 38.219 38.487 -0.367 0.000 1.023 55 N HN 0.224 nan 8.380 nan 0.000 0.424 56 Y N 0.282 120.651 120.300 0.115 0.000 2.365 56 Y HA 0.075 4.628 4.550 0.005 0.000 0.293 56 Y C 2.653 178.608 175.900 0.091 0.000 1.119 56 Y CA 0.644 58.833 58.100 0.148 0.000 1.203 56 Y CB -0.907 37.675 38.460 0.203 0.000 1.026 56 Y HN 0.053 nan 8.280 nan 0.000 0.549 57 T N 0.184 114.844 114.554 0.176 0.000 2.821 57 T HA -0.191 4.162 4.350 0.006 0.000 0.267 57 T C 2.044 176.690 174.700 -0.090 0.000 1.046 57 T CA 1.475 63.595 62.100 0.034 0.000 1.139 57 T CB -0.330 68.563 68.868 0.041 0.000 0.871 57 T HN 0.249 nan 8.240 nan 0.000 0.454 58 M N 0.890 120.469 119.600 -0.035 0.000 2.108 58 M HA -0.048 4.435 4.480 0.006 0.000 0.261 58 M C 2.732 178.977 176.300 -0.092 0.000 1.066 58 M CA 1.794 57.046 55.300 -0.081 0.000 1.107 58 M CB -0.677 32.004 32.600 0.134 0.000 1.356 58 M HN 0.392 nan 8.290 nan 0.000 0.406 59 G N -0.451 108.368 108.800 0.031 0.000 2.402 59 G HA2 -0.249 3.715 3.960 0.006 0.000 0.216 59 G HA3 -0.249 3.715 3.960 0.006 0.000 0.216 59 G C 1.034 175.758 174.900 -0.294 0.000 1.162 59 G CA 1.339 46.454 45.100 0.025 0.000 0.777 59 G HN 0.441 nan 8.290 nan 0.000 0.539 60 D N -0.141 120.112 120.400 -0.244 0.000 2.117 60 D HA -0.111 4.532 4.640 0.006 0.000 0.197 60 D C 2.647 178.644 176.300 -0.505 0.000 0.987 60 D CA 0.989 54.734 54.000 -0.425 0.000 0.829 60 D CB -0.057 40.586 40.800 -0.261 0.000 0.961 60 D HN 0.132 nan 8.370 nan 0.000 0.460 61 V N 0.322 119.921 119.914 -0.525 0.000 2.255 61 V HA -0.233 3.890 4.120 0.006 0.000 0.247 61 V C 2.474 178.257 176.094 -0.518 0.000 1.051 61 V CA 1.440 63.326 62.300 -0.690 0.000 1.018 61 V CB -0.588 30.594 31.823 -1.069 0.000 0.641 61 V HN 0.289 nan 8.190 nan 0.000 0.445 62 L N 0.334 121.343 121.223 -0.356 0.000 2.056 62 L HA -0.035 4.309 4.340 0.006 0.000 0.207 62 L C 2.469 179.216 176.870 -0.204 0.000 1.078 62 L CA 2.201 56.958 54.840 -0.139 0.000 0.749 62 L CB -1.053 40.986 42.059 -0.033 0.000 0.901 62 L HN 0.255 nan 8.230 nan 0.000 0.433 63 A N -0.631 121.956 122.820 -0.388 0.000 1.877 63 A HA -0.226 4.097 4.320 0.006 0.000 0.216 63 A C 2.428 179.857 177.584 -0.259 0.000 1.186 63 A CA 1.776 53.563 52.037 -0.415 0.000 0.620 63 A CB -0.494 17.994 19.000 -0.853 0.000 0.822 63 A HN 0.441 nan 8.150 nan 0.000 0.443 64 R N -1.857 118.461 120.500 -0.304 0.000 2.073 64 R HA -0.119 4.224 4.340 0.006 0.000 0.234 64 R C 2.050 178.249 176.300 -0.168 0.000 1.134 64 R CA 1.619 57.572 56.100 -0.245 0.000 0.952 64 R CB -0.566 29.396 30.300 -0.563 0.000 0.850 64 R HN 0.611 nan 8.270 nan 0.000 0.433 65 F N 2.000 121.713 119.950 -0.395 0.000 2.069 65 F HA -0.190 4.340 4.527 0.005 0.000 0.298 65 F C 2.136 177.723 175.800 -0.355 0.000 1.113 65 F CA 1.511 59.223 58.000 -0.481 0.000 1.214 65 F CB -0.092 38.547 39.000 -0.602 0.000 0.978 65 F HN -0.205 nan 8.300 nan 0.000 0.474 66 R N 0.461 120.647 120.500 -0.523 0.000 2.096 66 R HA -0.127 4.217 4.340 0.006 0.000 0.235 66 R C 2.307 178.517 176.300 -0.150 0.000 1.127 66 R CA 1.330 57.152 56.100 -0.464 0.000 0.968 66 R CB -1.089 29.006 30.300 -0.341 0.000 0.861 66 R HN 0.240 nan 8.270 nan 0.000 0.440 67 R N 0.881 121.335 120.500 -0.076 0.000 2.081 67 R HA 0.036 4.380 4.340 0.006 0.000 0.235 67 R C 2.248 178.574 176.300 0.044 0.000 1.131 67 R CA 1.554 57.686 56.100 0.052 0.000 0.960 67 R CB -0.467 29.941 30.300 0.180 0.000 0.856 67 R HN 0.181 nan 8.270 nan 0.000 0.436 68 M N -0.068 119.528 119.600 -0.006 0.000 2.149 68 M HA -0.200 4.283 4.480 0.006 0.000 0.261 68 M C 2.108 178.392 176.300 -0.026 0.000 1.064 68 M CA 1.777 57.077 55.300 0.000 0.000 1.102 68 M CB -0.249 32.407 32.600 0.094 0.000 1.369 68 M HN 0.204 nan 8.290 nan 0.000 0.408 69 Q N -0.434 119.270 119.800 -0.159 0.000 2.437 69 Q HA -0.045 4.298 4.340 0.006 0.000 0.210 69 Q C 1.330 177.203 176.000 -0.211 0.000 0.972 69 Q CA 0.942 56.631 55.803 -0.190 0.000 0.903 69 Q CB 0.086 28.606 28.738 -0.364 0.000 0.967 69 Q HN 0.802 nan 8.270 nan 0.000 0.486 70 G N -0.814 107.894 108.800 -0.154 0.000 2.184 70 G HA2 -0.240 3.723 3.960 0.006 0.000 0.206 70 G HA3 -0.240 3.723 3.960 0.006 0.000 0.206 70 G C -0.336 174.454 174.900 -0.184 0.000 0.995 70 G CA -0.497 44.503 45.100 -0.166 0.000 0.651 70 G HN 0.235 nan 8.290 nan 0.000 0.511 71 Y N 1.902 122.140 120.300 -0.103 0.000 2.480 71 Y HA 0.395 4.948 4.550 0.006 0.000 0.338 71 Y C 1.049 176.937 175.900 -0.021 0.000 1.220 71 Y CA -0.050 58.005 58.100 -0.075 0.000 1.430 71 Y CB 0.529 38.929 38.460 -0.101 0.000 1.311 71 Y HN 0.062 nan 8.280 nan 0.000 0.575 72 E N 2.337 122.643 120.200 0.177 0.000 2.217 72 E HA 0.185 4.539 4.350 0.006 0.000 0.279 72 E C -0.949 175.861 176.600 0.350 0.000 1.068 72 E CA -0.134 56.386 56.400 0.201 0.000 0.882 72 E CB 0.938 30.697 29.700 0.099 0.000 1.039 72 E HN 0.267 nan 8.360 nan 0.000 0.418 73 V N 4.617 124.687 119.914 0.261 0.000 2.417 73 V HA 0.207 4.330 4.120 0.006 0.000 0.291 73 V C -0.284 175.770 176.094 -0.066 0.000 1.024 73 V CA -0.944 61.441 62.300 0.141 0.000 0.861 73 V CB 1.611 33.447 31.823 0.021 0.000 0.985 73 V HN 0.430 nan 8.190 nan 0.000 0.436 74 L N 5.155 126.170 121.223 -0.348 0.000 2.280 74 L HA 0.529 4.872 4.340 0.006 0.000 0.287 74 L C -0.409 176.257 176.870 -0.340 0.000 1.023 74 L CA 0.227 54.594 54.840 -0.788 0.000 0.819 74 L CB 0.542 41.503 42.059 -1.830 0.000 1.212 74 L HN 0.784 nan 8.230 nan 0.000 0.420 75 H N 6.749 125.579 119.070 -0.399 0.000 2.761 75 H HA 0.470 5.030 4.556 0.006 0.000 0.263 75 H C -2.951 172.202 175.328 -0.292 0.000 1.292 75 H CA -1.728 54.172 56.048 -0.248 0.000 1.540 75 H CB 1.693 31.328 29.762 -0.210 0.000 1.569 75 H HN 0.495 nan 8.280 nan 0.000 0.510 76 P HA 0.313 nan 4.420 nan 0.000 0.287 76 P C -0.853 175.676 177.300 -1.286 0.000 1.290 76 P CA -0.966 61.484 63.100 -1.082 0.000 0.889 76 P CB 2.680 33.353 31.700 -1.712 0.000 1.190 77 M N 0.649 119.359 119.600 -1.483 0.000 2.550 77 M HA 0.794 5.277 4.480 0.006 0.000 0.292 77 M C -0.830 174.928 176.300 -0.904 0.000 1.221 77 M CA -0.337 54.085 55.300 -1.464 0.000 0.873 77 M CB 1.806 32.962 32.600 -2.407 0.000 1.727 77 M HN 0.706 nan 8.290 nan 0.000 0.459 78 G N 1.158 109.425 108.800 -0.888 0.000 2.489 78 G HA2 0.569 4.532 3.960 0.006 0.000 0.305 78 G HA3 0.569 4.532 3.960 0.006 0.000 0.305 78 G C -2.610 171.619 174.900 -1.117 0.000 1.311 78 G CA -0.785 43.786 45.100 -0.882 0.000 0.813 78 G HN 0.712 nan 8.290 nan 0.000 0.480 79 W N 0.228 121.539 121.300 0.018 0.000 2.619 79 W HA 0.507 5.171 4.660 0.008 0.000 0.327 79 W C -0.893 175.266 176.519 -0.599 0.000 1.027 79 W CA -0.733 56.436 57.345 -0.294 0.000 1.233 79 W CB 2.160 31.491 29.460 -0.215 0.000 1.370 79 W HN 0.389 nan 8.180 nan 0.000 0.453 80 D N 2.731 122.549 120.400 -0.970 0.000 2.558 80 D HA 0.293 4.936 4.640 0.006 0.000 0.221 80 D C 0.795 176.957 176.300 -0.231 0.000 1.143 80 D CA 0.202 53.564 54.000 -1.064 0.000 1.010 80 D CB 0.560 40.377 40.800 -1.639 0.000 1.068 80 D HN 0.462 nan 8.370 nan 0.000 0.511 81 A N 2.971 125.724 122.820 -0.111 0.000 2.348 81 A HA 0.187 4.511 4.320 0.006 0.000 0.224 81 A C 0.147 177.867 177.584 0.227 0.000 1.227 81 A CA -0.160 51.914 52.037 0.061 0.000 0.885 81 A CB 0.131 19.111 19.000 -0.034 0.000 0.933 81 A HN 0.299 nan 8.150 nan 0.000 0.506 82 F N -0.689 119.245 119.950 -0.026 0.000 2.594 82 F HA 0.636 5.166 4.527 0.005 0.000 0.335 82 F C 1.030 176.812 175.800 -0.030 0.000 1.058 82 F CA -0.607 57.262 58.000 -0.218 0.000 0.981 82 F CB 1.240 40.050 39.000 -0.318 0.000 1.289 82 F HN 0.486 nan 8.300 nan 0.000 0.490 83 G N 1.799 110.645 108.800 0.077 0.000 2.593 83 G HA2 -0.248 3.715 3.960 0.006 0.000 0.237 83 G HA3 -0.248 3.715 3.960 0.006 0.000 0.237 83 G C 0.801 175.781 174.900 0.134 0.000 1.312 83 G CA -0.080 45.055 45.100 0.058 0.000 0.896 83 G HN 0.699 nan 8.290 nan 0.000 0.574 84 L N 1.214 122.488 121.223 0.084 0.000 1.989 84 L HA -0.068 4.275 4.340 0.006 0.000 0.211 84 L C 0.341 177.123 176.870 -0.147 0.000 1.071 84 L CA 2.530 57.374 54.840 0.006 0.000 0.749 84 L CB -1.338 40.772 42.059 0.086 0.000 0.890 84 L HN 0.444 nan 8.230 nan 0.000 0.431 85 P HA -0.175 nan 4.420 nan 0.000 0.214 85 P C 1.485 178.697 177.300 -0.147 0.000 1.163 85 P CA 1.856 64.712 63.100 -0.407 0.000 0.883 85 P CB -0.036 31.129 31.700 -0.892 0.000 0.788 86 A N -0.225 122.605 122.820 0.018 0.000 1.877 86 A HA -0.263 4.060 4.320 0.006 0.000 0.216 86 A C 2.353 179.887 177.584 -0.082 0.000 1.186 86 A CA 1.968 54.083 52.037 0.130 0.000 0.620 86 A CB -1.394 17.821 19.000 0.358 0.000 0.822 86 A HN 0.196 nan 8.150 nan 0.000 0.443 87 E N -0.432 119.755 120.200 -0.022 0.000 2.046 87 E HA -0.195 4.158 4.350 0.006 0.000 0.190 87 E C 1.812 178.273 176.600 -0.232 0.000 0.982 87 E CA 1.056 57.359 56.400 -0.161 0.000 0.800 87 E CB -0.126 29.596 29.700 0.036 0.000 0.756 87 E HN 0.533 nan 8.360 nan 0.000 0.449 88 N N 0.702 119.289 118.700 -0.188 0.000 2.094 88 N HA -0.187 4.556 4.740 0.006 0.000 0.191 88 N C 1.591 176.919 175.510 -0.303 0.000 1.023 88 N CA 1.467 54.392 53.050 -0.209 0.000 0.857 88 N CB -0.507 37.862 38.487 -0.197 0.000 1.013 88 N HN 0.250 nan 8.380 nan 0.000 0.426 89 A N 0.746 123.345 122.820 -0.368 0.000 1.873 89 A HA 0.049 4.372 4.320 0.006 0.000 0.215 89 A C 2.365 179.350 177.584 -0.998 0.000 1.186 89 A CA 2.008 53.743 52.037 -0.503 0.000 0.616 89 A CB -1.018 17.803 19.000 -0.298 0.000 0.823 89 A HN 0.316 nan 8.150 nan 0.000 0.442 90 A N -0.633 121.433 122.820 -1.257 0.000 1.883 90 A HA -0.067 4.257 4.320 0.006 0.000 0.217 90 A C 2.020 179.303 177.584 -0.502 0.000 1.186 90 A CA 1.846 53.232 52.037 -1.084 0.000 0.624 90 A CB -0.612 17.999 19.000 -0.648 0.000 0.822 90 A HN 0.396 nan 8.150 nan 0.000 0.444 91 L N -0.005 120.982 121.223 -0.394 0.000 2.083 91 L HA -0.121 4.222 4.340 0.006 0.000 0.209 91 L C 2.363 179.081 176.870 -0.254 0.000 1.083 91 L CA 2.077 56.763 54.840 -0.257 0.000 0.752 91 L CB -0.808 41.127 42.059 -0.207 0.000 0.899 91 L HN 0.466 nan 8.230 nan 0.000 0.433 92 K N -0.912 119.283 120.400 -0.342 0.000 2.152 92 K HA -0.178 4.145 4.320 0.006 0.000 0.206 92 K C 1.130 177.389 176.600 -0.568 0.000 1.048 92 K CA 1.412 57.424 56.287 -0.458 0.000 0.933 92 K CB -0.070 32.072 32.500 -0.597 0.000 0.721 92 K HN 0.267 nan 8.250 nan 0.000 0.447 93 F N 0.131 119.941 119.950 -0.233 0.000 2.684 93 F HA 0.256 4.784 4.527 0.001 0.000 0.298 93 F C 1.060 176.815 175.800 -0.075 0.000 1.120 93 F CA 0.119 58.049 58.000 -0.116 0.000 1.332 93 F CB 0.817 39.784 39.000 -0.055 0.000 0.986 93 F HN 0.130 nan 8.300 nan 0.000 0.524 94 G N 1.290 110.088 108.800 -0.003 0.000 2.321 94 G HA2 -0.272 3.691 3.960 0.006 0.000 0.287 94 G HA3 -0.272 3.691 3.960 0.006 0.000 0.287 94 G C -0.090 174.831 174.900 0.035 0.000 1.018 94 G CA 0.364 45.463 45.100 -0.001 0.000 0.855 94 G HN 0.226 nan 8.290 nan 0.000 0.507 95 V N 0.411 120.346 119.914 0.034 0.000 2.630 95 V HA 0.410 4.533 4.120 0.006 0.000 0.305 95 V C 0.895 177.003 176.094 0.024 0.000 1.046 95 V CA -1.436 60.919 62.300 0.092 0.000 0.934 95 V CB 1.817 33.787 31.823 0.244 0.000 1.003 95 V HN 0.455 nan 8.190 nan 0.000 0.451 96 H N 5.567 124.626 119.070 -0.018 0.000 2.964 96 H HA 0.080 4.638 4.556 0.004 0.000 0.328 96 H C -1.822 173.424 175.328 -0.136 0.000 1.030 96 H CA -1.152 54.852 56.048 -0.074 0.000 1.445 96 H CB 1.872 31.610 29.762 -0.040 0.000 1.449 96 H HN 0.356 nan 8.280 nan 0.000 0.581 97 P HA -0.200 nan 4.420 nan 0.000 0.216 97 P C 1.489 178.464 177.300 -0.541 0.000 1.154 97 P CA 1.860 64.479 63.100 -0.802 0.000 0.865 97 P CB 0.192 30.845 31.700 -1.746 0.000 0.789 98 K N -0.575 119.691 120.400 -0.224 0.000 2.057 98 K HA -0.156 4.167 4.320 0.006 0.000 0.206 98 K C 1.623 178.406 176.600 0.304 0.000 1.050 98 K CA 1.630 58.035 56.287 0.197 0.000 0.935 98 K CB -0.394 32.355 32.500 0.416 0.000 0.715 98 K HN 0.002 nan 8.250 nan 0.000 0.439 99 D N 0.177 120.719 120.400 0.238 0.000 2.097 99 D HA -0.225 4.418 4.640 0.006 0.000 0.197 99 D C 1.585 177.975 176.300 0.150 0.000 0.984 99 D CA 0.796 54.893 54.000 0.162 0.000 0.826 99 D CB -0.487 40.384 40.800 0.118 0.000 0.973 99 D HN 0.428 nan 8.370 nan 0.000 0.460 100 W N 2.038 123.322 121.300 -0.028 0.000 2.318 100 W HA -0.229 4.432 4.660 0.002 0.000 0.313 100 W C 1.764 178.227 176.519 -0.094 0.000 1.221 100 W CA 1.884 59.184 57.345 -0.075 0.000 1.266 100 W CB -0.527 28.871 29.460 -0.104 0.000 1.150 100 W HN -0.045 nan 8.180 nan 0.000 0.496 101 T N 0.388 115.009 114.554 0.112 0.000 2.708 101 T HA -0.254 4.099 4.350 0.006 0.000 0.266 101 T C 1.480 175.990 174.700 -0.317 0.000 1.037 101 T CA 2.056 64.117 62.100 -0.064 0.000 1.146 101 T CB -0.822 68.067 68.868 0.035 0.000 0.865 101 T HN 0.141 nan 8.240 nan 0.000 0.435 102 Y N 1.086 121.315 120.300 -0.119 0.000 2.373 102 Y HA 0.163 4.715 4.550 0.004 0.000 0.293 102 Y C 2.576 178.314 175.900 -0.270 0.000 1.129 102 Y CA 0.429 58.417 58.100 -0.188 0.000 1.226 102 Y CB -0.498 37.900 38.460 -0.103 0.000 1.000 102 Y HN 0.192 nan 8.280 nan 0.000 0.549 103 A N 0.165 122.883 122.820 -0.170 0.000 1.898 103 A HA -0.216 4.108 4.320 0.006 0.000 0.216 103 A C 1.985 179.327 177.584 -0.404 0.000 1.181 103 A CA 1.982 53.856 52.037 -0.272 0.000 0.620 103 A CB -0.827 17.992 19.000 -0.302 0.000 0.819 103 A HN 0.464 nan 8.150 nan 0.000 0.442 104 N N -0.258 118.112 118.700 -0.550 0.000 2.166 104 N HA -0.056 4.687 4.740 0.006 0.000 0.186 104 N C 1.512 176.709 175.510 -0.523 0.000 1.019 104 N CA 1.365 54.082 53.050 -0.556 0.000 0.856 104 N CB -0.312 37.801 38.487 -0.622 0.000 0.993 104 N HN 0.527 nan 8.380 nan 0.000 0.426 105 I N 0.160 120.343 120.570 -0.646 0.000 2.179 105 I HA -0.273 3.901 4.170 0.006 0.000 0.242 105 I C 2.502 178.187 176.117 -0.721 0.000 1.088 105 I CA 0.912 61.594 61.300 -1.031 0.000 1.357 105 I CB -0.207 37.070 38.000 -1.205 0.000 1.051 105 I HN 0.180 nan 8.210 nan 0.000 0.409 106 R N 0.794 121.027 120.500 -0.444 0.000 2.083 106 R HA -0.244 4.099 4.340 0.006 0.000 0.237 106 R C 2.308 178.462 176.300 -0.243 0.000 1.137 106 R CA 1.846 57.772 56.100 -0.289 0.000 0.951 106 R CB -0.135 30.041 30.300 -0.205 0.000 0.851 106 R HN 0.414 nan 8.270 nan 0.000 0.434 107 Q N -0.517 119.130 119.800 -0.254 0.000 2.079 107 Q HA -0.094 4.249 4.340 0.006 0.000 0.200 107 Q C 2.136 178.059 176.000 -0.128 0.000 0.974 107 Q CA 1.711 57.405 55.803 -0.181 0.000 0.840 107 Q CB -0.101 28.512 28.738 -0.208 0.000 0.898 107 Q HN 0.444 nan 8.270 nan 0.000 0.430 108 A N 1.321 124.034 122.820 -0.179 0.000 1.902 108 A HA -0.221 4.102 4.320 0.006 0.000 0.217 108 A C 1.901 179.554 177.584 0.115 0.000 1.181 108 A CA 1.480 53.500 52.037 -0.029 0.000 0.623 108 A CB -0.332 18.643 19.000 -0.040 0.000 0.818 108 A HN 0.171 nan 8.150 nan 0.000 0.443 109 K N -0.787 119.625 120.400 0.021 0.000 2.044 109 K HA -0.227 4.096 4.320 0.006 0.000 0.210 109 K C 2.138 178.776 176.600 0.063 0.000 1.049 109 K CA 1.759 58.086 56.287 0.068 0.000 0.927 109 K CB -0.121 32.271 32.500 -0.180 0.000 0.713 109 K HN 0.488 nan 8.250 nan 0.000 0.443 110 E N 0.652 120.855 120.200 0.005 0.000 2.106 110 E HA -0.107 4.246 4.350 0.006 0.000 0.192 110 E C 1.820 178.480 176.600 0.100 0.000 0.984 110 E CA 1.481 57.901 56.400 0.034 0.000 0.806 110 E CB -0.028 29.668 29.700 -0.006 0.000 0.750 110 E HN 0.096 nan 8.360 nan 0.000 0.458 111 S N 0.009 115.773 115.700 0.107 0.000 2.368 111 S HA -0.125 4.349 4.470 0.006 0.000 0.225 111 S C 1.904 176.634 174.600 0.216 0.000 1.030 111 S CA 1.200 59.487 58.200 0.146 0.000 0.999 111 S CB -0.312 62.965 63.200 0.129 0.000 0.844 111 S HN 0.249 nan 8.310 nan 0.000 0.459 112 L N 0.959 122.347 121.223 0.275 0.000 2.027 112 L HA -0.079 4.264 4.340 0.006 0.000 0.206 112 L C 2.713 179.786 176.870 0.338 0.000 1.074 112 L CA 1.377 56.433 54.840 0.361 0.000 0.745 112 L CB -0.461 41.908 42.059 0.517 0.000 0.898 112 L HN 0.239 nan 8.230 nan 0.000 0.433 113 R N 0.696 121.380 120.500 0.307 0.000 2.091 113 R HA -0.166 4.177 4.340 0.006 0.000 0.238 113 R C 2.267 178.738 176.300 0.285 0.000 1.136 113 R CA 1.452 57.726 56.100 0.290 0.000 0.959 113 R CB -0.263 30.155 30.300 0.197 0.000 0.856 113 R HN 0.305 nan 8.270 nan 0.000 0.437 114 L N 0.178 121.539 121.223 0.230 0.000 2.275 114 L HA -0.074 4.270 4.340 0.006 0.000 0.215 114 L C 1.935 178.947 176.870 0.238 0.000 1.119 114 L CA 0.512 55.476 54.840 0.207 0.000 0.790 114 L CB -0.093 42.061 42.059 0.159 0.000 0.919 114 L HN 0.299 nan 8.230 nan 0.000 0.443 115 M N -0.663 119.100 119.600 0.272 0.000 2.561 115 M HA 0.167 4.650 4.480 0.006 0.000 0.238 115 M C 1.393 177.924 176.300 0.385 0.000 1.131 115 M CA 0.634 56.109 55.300 0.293 0.000 1.046 115 M CB -0.465 32.285 32.600 0.250 0.000 1.532 115 M HN 0.363 nan 8.290 nan 0.000 0.497 116 G N 1.885 110.967 108.800 0.470 0.000 2.160 116 G HA2 -0.243 3.720 3.960 0.006 0.000 0.251 116 G HA3 -0.243 3.720 3.960 0.006 0.000 0.251 116 G C 0.138 175.142 174.900 0.172 0.000 1.008 116 G CA -0.124 45.276 45.100 0.499 0.000 0.724 116 G HN 0.487 nan 8.290 nan 0.000 0.514 117 I N 0.364 121.033 120.570 0.165 0.000 2.474 117 I HA 0.446 4.620 4.170 0.006 0.000 0.287 117 I C 0.699 176.792 176.117 -0.040 0.000 1.048 117 I CA -0.352 60.939 61.300 -0.015 0.000 1.383 117 I CB 1.047 39.061 38.000 0.022 0.000 1.412 117 I HN -0.028 nan 8.210 nan 0.000 0.531 118 L N 7.079 128.160 121.223 -0.238 0.000 2.349 118 L HA 0.487 4.830 4.340 0.006 0.000 0.278 118 L C -1.088 175.540 176.870 -0.404 0.000 0.996 118 L CA -0.605 54.154 54.840 -0.135 0.000 0.825 118 L CB 1.224 43.261 42.059 -0.038 0.000 1.243 118 L HN 0.430 nan 8.230 nan 0.000 0.412 119 Y N 0.144 120.318 120.300 -0.210 0.000 2.598 119 Y HA 0.288 4.841 4.550 0.006 0.000 0.340 119 Y C 0.139 175.731 175.900 -0.513 0.000 1.038 119 Y CA -1.017 56.706 58.100 -0.628 0.000 1.100 119 Y CB 1.246 38.887 38.460 -1.365 0.000 1.281 119 Y HN 0.411 nan 8.280 nan 0.000 0.488 120 D N 0.722 120.918 120.400 -0.341 0.000 2.435 120 D HA 0.020 4.664 4.640 0.006 0.000 0.230 120 D C -0.137 175.996 176.300 -0.278 0.000 1.215 120 D CA -0.054 53.797 54.000 -0.248 0.000 0.947 120 D CB 0.018 40.660 40.800 -0.264 0.000 1.048 120 D HN 0.535 nan 8.370 nan 0.000 0.512 121 W N 1.812 123.103 121.300 -0.014 0.000 2.699 121 W HA -0.036 4.628 4.660 0.006 0.000 0.249 121 W C 1.559 178.092 176.519 0.024 0.000 1.280 121 W CA -0.265 57.084 57.345 0.005 0.000 1.345 121 W CB 0.358 29.854 29.460 0.060 0.000 1.128 121 W HN 0.327 nan 8.180 nan 0.000 0.642 122 D N -0.144 120.370 120.400 0.190 0.000 2.309 122 D HA -0.109 4.534 4.640 0.006 0.000 0.212 122 D C 1.517 177.898 176.300 0.135 0.000 0.968 122 D CA 1.104 55.214 54.000 0.183 0.000 0.882 122 D CB -0.174 40.705 40.800 0.131 0.000 0.918 122 D HN 0.285 nan 8.370 nan 0.000 0.503 123 R N 0.397 120.887 120.500 -0.017 0.000 2.468 123 R HA 0.133 4.476 4.340 0.006 0.000 0.280 123 R C 0.376 176.675 176.300 -0.001 0.000 0.963 123 R CA -0.278 55.758 56.100 -0.106 0.000 1.083 123 R CB 0.582 30.726 30.300 -0.260 0.000 1.200 123 R HN 0.152 nan 8.270 nan 0.000 0.541 124 E N 2.021 122.275 120.200 0.089 0.000 2.529 124 E HA -0.007 4.347 4.350 0.006 0.000 0.259 124 E C -0.460 176.250 176.600 0.183 0.000 0.966 124 E CA 0.016 56.520 56.400 0.172 0.000 0.937 124 E CB 0.696 30.634 29.700 0.397 0.000 0.923 124 E HN 0.000 nan 8.360 nan 0.000 0.468 125 V N 1.520 121.513 119.914 0.132 0.000 2.715 125 V HA 0.664 4.787 4.120 0.006 0.000 0.310 125 V C -0.479 175.652 176.094 0.062 0.000 1.054 125 V CA -0.632 61.704 62.300 0.059 0.000 0.928 125 V CB 2.189 33.931 31.823 -0.136 0.000 1.007 125 V HN 0.601 nan 8.190 nan 0.000 0.437 126 T N 2.562 117.154 114.554 0.063 0.000 2.930 126 T HA 0.342 4.695 4.350 0.006 0.000 0.313 126 T C 0.990 175.604 174.700 -0.143 0.000 1.019 126 T CA 0.310 62.450 62.100 0.067 0.000 1.004 126 T CB 1.146 70.129 68.868 0.191 0.000 0.987 126 T HN 1.102 nan 8.240 nan 0.000 0.456 127 T N -1.797 112.562 114.554 -0.326 0.000 3.035 127 T HA -0.096 4.257 4.350 0.006 0.000 0.268 127 T C 2.235 176.700 174.700 -0.392 0.000 1.109 127 T CA 0.921 62.719 62.100 -0.504 0.000 1.119 127 T CB -0.765 67.819 68.868 -0.474 0.000 0.900 127 T HN 0.814 nan 8.240 nan 0.000 0.503 128 C N 0.816 119.715 119.300 -0.669 0.000 2.539 128 C HA 0.341 4.804 4.460 0.006 0.000 0.271 128 C C 0.794 175.444 174.990 -0.566 0.000 1.412 128 C CA -1.368 56.763 59.018 -1.478 0.000 1.729 128 C CB -1.538 25.488 27.740 -1.191 0.000 1.739 128 C HN 0.471 nan 8.230 nan 0.000 0.570 129 E N 2.557 122.658 120.200 -0.165 0.000 2.301 129 E HA 0.199 4.552 4.350 0.006 0.000 0.275 129 E C -1.415 175.001 176.600 -0.306 0.000 1.030 129 E CA -1.803 54.562 56.400 -0.058 0.000 0.852 129 E CB 1.196 30.930 29.700 0.056 0.000 1.060 129 E HN 0.185 nan 8.360 nan 0.000 0.401 130 P HA -0.154 nan 4.420 nan 0.000 0.222 130 P C 0.393 177.347 177.300 -0.576 0.000 1.147 130 P CA 1.093 63.448 63.100 -1.241 0.000 0.790 130 P CB 0.368 31.621 31.700 -0.744 0.000 0.780 131 E N -1.478 118.593 120.200 -0.216 0.000 2.265 131 E HA -0.173 4.180 4.350 0.006 0.000 0.196 131 E C 1.860 178.555 176.600 0.159 0.000 0.996 131 E CA 0.979 57.374 56.400 -0.009 0.000 0.832 131 E CB -0.782 28.984 29.700 0.110 0.000 0.756 131 E HN 0.397 nan 8.360 nan 0.000 0.491 132 Y N -0.749 119.571 120.300 0.034 0.000 2.266 132 Y HA -0.087 4.467 4.550 0.006 0.000 0.294 132 Y C 1.945 178.026 175.900 0.301 0.000 1.127 132 Y CA 0.982 59.224 58.100 0.236 0.000 1.140 132 Y CB -0.193 38.354 38.460 0.146 0.000 1.071 132 Y HN 0.187 nan 8.280 nan 0.000 0.525 133 Y N 0.810 121.296 120.300 0.309 0.000 2.509 133 Y HA -0.013 4.540 4.550 0.005 0.000 0.293 133 Y C 2.234 178.163 175.900 0.047 0.000 1.133 133 Y CA 0.756 59.019 58.100 0.272 0.000 1.283 133 Y CB -0.782 37.865 38.460 0.312 0.000 1.001 133 Y HN 0.067 nan 8.280 nan 0.000 0.555 134 R N 0.234 120.634 120.500 -0.166 0.000 2.127 134 R HA -0.198 4.145 4.340 0.006 0.000 0.238 134 R C 1.151 177.195 176.300 -0.427 0.000 1.134 134 R CA 2.029 57.895 56.100 -0.391 0.000 0.975 134 R CB -1.213 28.643 30.300 -0.741 0.000 0.865 134 R HN 0.552 nan 8.270 nan 0.000 0.447 135 W N 0.997 122.357 121.300 0.100 0.000 2.576 135 W HA 0.143 4.807 4.660 0.006 0.000 0.270 135 W C 1.820 178.403 176.519 0.106 0.000 1.255 135 W CA -0.263 57.093 57.345 0.019 0.000 1.314 135 W CB -0.178 29.219 29.460 -0.105 0.000 1.101 135 W HN 0.093 nan 8.180 nan 0.000 0.595 136 N N 0.816 119.786 118.700 0.449 0.000 2.069 136 N HA -0.194 4.550 4.740 0.006 0.000 0.191 136 N C 1.562 177.219 175.510 0.245 0.000 1.031 136 N CA 1.613 54.962 53.050 0.498 0.000 0.852 136 N CB -0.738 37.972 38.487 0.372 0.000 1.018 136 N HN 0.378 nan 8.380 nan 0.000 0.423 137 Q N -1.026 118.851 119.800 0.128 0.000 2.119 137 Q HA -0.132 4.211 4.340 0.006 0.000 0.201 137 Q C 1.897 178.004 176.000 0.178 0.000 0.972 137 Q CA 1.062 56.880 55.803 0.026 0.000 0.847 137 Q CB -0.218 28.495 28.738 -0.042 0.000 0.903 137 Q HN 0.483 nan 8.270 nan 0.000 0.433 138 W N 1.307 122.632 121.300 0.042 0.000 2.335 138 W HA -0.194 4.469 4.660 0.005 0.000 0.311 138 W C 1.655 178.250 176.519 0.126 0.000 1.213 138 W CA 1.409 58.813 57.345 0.100 0.000 1.274 138 W CB -0.099 29.502 29.460 0.235 0.000 1.148 138 W HN 0.014 nan 8.180 nan 0.000 0.498 139 I N -0.416 120.485 120.570 0.551 0.000 2.226 139 I HA -0.310 3.863 4.170 0.006 0.000 0.245 139 I C 2.347 178.597 176.117 0.222 0.000 1.100 139 I CA 1.480 63.000 61.300 0.367 0.000 1.374 139 I CB -0.854 37.314 38.000 0.280 0.000 1.057 139 I HN -0.008 nan 8.210 nan 0.000 0.413 140 F N 1.617 121.674 119.950 0.178 0.000 2.095 140 F HA -0.251 4.279 4.527 0.006 0.000 0.298 140 F C 2.253 178.027 175.800 -0.044 0.000 1.104 140 F CA 1.742 59.766 58.000 0.039 0.000 1.232 140 F CB -0.243 38.650 39.000 -0.178 0.000 0.987 140 F HN -0.107 nan 8.300 nan 0.000 0.475 141 L N -0.065 121.253 121.223 0.159 0.000 2.046 141 L HA -0.247 4.097 4.340 0.006 0.000 0.208 141 L C 2.546 179.411 176.870 -0.009 0.000 1.077 141 L CA 1.223 56.090 54.840 0.044 0.000 0.747 141 L CB -0.735 41.282 42.059 -0.071 0.000 0.896 141 L HN 0.031 nan 8.230 nan 0.000 0.432 142 K N -0.146 120.171 120.400 -0.138 0.000 2.057 142 K HA -0.132 4.191 4.320 0.006 0.000 0.207 142 K C 2.050 178.681 176.600 0.051 0.000 1.049 142 K CA 1.491 57.737 56.287 -0.069 0.000 0.931 142 K CB -0.338 32.095 32.500 -0.111 0.000 0.714 142 K HN 0.357 nan 8.250 nan 0.000 0.440 143 M N -0.429 119.063 119.600 -0.180 0.000 2.117 143 M HA -0.181 4.303 4.480 0.006 0.000 0.262 143 M C 2.136 178.343 176.300 -0.154 0.000 1.065 143 M CA 1.469 56.522 55.300 -0.412 0.000 1.114 143 M CB -0.412 31.808 32.600 -0.634 0.000 1.361 143 M HN 0.337 nan 8.290 nan 0.000 0.408 144 W N 2.026 123.152 121.300 -0.289 0.000 2.333 144 W HA -0.241 4.422 4.660 0.006 0.000 0.316 144 W C 1.556 178.049 176.519 -0.043 0.000 1.215 144 W CA 1.967 59.233 57.345 -0.132 0.000 1.278 144 W CB -0.492 28.916 29.460 -0.086 0.000 1.154 144 W HN 0.287 nan 8.180 nan 0.000 0.486 145 E N 0.037 120.293 120.200 0.094 0.000 2.118 145 E HA -0.205 4.148 4.350 0.006 0.000 0.195 145 E C 1.716 178.285 176.600 -0.053 0.000 0.992 145 E CA 1.145 57.547 56.400 0.003 0.000 0.804 145 E CB -0.191 29.548 29.700 0.065 0.000 0.741 145 E HN 0.055 nan 8.360 nan 0.000 0.458 146 K N -0.383 120.018 120.400 0.002 0.000 2.446 146 K HA 0.121 4.444 4.320 0.006 0.000 0.203 146 K C 0.665 177.270 176.600 0.009 0.000 1.027 146 K CA 0.548 56.866 56.287 0.051 0.000 1.166 146 K CB 0.980 33.621 32.500 0.235 0.000 0.869 146 K HN 0.252 nan 8.250 nan 0.000 0.504 147 G N 1.576 110.327 108.800 -0.082 0.000 2.160 147 G HA2 -0.252 3.711 3.960 0.006 0.000 0.251 147 G HA3 -0.252 3.711 3.960 0.006 0.000 0.251 147 G C 0.534 175.444 174.900 0.017 0.000 1.008 147 G CA 0.207 45.261 45.100 -0.078 0.000 0.724 147 G HN 0.381 nan 8.290 nan 0.000 0.514 148 L N -0.814 120.417 121.223 0.014 0.000 2.766 148 L HA 0.601 4.944 4.340 0.006 0.000 0.242 148 L C 1.226 178.131 176.870 0.058 0.000 1.136 148 L CA 0.607 55.489 54.840 0.070 0.000 0.933 148 L CB 0.537 42.596 42.059 0.001 0.000 1.241 148 L HN 0.470 nan 8.230 nan 0.000 0.522 149 A N 0.365 123.211 122.820 0.044 0.000 2.335 149 A HA 0.677 5.000 4.320 0.006 0.000 0.304 149 A C -1.351 176.498 177.584 0.442 0.000 1.118 149 A CA -0.324 51.766 52.037 0.087 0.000 0.757 149 A CB 0.648 19.441 19.000 -0.344 0.000 1.188 149 A HN 0.238 nan 8.150 nan 0.000 0.460 150 Y N -0.203 120.347 120.300 0.416 0.000 2.588 150 Y HA 0.818 5.372 4.550 0.006 0.000 0.343 150 Y C -0.569 175.396 175.900 0.109 0.000 1.065 150 Y CA -1.337 56.925 58.100 0.270 0.000 1.038 150 Y CB 1.232 39.739 38.460 0.078 0.000 1.297 150 Y HN 0.589 nan 8.280 nan 0.000 0.467 151 R N 1.657 122.129 120.500 -0.046 0.000 2.460 151 R HA 0.893 5.237 4.340 0.006 0.000 0.303 151 R C -1.276 175.091 176.300 0.112 0.000 0.968 151 R CA -0.877 55.051 56.100 -0.286 0.000 0.889 151 R CB 1.755 31.650 30.300 -0.675 0.000 1.123 151 R HN 0.961 nan 8.270 nan 0.000 0.455 152 A N 2.677 125.616 122.820 0.198 0.000 2.520 152 A HA 0.388 4.712 4.320 0.006 0.000 0.298 152 A C -1.345 176.341 177.584 0.171 0.000 1.051 152 A CA -0.804 51.342 52.037 0.181 0.000 0.690 152 A CB 1.567 20.683 19.000 0.192 0.000 1.281 152 A HN 0.647 nan 8.150 nan 0.000 0.402 153 K N 0.837 121.291 120.400 0.090 0.000 2.174 153 K HA 0.648 4.971 4.320 0.006 0.000 0.275 153 K C 0.295 176.946 176.600 0.086 0.000 1.015 153 K CA 0.668 57.006 56.287 0.084 0.000 0.933 153 K CB 1.122 33.648 32.500 0.044 0.000 1.025 153 K HN 1.456 nan 8.250 nan 0.000 0.463 154 G N 2.026 110.891 108.800 0.109 0.000 2.320 154 G HA2 0.148 4.111 3.960 0.006 0.000 0.296 154 G HA3 0.148 4.111 3.960 0.006 0.000 0.296 154 G C -1.612 173.362 174.900 0.123 0.000 1.306 154 G CA -1.048 44.110 45.100 0.096 0.000 0.836 154 G HN 0.495 nan 8.290 nan 0.000 0.517 155 L N 0.827 122.118 121.223 0.113 0.000 2.367 155 L HA 0.526 4.869 4.340 0.006 0.000 0.275 155 L C 0.637 177.613 176.870 0.177 0.000 1.129 155 L CA -0.553 54.361 54.840 0.123 0.000 0.839 155 L CB 0.743 42.863 42.059 0.101 0.000 1.133 155 L HN 0.640 nan 8.230 nan 0.000 0.453 156 V N 0.364 120.390 119.914 0.186 0.000 2.962 156 V HA 0.489 4.612 4.120 0.006 0.000 0.313 156 V C -0.414 175.823 176.094 0.238 0.000 1.099 156 V CA -1.123 61.316 62.300 0.232 0.000 0.971 156 V CB 2.024 33.994 31.823 0.245 0.000 1.028 156 V HN 0.718 nan 8.190 nan 0.000 0.430 157 N N 3.020 121.872 118.700 0.252 0.000 2.514 157 N HA 0.358 5.101 4.740 0.006 0.000 0.277 157 N C -1.108 174.603 175.510 0.335 0.000 1.126 157 N CA -0.342 52.866 53.050 0.263 0.000 0.978 157 N CB 0.921 39.544 38.487 0.226 0.000 1.106 157 N HN 0.904 nan 8.380 nan 0.000 0.461 158 W N 4.352 125.723 121.300 0.118 0.000 2.683 158 W HA 0.450 5.113 4.660 0.005 0.000 0.329 158 W C -1.263 175.322 176.519 0.110 0.000 1.037 158 W CA -1.047 56.362 57.345 0.107 0.000 1.232 158 W CB 1.277 30.786 29.460 0.083 0.000 1.390 158 W HN 0.412 nan 8.180 nan 0.000 0.465 159 C N 10.223 129.266 119.300 -0.429 0.000 2.265 159 C HA 0.334 4.797 4.460 0.006 0.000 0.332 159 C C -0.502 174.115 174.990 -0.622 0.000 1.248 159 C CA -2.161 56.660 59.018 -0.328 0.000 1.727 159 C CB 0.437 28.097 27.740 -0.134 0.000 2.348 159 C HN 0.538 nan 8.230 nan 0.000 0.519 160 P HA -0.065 nan 4.420 nan 0.000 0.226 160 P C 1.039 178.250 177.300 -0.148 0.000 1.153 160 P CA 1.335 64.399 63.100 -0.061 0.000 0.777 160 P CB 0.139 31.924 31.700 0.142 0.000 0.794 161 K N -0.685 119.556 120.400 -0.265 0.000 2.098 161 K HA 0.018 4.341 4.320 0.006 0.000 0.203 161 K C 2.076 178.490 176.600 -0.311 0.000 1.051 161 K CA 1.130 57.181 56.287 -0.393 0.000 0.957 161 K CB -0.457 31.527 32.500 -0.860 0.000 0.738 161 K HN 0.124 nan 8.250 nan 0.000 0.447 162 C N 1.056 120.216 119.300 -0.233 0.000 2.448 162 C HA 0.030 4.493 4.460 0.006 0.000 0.280 162 C C 0.521 175.366 174.990 -0.241 0.000 1.398 162 C CA -0.029 58.910 59.018 -0.132 0.000 1.774 162 C CB -0.467 27.241 27.740 -0.054 0.000 1.888 162 C HN 0.517 nan 8.230 nan 0.000 0.519 163 Q N 0.344 119.888 119.800 -0.427 0.000 2.468 163 Q HA -0.187 4.156 4.340 0.006 0.000 0.289 163 Q C -0.007 175.577 176.000 -0.694 0.000 1.299 163 Q CA 1.603 57.121 55.803 -0.476 0.000 0.838 163 Q CB -1.874 26.838 28.738 -0.042 0.000 1.195 163 Q HN 0.730 nan 8.270 nan 0.000 0.456 164 T N -1.990 111.913 114.554 -1.085 0.000 2.853 164 T HA 0.576 4.929 4.350 0.006 0.000 0.311 164 T C -0.331 174.073 174.700 -0.494 0.000 1.307 164 T CA -0.113 61.632 62.100 -0.592 0.000 1.019 164 T CB 1.768 70.546 68.868 -0.149 0.000 1.264 164 T HN 0.337 nan 8.240 nan 0.000 0.497 165 V N 2.272 122.240 119.914 0.090 0.000 3.096 165 V HA 0.665 4.789 4.120 0.006 0.000 0.306 165 V C -0.426 175.751 176.094 0.139 0.000 1.088 165 V CA -0.161 62.281 62.300 0.236 0.000 1.129 165 V CB 0.052 32.047 31.823 0.286 0.000 1.014 165 V HN 0.790 nan 8.190 nan 0.000 0.486 166 L N 2.500 123.831 121.223 0.178 0.000 2.354 166 L HA 0.811 5.154 4.340 0.006 0.000 0.264 166 L C 0.499 177.496 176.870 0.212 0.000 1.008 166 L CA -0.780 54.174 54.840 0.191 0.000 0.819 166 L CB 1.922 44.100 42.059 0.200 0.000 1.339 166 L HN 1.000 nan 8.230 nan 0.000 0.420 167 A N 1.222 124.180 122.820 0.231 0.000 2.406 167 A HA 0.173 4.496 4.320 0.006 0.000 0.243 167 A C 0.745 178.479 177.584 0.250 0.000 1.082 167 A CA 0.012 52.226 52.037 0.296 0.000 0.786 167 A CB -0.099 19.142 19.000 0.402 0.000 1.029 167 A HN 0.957 nan 8.150 nan 0.000 0.495 168 N N 0.222 119.106 118.700 0.306 0.000 2.137 168 N HA -0.198 4.545 4.740 0.006 0.000 0.190 168 N C 0.977 176.718 175.510 0.383 0.000 1.017 168 N CA 1.861 55.111 53.050 0.333 0.000 0.859 168 N CB -0.123 38.572 38.487 0.346 0.000 1.002 168 N HN 0.768 nan 8.380 nan 0.000 0.428 169 E N 0.694 121.052 120.200 0.263 0.000 2.268 169 E HA -0.097 4.256 4.350 0.006 0.000 0.195 169 E C 1.141 177.607 176.600 -0.223 0.000 0.995 169 E CA 0.734 57.051 56.400 -0.139 0.000 0.836 169 E CB 0.018 29.434 29.700 -0.474 0.000 0.763 169 E HN 0.441 nan 8.360 nan 0.000 0.491 170 Q N -0.053 119.670 119.800 -0.129 0.000 2.365 170 Q HA 0.107 4.450 4.340 0.006 0.000 0.203 170 Q C -0.564 175.495 176.000 0.098 0.000 0.929 170 Q CA -0.018 55.660 55.803 -0.208 0.000 0.948 170 Q CB 0.798 29.323 28.738 -0.355 0.000 1.043 170 Q HN 0.045 nan 8.270 nan 0.000 0.505 171 V N 1.410 121.405 119.914 0.135 0.000 2.350 171 V HA 0.242 4.366 4.120 0.006 0.000 0.276 171 V C -0.286 175.906 176.094 0.163 0.000 1.028 171 V CA -0.561 61.849 62.300 0.184 0.000 0.860 171 V CB 1.621 33.563 31.823 0.198 0.000 0.990 171 V HN -0.156 nan 8.190 nan 0.000 0.453 172 V N 4.029 124.036 119.914 0.154 0.000 2.376 172 V HA 0.409 4.532 4.120 0.006 0.000 0.287 172 V C 0.522 176.682 176.094 0.110 0.000 1.015 172 V CA -0.635 61.735 62.300 0.118 0.000 0.834 172 V CB 1.014 32.903 31.823 0.111 0.000 1.001 172 V HN 1.016 nan 8.190 nan 0.000 0.428 173 E N 3.646 123.910 120.200 0.106 0.000 2.238 173 E HA -0.306 4.047 4.350 0.006 0.000 0.219 173 E C 1.338 177.994 176.600 0.094 0.000 1.275 173 E CA 0.687 57.142 56.400 0.092 0.000 0.714 173 E CB -0.986 28.755 29.700 0.069 0.000 1.154 173 E HN 1.489 nan 8.360 nan 0.000 0.363 174 G N -0.395 108.472 108.800 0.112 0.000 2.184 174 G HA2 -0.336 3.627 3.960 0.006 0.000 0.264 174 G HA3 -0.336 3.627 3.960 0.006 0.000 0.264 174 G C 0.163 175.132 174.900 0.115 0.000 0.975 174 G CA 0.699 45.866 45.100 0.111 0.000 0.642 174 G HN 0.198 nan 8.290 nan 0.000 0.536 175 R N -0.532 120.040 120.500 0.121 0.000 2.787 175 R HA 0.591 4.934 4.340 0.006 0.000 0.271 175 R C 0.454 176.852 176.300 0.163 0.000 0.993 175 R CA -0.612 55.563 56.100 0.124 0.000 0.993 175 R CB 0.579 30.940 30.300 0.102 0.000 1.155 175 R HN 0.449 nan 8.270 nan 0.000 0.486 176 C N 4.777 124.181 119.300 0.174 0.000 2.634 176 C HA 0.074 4.537 4.460 0.006 0.000 0.418 176 C C 2.181 177.313 174.990 0.236 0.000 1.373 176 C CA -0.676 58.485 59.018 0.238 0.000 1.756 176 C CB -0.730 27.143 27.740 0.223 0.000 2.589 176 C HN 0.941 nan 8.230 nan 0.000 0.602 177 W N 6.462 127.788 121.300 0.042 0.000 2.341 177 W HA -0.110 4.555 4.660 0.007 0.000 0.283 177 W C 1.501 178.000 176.519 -0.033 0.000 1.215 177 W CA 1.301 58.658 57.345 0.019 0.000 1.211 177 W CB -1.024 28.470 29.460 0.055 0.000 1.131 177 W HN 0.683 nan 8.180 nan 0.000 0.552 178 R N -0.070 120.069 120.500 -0.602 0.000 2.156 178 R HA 0.035 4.378 4.340 0.006 0.000 0.207 178 R C -0.038 175.863 176.300 -0.665 0.000 1.040 178 R CA 0.755 56.352 56.100 -0.839 0.000 1.013 178 R CB -0.978 28.645 30.300 -1.129 0.000 0.931 178 R HN 0.357 nan 8.270 nan 0.000 0.465 179 H N 0.582 119.566 119.070 -0.143 0.000 2.572 179 H HA 0.241 4.800 4.556 0.005 0.000 0.248 179 H C 0.373 175.685 175.328 -0.028 0.000 1.397 179 H CA -0.208 55.791 56.048 -0.083 0.000 1.319 179 H CB 0.745 30.460 29.762 -0.078 0.000 1.452 179 H HN 0.083 nan 8.280 nan 0.000 0.535 180 E N 1.141 121.366 120.200 0.042 0.000 2.267 180 E HA -0.196 4.157 4.350 0.006 0.000 0.197 180 E C 1.153 177.788 176.600 0.058 0.000 0.998 180 E CA 1.300 57.729 56.400 0.048 0.000 0.830 180 E CB 0.207 29.921 29.700 0.024 0.000 0.751 180 E HN 0.722 nan 8.360 nan 0.000 0.491 181 D N -0.369 120.068 120.400 0.062 0.000 2.349 181 D HA -0.051 4.593 4.640 0.006 0.000 0.215 181 D C 0.153 176.482 176.300 0.048 0.000 1.016 181 D CA 0.384 54.412 54.000 0.047 0.000 0.870 181 D CB 0.026 40.846 40.800 0.034 0.000 0.917 181 D HN -0.183 nan 8.370 nan 0.000 0.524 182 T N 2.687 117.282 114.554 0.068 0.000 2.788 182 T HA 0.405 4.758 4.350 0.006 0.000 0.296 182 T C -2.702 172.043 174.700 0.075 0.000 1.009 182 T CA -1.442 60.690 62.100 0.054 0.000 0.949 182 T CB 1.930 70.814 68.868 0.027 0.000 0.946 182 T HN -0.068 nan 8.240 nan 0.000 0.453 183 P HA 0.143 nan 4.420 nan 0.000 0.268 183 P C 0.178 177.541 177.300 0.104 0.000 1.204 183 P CA -0.575 62.576 63.100 0.086 0.000 0.768 183 P CB 0.341 32.087 31.700 0.076 0.000 0.842 184 V N 0.642 120.630 119.914 0.124 0.000 2.924 184 V HA 0.337 4.460 4.120 0.006 0.000 0.305 184 V C 0.167 176.362 176.094 0.169 0.000 1.073 184 V CA -0.143 62.247 62.300 0.150 0.000 1.098 184 V CB 0.336 32.259 31.823 0.167 0.000 1.000 184 V HN 0.434 nan 8.190 nan 0.000 0.484 185 E N 1.416 121.754 120.200 0.230 0.000 2.281 185 E HA 0.546 4.899 4.350 0.006 0.000 0.262 185 E C -1.028 175.714 176.600 0.237 0.000 0.933 185 E CA -1.050 55.485 56.400 0.225 0.000 0.809 185 E CB 2.192 32.050 29.700 0.263 0.000 1.242 185 E HN 0.695 nan 8.360 nan 0.000 0.418 186 K N 1.740 122.237 120.400 0.161 0.000 2.183 186 K HA 0.434 4.757 4.320 0.006 0.000 0.274 186 K C -0.352 176.298 176.600 0.083 0.000 1.009 186 K CA -0.696 55.674 56.287 0.138 0.000 0.888 186 K CB 1.024 33.588 32.500 0.107 0.000 1.078 186 K HN 0.193 nan 8.250 nan 0.000 0.459 187 R N 1.361 121.908 120.500 0.078 0.000 2.912 187 R HA 0.325 4.668 4.340 0.006 0.000 0.262 187 R C -0.950 175.366 176.300 0.028 0.000 1.057 187 R CA -0.835 55.255 56.100 -0.018 0.000 0.981 187 R CB 1.726 31.945 30.300 -0.134 0.000 1.201 187 R HN 0.654 nan 8.270 nan 0.000 0.484 188 E N 1.710 121.907 120.200 -0.005 0.000 2.155 188 E HA 0.502 4.855 4.350 0.006 0.000 0.264 188 E C -1.250 175.357 176.600 0.013 0.000 0.886 188 E CA -0.315 56.100 56.400 0.025 0.000 0.752 188 E CB 0.932 30.642 29.700 0.016 0.000 1.133 188 E HN 0.342 nan 8.360 nan 0.000 0.414 189 L N 2.909 124.163 121.223 0.053 0.000 2.518 189 L HA 0.373 4.716 4.340 0.006 0.000 0.257 189 L C -0.719 176.200 176.870 0.082 0.000 0.980 189 L CA -0.852 54.017 54.840 0.049 0.000 0.837 189 L CB 2.408 44.503 42.059 0.060 0.000 1.410 189 L HN 0.534 nan 8.230 nan 0.000 0.410 190 E N 2.006 122.239 120.200 0.055 0.000 2.229 190 E HA 0.365 4.718 4.350 0.006 0.000 0.283 190 E C -1.227 175.398 176.600 0.040 0.000 1.030 190 E CA -0.381 56.051 56.400 0.054 0.000 0.836 190 E CB 0.850 30.557 29.700 0.012 0.000 1.068 190 E HN 0.281 nan 8.360 nan 0.000 0.401 191 Q N 2.955 122.791 119.800 0.060 0.000 2.553 191 Q HA 0.294 4.637 4.340 0.006 0.000 0.293 191 Q C -1.397 174.536 176.000 -0.110 0.000 1.038 191 Q CA -0.674 55.119 55.803 -0.016 0.000 0.777 191 Q CB 1.003 29.700 28.738 -0.068 0.000 1.487 191 Q HN 0.563 nan 8.270 nan 0.000 0.426 192 W N 0.763 121.999 121.300 -0.106 0.000 2.365 192 W HA 0.500 5.164 4.660 0.005 0.000 0.316 192 W C -0.554 175.733 176.519 -0.387 0.000 1.164 192 W CA -0.034 57.272 57.345 -0.066 0.000 1.204 192 W CB 0.719 30.222 29.460 0.072 0.000 1.213 192 W HN 0.380 nan 8.180 nan 0.000 0.539 193 Y N 2.390 122.662 120.300 -0.046 0.000 2.512 193 Y HA 0.536 5.089 4.550 0.006 0.000 0.348 193 Y C -0.184 175.536 175.900 -0.299 0.000 0.990 193 Y CA -1.252 56.669 58.100 -0.299 0.000 1.033 193 Y CB 1.310 39.351 38.460 -0.699 0.000 1.259 193 Y HN -0.006 nan 8.280 nan 0.000 0.461 194 L N 3.094 124.307 121.223 -0.017 0.000 2.282 194 L HA 0.519 4.862 4.340 0.006 0.000 0.288 194 L C 0.533 177.463 176.870 0.099 0.000 1.033 194 L CA -0.761 54.100 54.840 0.035 0.000 0.807 194 L CB 1.446 43.545 42.059 0.067 0.000 1.209 194 L HN 0.573 nan 8.230 nan 0.000 0.423 195 R N 3.253 123.833 120.500 0.134 0.000 4.164 195 R HA 0.106 4.449 4.340 0.006 0.000 0.195 195 R C 1.225 177.517 176.300 -0.014 0.000 1.712 195 R CA -0.066 56.142 56.100 0.179 0.000 1.457 195 R CB -0.134 30.342 30.300 0.294 0.000 1.387 195 R HN 0.739 nan 8.270 nan 0.000 0.785 196 I N 0.726 121.126 120.570 -0.284 0.000 2.614 196 I HA -0.237 3.937 4.170 0.006 0.000 0.258 196 I C 1.798 177.830 176.117 -0.141 0.000 1.189 196 I CA 1.552 62.464 61.300 -0.646 0.000 1.462 196 I CB 0.157 37.814 38.000 -0.571 0.000 1.092 196 I HN 0.471 nan 8.210 nan 0.000 0.442 197 T N -1.066 113.469 114.554 -0.033 0.000 2.929 197 T HA -0.059 4.294 4.350 0.006 0.000 0.271 197 T C 1.917 176.593 174.700 -0.040 0.000 1.085 197 T CA 0.842 62.915 62.100 -0.044 0.000 1.125 197 T CB -0.604 68.265 68.868 0.001 0.000 0.874 197 T HN 0.394 nan 8.240 nan 0.000 0.494 198 A N 0.340 123.191 122.820 0.051 0.000 2.076 198 A HA 0.017 4.341 4.320 0.006 0.000 0.220 198 A C 1.612 179.137 177.584 -0.099 0.000 1.160 198 A CA 0.924 52.973 52.037 0.019 0.000 0.653 198 A CB -0.876 18.186 19.000 0.103 0.000 0.801 198 A HN 0.681 nan 8.150 nan 0.000 0.455 199 Y N -1.423 118.876 120.300 -0.002 0.000 2.507 199 Y HA 0.427 4.981 4.550 0.006 0.000 0.254 199 Y C 2.241 178.096 175.900 -0.075 0.000 1.171 199 Y CA -0.291 57.832 58.100 0.039 0.000 1.238 199 Y CB -0.244 38.343 38.460 0.212 0.000 1.148 199 Y HN 0.293 nan 8.280 nan 0.000 0.525 200 A N 0.272 123.004 122.820 -0.146 0.000 1.883 200 A HA -0.263 4.061 4.320 0.006 0.000 0.217 200 A C 2.093 179.495 177.584 -0.303 0.000 1.186 200 A CA 2.261 54.065 52.037 -0.388 0.000 0.624 200 A CB -0.334 18.026 19.000 -1.067 0.000 0.822 200 A HN 0.368 nan 8.150 nan 0.000 0.444 201 E N -0.113 119.947 120.200 -0.234 0.000 2.072 201 E HA -0.135 4.219 4.350 0.006 0.000 0.191 201 E C 2.182 178.785 176.600 0.005 0.000 0.985 201 E CA 1.414 57.801 56.400 -0.023 0.000 0.801 201 E CB -0.201 29.534 29.700 0.058 0.000 0.750 201 E HN 0.609 nan 8.360 nan 0.000 0.452 202 R N -0.341 120.165 120.500 0.010 0.000 2.075 202 R HA -0.030 4.314 4.340 0.006 0.000 0.232 202 R C 2.532 178.856 176.300 0.041 0.000 1.126 202 R CA 1.334 57.459 56.100 0.041 0.000 0.963 202 R CB -0.407 29.948 30.300 0.091 0.000 0.858 202 R HN 0.217 nan 8.270 nan 0.000 0.435 203 L N 0.325 121.583 121.223 0.060 0.000 2.083 203 L HA -0.202 4.142 4.340 0.006 0.000 0.209 203 L C 2.283 179.150 176.870 -0.005 0.000 1.083 203 L CA 0.749 55.611 54.840 0.037 0.000 0.752 203 L CB -0.344 41.753 42.059 0.064 0.000 0.899 203 L HN 0.185 nan 8.230 nan 0.000 0.433 204 L N -0.015 121.211 121.223 0.005 0.000 2.023 204 L HA -0.177 4.167 4.340 0.006 0.000 0.205 204 L C 2.557 179.424 176.870 -0.004 0.000 1.073 204 L CA 1.769 56.618 54.840 0.016 0.000 0.745 204 L CB -0.510 41.587 42.059 0.064 0.000 0.900 204 L HN 0.088 nan 8.230 nan 0.000 0.435 205 K N -0.840 119.561 120.400 0.002 0.000 2.097 205 K HA -0.166 4.157 4.320 0.006 0.000 0.205 205 K C 1.238 177.814 176.600 -0.040 0.000 1.050 205 K CA 1.629 57.911 56.287 -0.008 0.000 0.938 205 K CB -0.068 32.434 32.500 0.003 0.000 0.718 205 K HN 0.335 nan 8.250 nan 0.000 0.442 206 D N 0.814 121.181 120.400 -0.055 0.000 2.363 206 D HA -0.048 4.595 4.640 0.006 0.000 0.226 206 D C 1.591 177.792 176.300 -0.164 0.000 1.020 206 D CA 0.370 54.314 54.000 -0.093 0.000 0.892 206 D CB 0.121 40.870 40.800 -0.084 0.000 0.900 206 D HN 0.248 nan 8.370 nan 0.000 0.531 207 L N 0.520 121.643 121.223 -0.168 0.000 2.201 207 L HA -0.134 4.210 4.340 0.006 0.000 0.212 207 L C 2.162 178.927 176.870 -0.175 0.000 1.105 207 L CA 0.959 55.658 54.840 -0.235 0.000 0.775 207 L CB -0.193 41.765 42.059 -0.169 0.000 0.913 207 L HN 0.010 nan 8.230 nan 0.000 0.440 208 E N 0.106 120.241 120.200 -0.108 0.000 2.058 208 E HA -0.197 4.156 4.350 0.006 0.000 0.194 208 E C 1.990 178.546 176.600 -0.074 0.000 0.997 208 E CA 1.193 57.550 56.400 -0.071 0.000 0.801 208 E CB -0.348 29.326 29.700 -0.044 0.000 0.746 208 E HN 0.529 nan 8.360 nan 0.000 0.450 209 G N 0.493 109.241 108.800 -0.086 0.000 2.990 209 G HA2 0.021 3.984 3.960 0.006 0.000 0.206 209 G HA3 0.021 3.984 3.960 0.006 0.000 0.206 209 G C 0.109 174.961 174.900 -0.080 0.000 1.169 209 G CA -0.131 44.926 45.100 -0.071 0.000 0.819 209 G HN -0.066 nan 8.290 nan 0.000 0.517 210 L N 0.682 121.829 121.223 -0.127 0.000 2.295 210 L HA 0.391 4.735 4.340 0.006 0.000 0.285 210 L C -0.138 176.739 176.870 0.011 0.000 1.035 210 L CA -1.183 53.553 54.840 -0.173 0.000 0.806 210 L CB 1.625 43.346 42.059 -0.564 0.000 1.214 210 L HN -0.026 nan 8.230 nan 0.000 0.426 211 N N 3.596 122.390 118.700 0.157 0.000 3.178 211 N HA 0.090 4.834 4.740 0.006 0.000 0.300 211 N C -1.539 174.230 175.510 0.432 0.000 1.242 211 N CA -0.059 53.127 53.050 0.227 0.000 1.192 211 N CB -0.205 38.382 38.487 0.166 0.000 1.463 211 N HN 0.253 nan 8.380 nan 0.000 0.539 212 W N 1.066 122.364 121.300 -0.002 0.000 2.882 212 W HA 0.486 5.149 4.660 0.006 0.000 0.345 212 W C -2.012 174.475 176.519 -0.053 0.000 1.125 212 W CA -2.185 55.150 57.345 -0.017 0.000 1.167 212 W CB 0.065 29.525 29.460 -0.000 0.000 1.431 212 W HN 0.172 nan 8.180 nan 0.000 0.543 213 P HA 0.010 nan 4.420 nan 0.000 0.268 213 P C 0.706 178.046 177.300 0.067 0.000 1.204 213 P CA 0.124 63.224 63.100 0.000 0.000 0.768 213 P CB 1.006 32.635 31.700 -0.118 0.000 0.842 214 E N 3.636 123.854 120.200 0.030 0.000 2.160 214 E HA -0.252 4.101 4.350 0.006 0.000 0.195 214 E C 1.669 178.289 176.600 0.033 0.000 0.991 214 E CA 1.721 58.142 56.400 0.034 0.000 0.810 214 E CB -0.334 29.374 29.700 0.013 0.000 0.742 214 E HN 0.297 nan 8.360 nan 0.000 0.466 215 K N -0.386 120.019 120.400 0.009 0.000 2.063 215 K HA -0.098 4.226 4.320 0.006 0.000 0.208 215 K C 1.878 178.496 176.600 0.030 0.000 1.048 215 K CA 1.608 57.899 56.287 0.006 0.000 0.928 215 K CB -0.362 32.124 32.500 -0.024 0.000 0.713 215 K HN 0.098 nan 8.250 nan 0.000 0.442 216 V N 1.314 121.261 119.914 0.055 0.000 2.358 216 V HA -0.223 3.900 4.120 0.006 0.000 0.246 216 V C 2.126 178.315 176.094 0.158 0.000 1.047 216 V CA 2.028 64.395 62.300 0.113 0.000 1.035 216 V CB -0.463 31.457 31.823 0.163 0.000 0.658 216 V HN 0.349 nan 8.190 nan 0.000 0.452 217 K N 0.611 121.107 120.400 0.159 0.000 2.063 217 K HA -0.168 4.156 4.320 0.006 0.000 0.208 217 K C 2.330 178.968 176.600 0.062 0.000 1.048 217 K CA 1.606 57.947 56.287 0.090 0.000 0.928 217 K CB -0.489 32.041 32.500 0.049 0.000 0.713 217 K HN 0.471 nan 8.250 nan 0.000 0.442 218 A N 1.328 124.182 122.820 0.056 0.000 1.902 218 A HA -0.167 4.156 4.320 0.006 0.000 0.217 218 A C 2.156 179.780 177.584 0.066 0.000 1.181 218 A CA 1.549 53.616 52.037 0.050 0.000 0.623 218 A CB -0.469 18.553 19.000 0.037 0.000 0.818 218 A HN 0.195 nan 8.150 nan 0.000 0.443 219 M N -1.028 118.610 119.600 0.064 0.000 2.117 219 M HA -0.213 4.270 4.480 0.006 0.000 0.262 219 M C 2.461 178.827 176.300 0.110 0.000 1.065 219 M CA 1.597 56.940 55.300 0.072 0.000 1.114 219 M CB -0.343 32.270 32.600 0.022 0.000 1.361 219 M HN 0.495 nan 8.290 nan 0.000 0.408 220 Q N -0.377 119.478 119.800 0.093 0.000 2.083 220 Q HA -0.110 4.233 4.340 0.006 0.000 0.198 220 Q C 2.117 178.204 176.000 0.145 0.000 0.969 220 Q CA 1.114 56.985 55.803 0.113 0.000 0.838 220 Q CB -0.079 28.702 28.738 0.071 0.000 0.900 220 Q HN 0.495 nan 8.270 nan 0.000 0.436 221 R N 0.391 120.952 120.500 0.101 0.000 2.083 221 R HA -0.159 4.185 4.340 0.006 0.000 0.237 221 R C 2.270 178.637 176.300 0.113 0.000 1.137 221 R CA 1.411 57.566 56.100 0.092 0.000 0.951 221 R CB -0.393 29.944 30.300 0.062 0.000 0.851 221 R HN 0.199 nan 8.270 nan 0.000 0.434 222 A N 0.611 123.505 122.820 0.124 0.000 1.898 222 A HA -0.185 4.139 4.320 0.006 0.000 0.216 222 A C 1.902 179.579 177.584 0.154 0.000 1.181 222 A CA 0.881 52.990 52.037 0.119 0.000 0.620 222 A CB -0.860 18.211 19.000 0.118 0.000 0.819 222 A HN 0.598 nan 8.150 nan 0.000 0.442 223 W N 0.509 121.815 121.300 0.010 0.000 2.381 223 W HA -0.153 4.510 4.660 0.006 0.000 0.301 223 W C 1.767 178.301 176.519 0.024 0.000 1.205 223 W CA 1.684 59.030 57.345 0.002 0.000 1.285 223 W CB -0.183 29.258 29.460 -0.032 0.000 1.133 223 W HN 0.327 nan 8.180 nan 0.000 0.521 224 I N 0.947 121.618 120.570 0.168 0.000 2.202 224 I HA -0.121 4.052 4.170 0.006 0.000 0.242 224 I C 1.589 177.777 176.117 0.118 0.000 1.091 224 I CA 1.710 63.074 61.300 0.108 0.000 1.368 224 I CB -1.150 36.925 38.000 0.126 0.000 1.058 224 I HN 0.150 nan 8.210 nan 0.000 0.410 225 G N 2.474 111.340 108.800 0.110 0.000 2.370 225 G HA2 -0.314 3.650 3.960 0.006 0.000 0.295 225 G HA3 -0.314 3.650 3.960 0.006 0.000 0.295 225 G C 0.253 175.200 174.900 0.078 0.000 1.045 225 G CA 0.001 45.139 45.100 0.064 0.000 1.199 225 G HN 0.441 nan 8.290 nan 0.000 0.513 226 R N 0.162 120.729 120.500 0.112 0.000 2.570 226 R HA 0.442 4.785 4.340 0.006 0.000 0.277 226 R C 0.669 176.905 176.300 -0.106 0.000 1.039 226 R CA 0.695 56.768 56.100 -0.046 0.000 1.065 226 R CB 0.349 30.679 30.300 0.050 0.000 0.964 226 R HN 0.849 nan 8.270 nan 0.000 0.428 227 S N 2.819 118.401 115.700 -0.197 0.000 2.549 227 S HA 0.280 4.754 4.470 0.006 0.000 0.280 227 S C -1.094 173.436 174.600 -0.116 0.000 1.109 227 S CA -1.088 57.043 58.200 -0.115 0.000 0.905 227 S CB 2.018 65.173 63.200 -0.075 0.000 1.081 227 S HN 0.589 nan 8.310 nan 0.000 0.477 228 E N 1.883 122.038 120.200 -0.075 0.000 2.129 228 E HA 0.467 4.821 4.350 0.006 0.000 0.283 228 E C 0.381 176.952 176.600 -0.047 0.000 1.080 228 E CA 0.038 56.405 56.400 -0.055 0.000 0.867 228 E CB 0.965 30.639 29.700 -0.042 0.000 1.056 228 E HN 0.784 nan 8.360 nan 0.000 0.404 229 G N 0.957 109.751 108.800 -0.010 0.000 2.788 229 G HA2 0.799 4.763 3.960 0.006 0.000 0.293 229 G HA3 0.799 4.763 3.960 0.006 0.000 0.293 229 G C -1.234 173.684 174.900 0.031 0.000 1.305 229 G CA -0.383 44.717 45.100 0.001 0.000 1.005 229 G HN 0.508 nan 8.290 nan 0.000 0.496 230 A N -0.513 122.312 122.820 0.008 0.000 2.574 230 A HA 0.740 5.063 4.320 0.006 0.000 0.297 230 A C -1.011 176.640 177.584 0.112 0.000 1.062 230 A CA -0.605 51.459 52.037 0.045 0.000 0.686 230 A CB 1.596 20.590 19.000 -0.010 0.000 1.285 230 A HN 0.521 nan 8.150 nan 0.000 0.403 231 E N 0.915 121.192 120.200 0.129 0.000 2.156 231 E HA 0.585 4.938 4.350 0.006 0.000 0.279 231 E C -1.167 175.473 176.600 0.067 0.000 0.965 231 E CA -0.275 56.206 56.400 0.135 0.000 0.789 231 E CB 1.621 31.396 29.700 0.125 0.000 1.098 231 E HN 0.526 nan 8.360 nan 0.000 0.397 232 I N 3.993 124.617 120.570 0.091 0.000 2.509 232 I HA 0.304 4.478 4.170 0.006 0.000 0.293 232 I C -0.624 175.545 176.117 0.086 0.000 1.020 232 I CA -0.801 60.520 61.300 0.036 0.000 1.088 232 I CB 1.470 39.499 38.000 0.048 0.000 1.267 232 I HN 0.298 nan 8.210 nan 0.000 0.430 233 L N 5.763 126.947 121.223 -0.065 0.000 2.282 233 L HA 0.452 4.795 4.340 0.006 0.000 0.288 233 L C -1.127 175.665 176.870 -0.130 0.000 1.033 233 L CA -0.374 54.466 54.840 -0.000 0.000 0.807 233 L CB 0.871 42.908 42.059 -0.037 0.000 1.209 233 L HN 0.391 nan 8.230 nan 0.000 0.423 234 F N 4.422 124.368 119.950 -0.006 0.000 2.347 234 F HA 0.379 4.909 4.527 0.006 0.000 0.366 234 F C -1.927 173.879 175.800 0.011 0.000 1.107 234 F CA -2.534 55.467 58.000 0.002 0.000 1.058 234 F CB 1.053 40.056 39.000 0.005 0.000 1.236 234 F HN 0.253 nan 8.300 nan 0.000 0.456 235 P HA 0.038 nan 4.420 nan 0.000 0.267 235 P C -0.403 176.971 177.300 0.124 0.000 1.205 235 P CA 0.056 63.212 63.100 0.093 0.000 0.765 235 P CB 1.037 32.764 31.700 0.046 0.000 0.828 236 V N 3.886 123.859 119.914 0.099 0.000 2.461 236 V HA 0.087 4.210 4.120 0.006 0.000 0.275 236 V C 1.044 177.192 176.094 0.090 0.000 1.047 236 V CA -0.515 61.844 62.300 0.098 0.000 0.955 236 V CB 0.315 32.177 31.823 0.066 0.000 0.988 236 V HN 0.590 nan 8.190 nan 0.000 0.471 237 E N 3.771 124.042 120.200 0.117 0.000 2.585 237 E HA 0.162 4.516 4.350 0.006 0.000 0.252 237 E C 1.322 177.965 176.600 0.071 0.000 0.981 237 E CA 0.964 57.423 56.400 0.098 0.000 0.943 237 E CB 0.052 29.829 29.700 0.129 0.000 0.923 237 E HN 1.056 nan 8.360 nan 0.000 0.486 238 G N 3.931 112.760 108.800 0.048 0.000 2.184 238 G HA2 -0.245 3.718 3.960 0.006 0.000 0.264 238 G HA3 -0.245 3.718 3.960 0.006 0.000 0.264 238 G C -0.069 174.848 174.900 0.027 0.000 0.975 238 G CA 0.566 45.686 45.100 0.033 0.000 0.642 238 G HN 0.481 nan 8.290 nan 0.000 0.536 239 K N -0.200 120.220 120.400 0.033 0.000 2.340 239 K HA 0.479 4.802 4.320 0.006 0.000 0.244 239 K C 0.817 177.433 176.600 0.026 0.000 0.973 239 K CA -0.461 55.842 56.287 0.026 0.000 0.828 239 K CB 1.819 34.335 32.500 0.026 0.000 1.226 239 K HN 0.172 nan 8.250 nan 0.000 0.437 240 E N 0.665 120.878 120.200 0.021 0.000 2.072 240 E HA -0.085 4.268 4.350 0.006 0.000 0.191 240 E C 0.328 176.943 176.600 0.025 0.000 0.985 240 E CA 0.480 56.891 56.400 0.019 0.000 0.801 240 E CB 0.325 30.033 29.700 0.014 0.000 0.750 240 E HN 0.243 nan 8.360 nan 0.000 0.452 241 V N 1.893 121.826 119.914 0.031 0.000 2.673 241 V HA 0.024 4.148 4.120 0.006 0.000 0.303 241 V C -0.349 175.776 176.094 0.051 0.000 1.046 241 V CA 0.287 62.611 62.300 0.041 0.000 1.126 241 V CB 0.549 32.400 31.823 0.047 0.000 0.934 241 V HN 0.162 nan 8.190 nan 0.000 0.487 242 R N 6.613 127.146 120.500 0.055 0.000 2.343 242 R HA 0.511 4.855 4.340 0.006 0.000 0.320 242 R C -0.772 175.587 176.300 0.099 0.000 0.956 242 R CA -0.617 55.527 56.100 0.073 0.000 0.836 242 R CB 1.597 31.924 30.300 0.045 0.000 1.151 242 R HN 0.651 nan 8.270 nan 0.000 0.450 243 I N 5.512 126.164 120.570 0.135 0.000 2.396 243 I HA 0.158 4.331 4.170 0.006 0.000 0.289 243 I C -1.860 174.366 176.117 0.182 0.000 1.056 243 I CA -2.011 59.364 61.300 0.125 0.000 1.365 243 I CB 0.988 39.018 38.000 0.051 0.000 1.407 243 I HN 0.241 nan 8.210 nan 0.000 0.509 244 P HA 0.169 nan 4.420 nan 0.000 0.286 244 P C -0.732 176.664 177.300 0.161 0.000 1.269 244 P CA -0.225 62.970 63.100 0.159 0.000 0.787 244 P CB 1.405 33.175 31.700 0.116 0.000 0.920 245 V N 2.082 122.106 119.914 0.182 0.000 2.628 245 V HA 0.647 4.770 4.120 0.006 0.000 0.306 245 V C -0.878 175.312 176.094 0.161 0.000 1.045 245 V CA -1.148 61.229 62.300 0.127 0.000 0.905 245 V CB 1.712 33.556 31.823 0.035 0.000 0.997 245 V HN 0.337 nan 8.190 nan 0.000 0.436 246 F N 3.459 123.412 119.950 0.005 0.000 2.408 246 F HA 0.789 5.320 4.527 0.005 0.000 0.344 246 F C 0.076 175.867 175.800 -0.014 0.000 1.112 246 F CA 0.040 58.035 58.000 -0.009 0.000 1.096 246 F CB 1.538 40.520 39.000 -0.030 0.000 1.129 246 F HN 0.906 nan 8.300 nan 0.000 0.486 247 T N 3.288 117.222 114.554 -1.033 0.000 2.916 247 T HA 0.309 4.662 4.350 0.006 0.000 0.298 247 T C 0.483 174.656 174.700 -0.878 0.000 1.031 247 T CA 0.027 61.646 62.100 -0.803 0.000 0.993 247 T CB 1.204 69.879 68.868 -0.323 0.000 1.045 247 T HN 0.767 nan 8.240 nan 0.000 0.454 248 T N 1.573 115.755 114.554 -0.620 0.000 3.107 248 T HA 0.277 4.631 4.350 0.006 0.000 0.249 248 T C 0.702 175.281 174.700 -0.200 0.000 1.096 248 T CA -0.150 61.754 62.100 -0.326 0.000 1.012 248 T CB 0.065 68.823 68.868 -0.184 0.000 0.977 248 T HN 0.350 nan 8.240 nan 0.000 0.527 249 R N 1.682 122.064 120.500 -0.197 0.000 2.835 249 R HA 0.281 4.624 4.340 0.006 0.000 0.290 249 R C -2.256 173.977 176.300 -0.112 0.000 1.410 249 R CA -2.158 53.863 56.100 -0.133 0.000 1.590 249 R CB 0.786 31.022 30.300 -0.107 0.000 1.288 249 R HN 0.268 nan 8.270 nan 0.000 0.637 250 P HA -0.157 nan 4.420 nan 0.000 0.220 250 P C 0.673 177.921 177.300 -0.086 0.000 1.148 250 P CA 1.039 64.091 63.100 -0.079 0.000 0.803 250 P CB 0.250 31.909 31.700 -0.068 0.000 0.782 251 D N 0.302 120.638 120.400 -0.107 0.000 2.271 251 D HA -0.150 4.493 4.640 0.006 0.000 0.207 251 D C 1.233 177.480 176.300 -0.088 0.000 0.983 251 D CA 1.741 55.665 54.000 -0.127 0.000 0.878 251 D CB -1.426 39.300 40.800 -0.122 0.000 0.920 251 D HN 0.270 nan 8.370 nan 0.000 0.479 252 T N -2.416 112.106 114.554 -0.053 0.000 3.163 252 T HA 0.146 4.499 4.350 0.006 0.000 0.252 252 T C 1.687 176.440 174.700 0.088 0.000 1.056 252 T CA -0.308 61.797 62.100 0.009 0.000 0.947 252 T CB -0.227 68.648 68.868 0.011 0.000 1.016 252 T HN 0.036 nan 8.240 nan 0.000 0.554 253 L N 0.641 121.910 121.223 0.077 0.000 2.079 253 L HA 0.140 4.483 4.340 0.006 0.000 0.210 253 L C 1.634 178.550 176.870 0.076 0.000 1.081 253 L CA 1.710 56.588 54.840 0.063 0.000 0.752 253 L CB -0.990 41.058 42.059 -0.019 0.000 0.896 253 L HN 0.291 nan 8.230 nan 0.000 0.433 254 F N -0.223 119.735 119.950 0.013 0.000 2.546 254 F HA 0.050 4.580 4.527 0.005 0.000 0.298 254 F C 2.235 178.082 175.800 0.078 0.000 1.120 254 F CA 0.979 59.005 58.000 0.044 0.000 1.456 254 F CB -0.732 38.279 39.000 0.019 0.000 1.088 254 F HN 0.226 nan 8.300 nan 0.000 0.572 255 G N -0.638 108.308 108.800 0.243 0.000 3.337 255 G HA2 0.374 4.338 3.960 0.006 0.000 0.246 255 G HA3 0.374 4.338 3.960 0.006 0.000 0.246 255 G C 0.295 175.272 174.900 0.129 0.000 1.131 255 G CA 0.165 45.383 45.100 0.197 0.000 0.773 255 G HN 0.290 nan 8.290 nan 0.000 0.544 256 A N 1.009 123.896 122.820 0.110 0.000 2.395 256 A HA 0.509 4.832 4.320 0.006 0.000 0.286 256 A C 1.400 179.023 177.584 0.065 0.000 1.193 256 A CA 0.514 52.573 52.037 0.038 0.000 0.852 256 A CB 0.189 19.241 19.000 0.086 0.000 1.118 256 A HN 0.358 nan 8.150 nan 0.000 0.524 257 T N -0.583 113.990 114.554 0.033 0.000 3.023 257 T HA 0.484 4.837 4.350 0.006 0.000 0.253 257 T C 0.024 174.915 174.700 0.317 0.000 1.038 257 T CA 0.368 62.578 62.100 0.183 0.000 0.962 257 T CB -0.554 68.459 68.868 0.241 0.000 1.018 257 T HN 1.125 nan 8.240 nan 0.000 0.521 258 F N -0.442 119.502 119.950 -0.010 0.000 2.741 258 F HA 0.739 5.269 4.527 0.005 0.000 0.311 258 F C -2.148 173.577 175.800 -0.126 0.000 1.149 258 F CA -2.138 55.844 58.000 -0.030 0.000 0.930 258 F CB 0.900 39.881 39.000 -0.031 0.000 1.312 258 F HN -0.162 nan 8.300 nan 0.000 0.450 259 L N 2.155 123.372 121.223 -0.010 0.000 2.334 259 L HA 0.881 5.225 4.340 0.006 0.000 0.273 259 L C -0.986 175.867 176.870 -0.029 0.000 1.013 259 L CA -1.454 53.262 54.840 -0.207 0.000 0.816 259 L CB 2.022 43.914 42.059 -0.278 0.000 1.278 259 L HN 0.587 nan 8.230 nan 0.000 0.431 260 V N 3.380 123.195 119.914 -0.165 0.000 2.483 260 V HA 0.440 4.563 4.120 0.006 0.000 0.297 260 V C -0.166 175.827 176.094 -0.168 0.000 1.027 260 V CA -0.503 61.715 62.300 -0.137 0.000 0.855 260 V CB 1.924 33.554 31.823 -0.323 0.000 0.995 260 V HN 0.499 nan 8.190 nan 0.000 0.424 261 L N 3.543 124.699 121.223 -0.112 0.000 2.322 261 L HA 0.772 5.115 4.340 0.006 0.000 0.279 261 L C 0.863 177.729 176.870 -0.007 0.000 1.036 261 L CA -0.663 54.120 54.840 -0.095 0.000 0.807 261 L CB 1.567 43.514 42.059 -0.185 0.000 1.226 261 L HN 0.763 nan 8.230 nan 0.000 0.433 262 A N 3.768 126.647 122.820 0.097 0.000 2.531 262 A HA 0.195 4.518 4.320 0.006 0.000 0.236 262 A C -1.573 176.073 177.584 0.104 0.000 1.062 262 A CA -0.769 51.347 52.037 0.132 0.000 0.760 262 A CB -0.208 18.958 19.000 0.276 0.000 0.995 262 A HN 0.644 nan 8.150 nan 0.000 0.501 263 P HA -0.163 nan 4.420 nan 0.000 0.216 263 P C 0.654 177.934 177.300 -0.033 0.000 1.150 263 P CA 1.667 64.815 63.100 0.080 0.000 0.843 263 P CB 0.150 31.899 31.700 0.083 0.000 0.787 264 E N -2.777 117.344 120.200 -0.132 0.000 2.481 264 E HA -0.077 4.276 4.350 0.006 0.000 0.195 264 E C 0.868 177.055 176.600 -0.688 0.000 1.047 264 E CA 0.072 56.242 56.400 -0.383 0.000 0.867 264 E CB -0.729 28.687 29.700 -0.474 0.000 0.858 264 E HN 0.368 nan 8.360 nan 0.000 0.513 265 H N 1.113 119.870 119.070 -0.522 0.000 3.034 265 H HA -0.023 4.536 4.556 0.006 0.000 0.324 265 H C -1.666 173.516 175.328 -0.244 0.000 1.015 265 H CA -1.406 54.431 56.048 -0.353 0.000 1.429 265 H CB 1.042 30.803 29.762 -0.002 0.000 1.429 265 H HN -0.095 nan 8.280 nan 0.000 0.585 266 P HA -0.174 nan 4.420 nan 0.000 0.217 266 P C 1.731 179.103 177.300 0.120 0.000 1.151 266 P CA 1.186 64.295 63.100 0.015 0.000 0.849 266 P CB 0.183 31.884 31.700 0.001 0.000 0.787 267 L N -1.909 119.504 121.223 0.316 0.000 2.376 267 L HA -0.092 4.251 4.340 0.006 0.000 0.219 267 L C 2.148 179.004 176.870 -0.023 0.000 1.133 267 L CA 1.154 56.044 54.840 0.084 0.000 0.816 267 L CB -1.242 40.801 42.059 -0.027 0.000 0.933 267 L HN 0.052 nan 8.230 nan 0.000 0.449 268 T N 0.341 114.888 114.554 -0.012 0.000 2.708 268 T HA -0.154 4.199 4.350 0.006 0.000 0.266 268 T C 1.925 176.589 174.700 -0.061 0.000 1.037 268 T CA 1.317 63.385 62.100 -0.053 0.000 1.146 268 T CB -0.096 68.760 68.868 -0.020 0.000 0.865 268 T HN 0.233 nan 8.240 nan 0.000 0.435 269 L N 0.189 121.386 121.223 -0.043 0.000 2.209 269 L HA 0.107 4.450 4.340 0.006 0.000 0.207 269 L C 2.708 179.548 176.870 -0.051 0.000 1.094 269 L CA 0.870 55.679 54.840 -0.050 0.000 0.790 269 L CB -0.340 41.694 42.059 -0.042 0.000 0.932 269 L HN 0.275 nan 8.230 nan 0.000 0.447 270 E N 0.700 120.879 120.200 -0.035 0.000 2.077 270 E HA -0.201 4.152 4.350 0.006 0.000 0.193 270 E C 2.106 178.680 176.600 -0.044 0.000 0.989 270 E CA 1.103 57.485 56.400 -0.029 0.000 0.800 270 E CB 0.098 29.795 29.700 -0.006 0.000 0.746 270 E HN 0.452 nan 8.360 nan 0.000 0.452 271 L N 0.396 121.582 121.223 -0.062 0.000 2.529 271 L HA 0.220 4.563 4.340 0.006 0.000 0.223 271 L C 0.900 177.694 176.870 -0.126 0.000 1.113 271 L CA -0.270 54.521 54.840 -0.082 0.000 0.861 271 L CB -0.018 41.989 42.059 -0.087 0.000 1.012 271 L HN 0.032 nan 8.230 nan 0.000 0.461 272 A N 1.329 124.066 122.820 -0.138 0.000 2.546 272 A HA 0.418 4.741 4.320 0.006 0.000 0.243 272 A C 0.796 178.283 177.584 -0.160 0.000 1.063 272 A CA 0.073 52.000 52.037 -0.183 0.000 0.757 272 A CB 0.021 18.928 19.000 -0.155 0.000 0.991 272 A HN 0.280 nan 8.150 nan 0.000 0.503 273 A N 4.815 127.512 122.820 -0.204 0.000 2.520 273 A HA 0.427 4.751 4.320 0.006 0.000 0.235 273 A C -0.956 176.555 177.584 -0.120 0.000 1.065 273 A CA -0.582 51.363 52.037 -0.153 0.000 0.764 273 A CB -0.361 18.531 19.000 -0.179 0.000 1.002 273 A HN 0.657 nan 8.150 nan 0.000 0.502 274 P HA -0.259 nan 4.420 nan 0.000 0.216 274 P C 1.248 178.506 177.300 -0.069 0.000 1.157 274 P CA 2.059 65.119 63.100 -0.066 0.000 0.880 274 P CB 0.036 31.708 31.700 -0.047 0.000 0.791 275 E N -0.423 119.733 120.200 -0.073 0.000 2.268 275 E HA -0.154 4.199 4.350 0.006 0.000 0.195 275 E C 1.427 177.974 176.600 -0.089 0.000 0.995 275 E CA 0.866 57.226 56.400 -0.068 0.000 0.836 275 E CB -0.515 29.150 29.700 -0.058 0.000 0.763 275 E HN 0.112 nan 8.360 nan 0.000 0.491 276 K N 0.795 121.117 120.400 -0.129 0.000 2.361 276 K HA 0.101 4.425 4.320 0.006 0.000 0.196 276 K C 1.980 178.503 176.600 -0.129 0.000 1.039 276 K CA 0.214 56.404 56.287 -0.162 0.000 1.001 276 K CB 0.019 32.359 32.500 -0.267 0.000 0.795 276 K HN 0.195 nan 8.250 nan 0.000 0.495 277 R N 1.080 121.519 120.500 -0.102 0.000 2.091 277 R HA -0.159 4.184 4.340 0.006 0.000 0.238 277 R C 2.198 178.465 176.300 -0.055 0.000 1.136 277 R CA 1.472 57.525 56.100 -0.079 0.000 0.959 277 R CB -0.169 30.093 30.300 -0.064 0.000 0.856 277 R HN 0.359 nan 8.270 nan 0.000 0.437 278 E N 1.112 121.284 120.200 -0.046 0.000 2.033 278 E HA -0.271 4.082 4.350 0.006 0.000 0.199 278 E C 1.981 178.571 176.600 -0.017 0.000 1.011 278 E CA 1.654 58.038 56.400 -0.027 0.000 0.815 278 E CB -0.002 29.684 29.700 -0.024 0.000 0.755 278 E HN 0.327 nan 8.360 nan 0.000 0.451 279 E N -0.314 119.868 120.200 -0.030 0.000 2.085 279 E HA -0.184 4.169 4.350 0.006 0.000 0.194 279 E C 2.089 178.691 176.600 0.003 0.000 0.994 279 E CA 1.423 57.814 56.400 -0.016 0.000 0.801 279 E CB 0.132 29.802 29.700 -0.050 0.000 0.743 279 E HN 0.204 nan 8.360 nan 0.000 0.453 280 V N 1.103 120.996 119.914 -0.035 0.000 2.358 280 V HA -0.227 3.897 4.120 0.006 0.000 0.246 280 V C 2.398 178.522 176.094 0.050 0.000 1.047 280 V CA 1.371 63.663 62.300 -0.012 0.000 1.035 280 V CB -0.447 31.328 31.823 -0.079 0.000 0.658 280 V HN 0.323 nan 8.190 nan 0.000 0.452 281 L N 0.901 122.132 121.223 0.014 0.000 2.046 281 L HA -0.083 4.261 4.340 0.006 0.000 0.208 281 L C 2.468 179.356 176.870 0.030 0.000 1.077 281 L CA 2.335 57.183 54.840 0.012 0.000 0.747 281 L CB -0.947 41.108 42.059 -0.007 0.000 0.896 281 L HN 0.227 nan 8.230 nan 0.000 0.432 282 A N -1.415 121.430 122.820 0.043 0.000 1.883 282 A HA -0.311 4.012 4.320 0.006 0.000 0.217 282 A C 2.333 179.960 177.584 0.073 0.000 1.186 282 A CA 1.959 54.025 52.037 0.048 0.000 0.624 282 A CB -1.275 17.757 19.000 0.053 0.000 0.822 282 A HN 0.619 nan 8.150 nan 0.000 0.444 283 Y N 0.300 120.598 120.300 -0.003 0.000 2.181 283 Y HA -0.180 4.374 4.550 0.006 0.000 0.288 283 Y C 2.415 178.320 175.900 0.009 0.000 1.146 283 Y CA 1.924 60.032 58.100 0.013 0.000 1.164 283 Y CB -0.162 38.308 38.460 0.016 0.000 0.982 283 Y HN 0.082 nan 8.280 nan 0.000 0.515 284 V N 0.432 120.398 119.914 0.087 0.000 2.343 284 V HA -0.306 3.818 4.120 0.006 0.000 0.247 284 V C 2.065 178.119 176.094 -0.066 0.000 1.051 284 V CA 2.362 64.662 62.300 0.001 0.000 1.036 284 V CB -0.534 31.299 31.823 0.017 0.000 0.654 284 V HN 0.436 nan 8.190 nan 0.000 0.451 285 E N 0.090 120.262 120.200 -0.046 0.000 2.072 285 E HA -0.166 4.188 4.350 0.006 0.000 0.191 285 E C 2.331 178.887 176.600 -0.073 0.000 0.985 285 E CA 1.227 57.598 56.400 -0.049 0.000 0.801 285 E CB -0.358 29.326 29.700 -0.028 0.000 0.750 285 E HN 0.595 nan 8.360 nan 0.000 0.452 286 A N 1.460 124.219 122.820 -0.101 0.000 1.940 286 A HA -0.165 4.158 4.320 0.006 0.000 0.219 286 A C 2.370 179.854 177.584 -0.166 0.000 1.176 286 A CA 1.780 53.742 52.037 -0.126 0.000 0.631 286 A CB -0.643 18.270 19.000 -0.145 0.000 0.814 286 A HN 0.303 nan 8.150 nan 0.000 0.446 287 A N -0.199 122.472 122.820 -0.248 0.000 1.898 287 A HA -0.130 4.194 4.320 0.006 0.000 0.216 287 A C 2.062 179.587 177.584 -0.099 0.000 1.181 287 A CA 1.658 53.570 52.037 -0.208 0.000 0.620 287 A CB -0.409 18.445 19.000 -0.244 0.000 0.819 287 A HN 0.521 nan 8.150 nan 0.000 0.442 288 K N -0.607 119.743 120.400 -0.082 0.000 2.362 288 K HA -0.044 4.280 4.320 0.006 0.000 0.200 288 K C 1.911 178.488 176.600 -0.037 0.000 1.046 288 K CA 0.842 57.099 56.287 -0.049 0.000 0.952 288 K CB -0.098 32.374 32.500 -0.047 0.000 0.753 288 K HN 0.367 nan 8.250 nan 0.000 0.466 289 R N 0.953 121.427 120.500 -0.044 0.000 2.276 289 R HA 0.022 4.365 4.340 0.006 0.000 0.203 289 R C 0.302 176.588 176.300 -0.024 0.000 1.017 289 R CA 0.581 56.663 56.100 -0.031 0.000 1.010 289 R CB 0.181 30.461 30.300 -0.033 0.000 0.900 289 R HN 0.070 nan 8.270 nan 0.000 0.469 290 K N 0.407 120.791 120.400 -0.026 0.000 2.090 290 K HA 0.123 4.446 4.320 0.006 0.000 0.249 290 K C 0.305 176.904 176.600 -0.001 0.000 0.995 290 K CA -0.300 55.980 56.287 -0.011 0.000 0.914 290 K CB 1.216 33.709 32.500 -0.011 0.000 1.057 290 K HN -0.060 nan 8.250 nan 0.000 0.462 291 T N -2.646 111.913 114.554 0.008 0.000 2.902 291 T HA 0.075 4.428 4.350 0.006 0.000 0.280 291 T C 1.156 175.872 174.700 0.027 0.000 0.992 291 T CA -0.643 61.466 62.100 0.015 0.000 1.015 291 T CB 1.483 70.359 68.868 0.013 0.000 1.044 291 T HN 0.746 nan 8.240 nan 0.000 0.520 292 E N 0.397 120.617 120.200 0.034 0.000 2.077 292 E HA -0.134 4.219 4.350 0.006 0.000 0.193 292 E C 1.821 178.452 176.600 0.052 0.000 0.989 292 E CA 1.069 57.496 56.400 0.046 0.000 0.800 292 E CB -0.278 29.451 29.700 0.049 0.000 0.746 292 E HN 0.773 nan 8.360 nan 0.000 0.452 293 I N 1.285 121.883 120.570 0.046 0.000 2.118 293 I HA -0.313 3.860 4.170 0.006 0.000 0.241 293 I C 2.389 178.536 176.117 0.050 0.000 1.070 293 I CA 1.681 63.011 61.300 0.049 0.000 1.327 293 I CB -0.300 37.724 38.000 0.040 0.000 1.034 293 I HN 0.178 nan 8.210 nan 0.000 0.405 294 E N 0.381 120.606 120.200 0.042 0.000 2.118 294 E HA -0.237 4.116 4.350 0.006 0.000 0.195 294 E C 2.302 178.937 176.600 0.058 0.000 0.992 294 E CA 1.127 57.553 56.400 0.043 0.000 0.804 294 E CB -0.112 29.606 29.700 0.030 0.000 0.741 294 E HN 0.466 nan 8.360 nan 0.000 0.458 295 R N 0.316 120.853 120.500 0.062 0.000 2.193 295 R HA -0.042 4.302 4.340 0.006 0.000 0.213 295 R C 2.139 178.502 176.300 0.105 0.000 1.055 295 R CA 0.534 56.685 56.100 0.086 0.000 0.995 295 R CB 0.007 30.354 30.300 0.077 0.000 0.893 295 R HN 0.157 nan 8.270 nan 0.000 0.459 296 Q N 0.736 120.589 119.800 0.087 0.000 2.451 296 Q HA 0.139 4.482 4.340 0.006 0.000 0.206 296 Q C -0.137 175.913 176.000 0.082 0.000 0.947 296 Q CA -0.117 55.739 55.803 0.088 0.000 0.937 296 Q CB 0.429 29.213 28.738 0.076 0.000 1.025 296 Q HN 0.228 nan 8.270 nan 0.000 0.511 297 A N 0.922 123.789 122.820 0.077 0.000 2.425 297 A HA 0.212 4.536 4.320 0.006 0.000 0.242 297 A C -0.479 177.148 177.584 0.072 0.000 1.077 297 A CA 0.083 52.161 52.037 0.068 0.000 0.781 297 A CB 0.400 19.436 19.000 0.060 0.000 1.020 297 A HN 0.410 nan 8.150 nan 0.000 0.494 298 E N -0.757 119.478 120.200 0.059 0.000 2.343 298 E HA 0.536 4.889 4.350 0.006 0.000 0.270 298 E C 0.549 177.175 176.600 0.043 0.000 0.895 298 E CA -0.301 56.131 56.400 0.052 0.000 0.767 298 E CB 1.814 31.542 29.700 0.047 0.000 1.248 298 E HN 1.341 nan 8.360 nan 0.000 0.440 299 G N 1.655 110.477 108.800 0.038 0.000 2.284 299 G HA2 -0.313 3.650 3.960 0.006 0.000 0.247 299 G HA3 -0.313 3.650 3.960 0.006 0.000 0.247 299 G C 0.418 175.340 174.900 0.037 0.000 1.012 299 G CA 0.124 45.244 45.100 0.032 0.000 0.618 299 G HN 0.417 nan 8.290 nan 0.000 0.521 300 R N 1.315 121.845 120.500 0.050 0.000 2.784 300 R HA 0.324 4.667 4.340 0.006 0.000 0.266 300 R C 0.705 177.047 176.300 0.070 0.000 1.044 300 R CA -0.069 56.067 56.100 0.061 0.000 1.151 300 R CB 0.300 30.646 30.300 0.076 0.000 1.037 300 R HN 0.500 nan 8.270 nan 0.000 0.478 301 E N 2.068 122.313 120.200 0.075 0.000 2.529 301 E HA -0.113 4.241 4.350 0.006 0.000 0.259 301 E C -0.791 175.894 176.600 0.142 0.000 0.966 301 E CA 0.472 56.923 56.400 0.086 0.000 0.937 301 E CB 0.515 30.271 29.700 0.094 0.000 0.923 301 E HN 0.198 nan 8.360 nan 0.000 0.468 302 K N 3.176 123.655 120.400 0.131 0.000 2.349 302 K HA 0.128 4.451 4.320 0.006 0.000 0.289 302 K C -0.213 176.620 176.600 0.387 0.000 1.064 302 K CA -0.037 56.396 56.287 0.244 0.000 0.947 302 K CB 1.019 33.607 32.500 0.147 0.000 1.007 302 K HN 0.463 nan 8.250 nan 0.000 0.478 303 T N -0.797 114.076 114.554 0.531 0.000 2.916 303 T HA 0.856 5.209 4.350 0.006 0.000 0.292 303 T C 0.035 175.047 174.700 0.521 0.000 1.055 303 T CA -0.896 61.541 62.100 0.562 0.000 1.009 303 T CB 2.156 71.357 68.868 0.555 0.000 1.118 303 T HN 0.627 nan 8.240 nan 0.000 0.497 304 G N -0.100 108.771 108.800 0.118 0.000 2.466 304 G HA2 0.535 4.499 3.960 0.006 0.000 0.291 304 G HA3 0.535 4.499 3.960 0.006 0.000 0.291 304 G C -2.029 172.695 174.900 -0.294 0.000 1.460 304 G CA -0.584 44.451 45.100 -0.108 0.000 0.791 304 G HN 1.058 nan 8.290 nan 0.000 0.505 305 V N 0.610 120.316 119.914 -0.348 0.000 2.638 305 V HA 0.563 4.686 4.120 0.006 0.000 0.306 305 V C -0.705 174.982 176.094 -0.678 0.000 1.052 305 V CA -0.839 61.175 62.300 -0.476 0.000 0.885 305 V CB 1.706 33.258 31.823 -0.451 0.000 0.999 305 V HN 0.846 nan 8.190 nan 0.000 0.424 306 F N 4.546 123.591 119.950 -1.509 0.000 2.504 306 F HA 0.389 4.919 4.527 0.005 0.000 0.369 306 F C 0.945 176.270 175.800 -0.793 0.000 1.082 306 F CA -0.696 56.285 58.000 -1.698 0.000 1.216 306 F CB 0.700 38.646 39.000 -1.757 0.000 1.108 306 F HN 0.441 nan 8.300 nan 0.000 0.554 307 L N 5.481 126.101 121.223 -1.004 0.000 2.478 307 L HA 0.130 4.473 4.340 0.006 0.000 0.223 307 L C 1.713 177.999 176.870 -0.973 0.000 1.140 307 L CA 0.687 55.068 54.840 -0.766 0.000 0.842 307 L CB -0.944 40.849 42.059 -0.442 0.000 0.953 307 L HN 1.045 nan 8.230 nan 0.000 0.452 308 G N 0.393 108.057 108.800 -1.893 0.000 2.147 308 G HA2 -0.198 3.765 3.960 0.006 0.000 0.244 308 G HA3 -0.198 3.765 3.960 0.006 0.000 0.244 308 G C 0.129 174.715 174.900 -0.524 0.000 1.005 308 G CA 0.165 44.528 45.100 -1.229 0.000 0.713 308 G HN 0.558 nan 8.290 nan 0.000 0.515 309 A N -0.882 121.624 122.820 -0.523 0.000 2.413 309 A HA 0.929 5.252 4.320 0.006 0.000 0.307 309 A C -0.895 176.607 177.584 -0.138 0.000 1.087 309 A CA -0.803 51.148 52.037 -0.144 0.000 0.750 309 A CB 1.455 20.372 19.000 -0.139 0.000 1.296 309 A HN 0.735 nan 8.150 nan 0.000 0.423 310 Y N -0.366 119.996 120.300 0.103 0.000 2.536 310 Y HA 0.687 5.241 4.550 0.006 0.000 0.347 310 Y C 0.497 176.464 175.900 0.112 0.000 1.000 310 Y CA -0.172 58.016 58.100 0.146 0.000 1.051 310 Y CB 2.413 40.959 38.460 0.144 0.000 1.259 310 Y HN 0.957 nan 8.280 nan 0.000 0.468 311 A N 2.220 125.208 122.820 0.281 0.000 2.384 311 A HA 0.825 5.148 4.320 0.006 0.000 0.312 311 A C -1.851 175.894 177.584 0.270 0.000 1.113 311 A CA -0.730 51.451 52.037 0.240 0.000 0.779 311 A CB 1.107 20.233 19.000 0.210 0.000 1.307 311 A HN 0.561 nan 8.150 nan 0.000 0.436 312 L N 2.332 123.699 121.223 0.240 0.000 2.282 312 L HA 0.308 4.652 4.340 0.006 0.000 0.288 312 L C 0.274 177.276 176.870 0.220 0.000 1.033 312 L CA -0.399 54.554 54.840 0.189 0.000 0.807 312 L CB 0.829 42.951 42.059 0.104 0.000 1.209 312 L HN 0.830 nan 8.230 nan 0.000 0.423 313 N N 6.653 125.481 118.700 0.214 0.000 2.438 313 N HA 0.069 4.813 4.740 0.006 0.000 0.267 313 N C -1.662 173.792 175.510 -0.092 0.000 1.222 313 N CA -1.055 52.072 53.050 0.128 0.000 0.930 313 N CB 1.490 40.080 38.487 0.171 0.000 1.083 313 N HN 0.347 nan 8.380 nan 0.000 0.476 314 P HA -0.021 nan 4.420 nan 0.000 0.233 314 P C 0.535 177.804 177.300 -0.052 0.000 1.167 314 P CA 0.598 63.576 63.100 -0.203 0.000 0.770 314 P CB 0.323 31.813 31.700 -0.349 0.000 0.837 315 A N 0.491 123.206 122.820 -0.175 0.000 1.911 315 A HA -0.020 4.304 4.320 0.006 0.000 0.212 315 A C 2.195 179.588 177.584 -0.318 0.000 1.189 315 A CA 1.935 53.736 52.037 -0.393 0.000 0.639 315 A CB -1.374 16.809 19.000 -1.362 0.000 0.839 315 A HN 0.328 nan 8.150 nan 0.000 0.449 316 T N -4.799 109.636 114.554 -0.199 0.000 3.037 316 T HA 0.382 4.736 4.350 0.006 0.000 0.252 316 T C 1.442 176.173 174.700 0.051 0.000 1.073 316 T CA 1.195 63.300 62.100 0.007 0.000 1.091 316 T CB 0.015 68.921 68.868 0.064 0.000 0.935 316 T HN 1.678 nan 8.240 nan 0.000 0.488 317 G N 2.427 111.246 108.800 0.030 0.000 2.179 317 G HA2 -0.259 3.704 3.960 0.006 0.000 0.257 317 G HA3 -0.259 3.704 3.960 0.006 0.000 0.257 317 G C -0.210 174.728 174.900 0.063 0.000 1.010 317 G CA 0.414 45.542 45.100 0.047 0.000 0.736 317 G HN 1.055 nan 8.290 nan 0.000 0.513 318 E N -0.502 119.745 120.200 0.079 0.000 2.202 318 E HA 0.587 4.940 4.350 0.006 0.000 0.272 318 E C 0.145 176.823 176.600 0.131 0.000 0.951 318 E CA -1.254 55.203 56.400 0.096 0.000 0.813 318 E CB 1.448 31.209 29.700 0.103 0.000 1.151 318 E HN 0.285 nan 8.360 nan 0.000 0.398 319 R N 3.535 124.112 120.500 0.127 0.000 2.347 319 R HA 0.275 4.618 4.340 0.006 0.000 0.304 319 R C -0.127 176.335 176.300 0.269 0.000 1.072 319 R CA -0.184 56.023 56.100 0.178 0.000 0.980 319 R CB 0.217 30.560 30.300 0.073 0.000 0.986 319 R HN 0.674 nan 8.270 nan 0.000 0.448 320 I N 2.104 122.880 120.570 0.344 0.000 2.608 320 I HA 0.622 4.795 4.170 0.006 0.000 0.295 320 I C -2.649 173.672 176.117 0.340 0.000 1.049 320 I CA -3.321 58.180 61.300 0.336 0.000 1.063 320 I CB 2.579 40.726 38.000 0.245 0.000 1.248 320 I HN 0.484 nan 8.210 nan 0.000 0.424 321 P HA 0.336 nan 4.420 nan 0.000 0.274 321 P C -0.807 176.629 177.300 0.226 0.000 1.231 321 P CA 0.002 63.078 63.100 -0.039 0.000 0.790 321 P CB 1.268 32.887 31.700 -0.136 0.000 0.951 322 I N 1.997 122.668 120.570 0.168 0.000 2.339 322 I HA 0.346 4.519 4.170 0.006 0.000 0.290 322 I C -0.216 176.022 176.117 0.202 0.000 0.994 322 I CA -0.447 60.951 61.300 0.162 0.000 1.191 322 I CB 0.786 38.779 38.000 -0.011 0.000 1.343 322 I HN 0.275 nan 8.210 nan 0.000 0.458 323 W N 3.820 125.141 121.300 0.035 0.000 2.736 323 W HA 0.585 5.248 4.660 0.005 0.000 0.355 323 W C 0.304 176.771 176.519 -0.087 0.000 1.102 323 W CA -0.580 56.766 57.345 0.002 0.000 1.164 323 W CB 1.685 31.172 29.460 0.045 0.000 1.422 323 W HN 0.195 nan 8.180 nan 0.000 0.572 324 T N 0.954 115.579 114.554 0.117 0.000 2.885 324 T HA 0.838 5.192 4.350 0.006 0.000 0.285 324 T C -1.210 173.540 174.700 0.084 0.000 1.019 324 T CA -0.500 61.632 62.100 0.055 0.000 1.010 324 T CB 0.752 69.637 68.868 0.028 0.000 1.022 324 T HN 0.660 nan 8.240 nan 0.000 0.466 325 A N 3.339 126.232 122.820 0.122 0.000 2.540 325 A HA 0.514 4.837 4.320 0.006 0.000 0.297 325 A C 0.517 178.264 177.584 0.272 0.000 1.056 325 A CA -0.553 51.638 52.037 0.256 0.000 0.700 325 A CB 1.193 20.273 19.000 0.135 0.000 1.280 325 A HN 0.762 nan 8.150 nan 0.000 0.398 326 D N 0.482 121.166 120.400 0.474 0.000 2.239 326 D HA -0.219 4.424 4.640 0.006 0.000 0.202 326 D C 1.421 177.860 176.300 0.231 0.000 0.993 326 D CA 2.652 56.820 54.000 0.281 0.000 0.874 326 D CB -0.142 40.812 40.800 0.257 0.000 0.922 326 D HN 0.810 nan 8.370 nan 0.000 0.464 327 Y N -0.773 119.611 120.300 0.142 0.000 2.561 327 Y HA 0.182 4.735 4.550 0.005 0.000 0.291 327 Y C 0.439 176.375 175.900 0.059 0.000 1.141 327 Y CA -0.132 58.024 58.100 0.093 0.000 1.303 327 Y CB -0.174 38.340 38.460 0.090 0.000 1.015 327 Y HN -0.307 nan 8.280 nan 0.000 0.547 328 V N 3.967 123.726 119.914 -0.258 0.000 2.383 328 V HA 0.207 4.331 4.120 0.006 0.000 0.275 328 V C -0.017 176.072 176.094 -0.009 0.000 1.036 328 V CA -0.957 61.217 62.300 -0.210 0.000 0.889 328 V CB 1.173 32.797 31.823 -0.331 0.000 0.985 328 V HN 0.231 nan 8.190 nan 0.000 0.459 329 L N 4.237 125.481 121.223 0.034 0.000 2.307 329 L HA 0.388 4.731 4.340 0.006 0.000 0.282 329 L C 0.946 177.892 176.870 0.126 0.000 1.051 329 L CA -0.469 54.422 54.840 0.084 0.000 0.804 329 L CB 1.066 43.162 42.059 0.062 0.000 1.197 329 L HN 0.593 nan 8.230 nan 0.000 0.431 330 F N 2.214 122.163 119.950 -0.001 0.000 2.234 330 F HA 0.001 4.531 4.527 0.005 0.000 0.299 330 F C 1.881 177.663 175.800 -0.030 0.000 1.087 330 F CA 1.328 59.322 58.000 -0.010 0.000 1.340 330 F CB 0.008 38.997 39.000 -0.018 0.000 1.031 330 F HN 0.532 nan 8.300 nan 0.000 0.500 331 G N -1.513 107.197 108.800 -0.150 0.000 2.920 331 G HA2 0.124 4.088 3.960 0.006 0.000 0.208 331 G HA3 0.124 4.088 3.960 0.006 0.000 0.208 331 G C 0.160 174.931 174.900 -0.215 0.000 1.159 331 G CA 0.577 45.525 45.100 -0.252 0.000 0.784 331 G HN 0.418 nan 8.290 nan 0.000 0.535 332 Y N -0.738 119.470 120.300 -0.153 0.000 2.409 332 Y HA 0.619 5.173 4.550 0.006 0.000 0.339 332 Y C 1.280 177.116 175.900 -0.107 0.000 1.033 332 Y CA -1.359 56.674 58.100 -0.112 0.000 1.094 332 Y CB 0.503 38.943 38.460 -0.032 0.000 1.210 332 Y HN 0.991 nan 8.280 nan 0.000 0.456 333 G N 1.000 109.710 108.800 -0.149 0.000 2.611 333 G HA2 -0.219 3.744 3.960 0.006 0.000 0.301 333 G HA3 -0.219 3.744 3.960 0.006 0.000 0.301 333 G C 1.094 175.921 174.900 -0.123 0.000 1.233 333 G CA 1.556 46.576 45.100 -0.134 0.000 0.993 333 G HN 2.349 nan 8.290 nan 0.000 0.553 334 T N -1.827 112.729 114.554 0.003 0.000 3.105 334 T HA 0.490 4.843 4.350 0.006 0.000 0.253 334 T C 2.206 176.912 174.700 0.010 0.000 1.047 334 T CA 1.404 63.496 62.100 -0.013 0.000 0.944 334 T CB 0.328 69.249 68.868 0.089 0.000 1.016 334 T HN 2.755 nan 8.240 nan 0.000 0.544 335 G N 0.688 109.490 108.800 0.004 0.000 2.148 335 G HA2 0.090 4.053 3.960 0.006 0.000 0.254 335 G HA3 0.090 4.053 3.960 0.006 0.000 0.254 335 G C 0.149 175.216 174.900 0.279 0.000 0.981 335 G CA -0.215 44.969 45.100 0.139 0.000 0.670 335 G HN 1.417 nan 8.290 nan 0.000 0.528 336 A N -0.616 122.296 122.820 0.153 0.000 2.520 336 A HA 0.895 5.218 4.320 0.006 0.000 0.298 336 A C -0.360 177.201 177.584 -0.038 0.000 1.051 336 A CA -0.234 51.824 52.037 0.034 0.000 0.690 336 A CB 1.428 20.433 19.000 0.009 0.000 1.281 336 A HN 1.754 nan 8.150 nan 0.000 0.402 337 I N -0.566 119.918 120.570 -0.143 0.000 2.785 337 I HA 0.784 4.957 4.170 0.006 0.000 0.302 337 I C -0.191 175.748 176.117 -0.297 0.000 1.069 337 I CA -1.218 59.971 61.300 -0.185 0.000 1.045 337 I CB 2.221 40.100 38.000 -0.202 0.000 1.236 337 I HN 0.805 nan 8.210 nan 0.000 0.429 338 M N 3.440 122.860 119.600 -0.300 0.000 2.144 338 M HA 0.783 5.266 4.480 0.006 0.000 0.356 338 M C -0.586 175.496 176.300 -0.364 0.000 1.217 338 M CA -0.234 54.833 55.300 -0.389 0.000 1.087 338 M CB 1.394 33.832 32.600 -0.271 0.000 1.609 338 M HN 0.754 nan 8.290 nan 0.000 0.467 339 A N 3.889 126.363 122.820 -0.578 0.000 2.301 339 A HA 0.644 4.968 4.320 0.006 0.000 0.298 339 A C -0.365 176.926 177.584 -0.489 0.000 1.185 339 A CA -0.705 50.905 52.037 -0.713 0.000 0.830 339 A CB 0.742 18.751 19.000 -1.653 0.000 1.112 339 A HN 0.807 nan 8.150 nan 0.000 0.508 340 V N 5.585 125.362 119.914 -0.227 0.000 2.383 340 V HA 0.207 4.331 4.120 0.006 0.000 0.261 340 V C -1.956 174.146 176.094 0.013 0.000 0.987 340 V CA -0.792 61.477 62.300 -0.052 0.000 0.853 340 V CB 1.142 32.988 31.823 0.038 0.000 1.095 340 V HN 0.771 nan 8.190 nan 0.000 0.461 341 P HA -0.128 nan 4.420 nan 0.000 0.219 341 P C 1.588 178.971 177.300 0.139 0.000 1.146 341 P CA 1.478 64.655 63.100 0.128 0.000 0.808 341 P CB 0.389 32.178 31.700 0.148 0.000 0.779 342 A N -0.974 121.832 122.820 -0.023 0.000 2.067 342 A HA -0.162 4.162 4.320 0.006 0.000 0.219 342 A C 1.589 178.850 177.584 -0.539 0.000 1.158 342 A CA 1.356 53.225 52.037 -0.280 0.000 0.661 342 A CB -1.023 17.690 19.000 -0.478 0.000 0.801 342 A HN 0.267 nan 8.150 nan 0.000 0.452 343 H N -2.305 116.827 119.070 0.103 0.000 3.233 343 H HA 0.166 4.725 4.556 0.005 0.000 0.263 343 H C -0.878 174.450 175.328 0.000 0.000 1.168 343 H CA -0.020 56.053 56.048 0.042 0.000 1.159 343 H CB 0.723 30.501 29.762 0.028 0.000 1.593 343 H HN 0.445 nan 8.280 nan 0.000 0.580 344 D N 1.087 121.542 120.400 0.091 0.000 2.620 344 D HA 0.060 4.703 4.640 0.006 0.000 0.252 344 D C 0.971 177.320 176.300 0.083 0.000 1.207 344 D CA -0.395 53.642 54.000 0.060 0.000 0.884 344 D CB 2.358 43.184 40.800 0.043 0.000 1.262 344 D HN -0.118 nan 8.370 nan 0.000 0.552 345 Q N 3.504 123.337 119.800 0.055 0.000 2.170 345 Q HA -0.096 4.247 4.340 0.006 0.000 0.203 345 Q C 1.536 177.598 176.000 0.102 0.000 0.976 345 Q CA 1.703 57.549 55.803 0.071 0.000 0.858 345 Q CB 0.201 28.943 28.738 0.007 0.000 0.907 345 Q HN 0.482 nan 8.270 nan 0.000 0.433 346 R N -0.030 120.499 120.500 0.049 0.000 2.081 346 R HA -0.104 4.239 4.340 0.006 0.000 0.235 346 R C 1.738 178.023 176.300 -0.025 0.000 1.131 346 R CA 1.457 57.540 56.100 -0.029 0.000 0.960 346 R CB -0.253 30.017 30.300 -0.049 0.000 0.856 346 R HN 0.322 nan 8.270 nan 0.000 0.436 347 D N -0.109 120.335 120.400 0.073 0.000 2.144 347 D HA -0.170 4.473 4.640 0.006 0.000 0.200 347 D C 1.612 178.048 176.300 0.227 0.000 0.978 347 D CA 0.963 55.059 54.000 0.159 0.000 0.833 347 D CB -0.360 40.478 40.800 0.064 0.000 0.961 347 D HN 0.207 nan 8.370 nan 0.000 0.470 348 Y N 1.971 122.318 120.300 0.078 0.000 2.081 348 Y HA -0.259 4.294 4.550 0.005 0.000 0.280 348 Y C 2.136 178.070 175.900 0.056 0.000 1.163 348 Y CA 2.005 60.139 58.100 0.058 0.000 1.135 348 Y CB -0.037 38.431 38.460 0.013 0.000 0.970 348 Y HN -0.036 nan 8.280 nan 0.000 0.498 349 E N -0.868 119.428 120.200 0.161 0.000 2.106 349 E HA -0.209 4.144 4.350 0.006 0.000 0.192 349 E C 2.008 178.590 176.600 -0.030 0.000 0.984 349 E CA 1.169 57.601 56.400 0.054 0.000 0.806 349 E CB -0.428 29.324 29.700 0.086 0.000 0.750 349 E HN 0.526 nan 8.360 nan 0.000 0.458 350 F N 1.417 121.314 119.950 -0.089 0.000 2.102 350 F HA -0.219 4.311 4.527 0.005 0.000 0.298 350 F C 2.248 177.999 175.800 -0.083 0.000 1.105 350 F CA 1.551 59.535 58.000 -0.028 0.000 1.239 350 F CB -0.204 38.812 39.000 0.027 0.000 0.991 350 F HN -0.041 nan 8.300 nan 0.000 0.474 351 A N 0.406 123.275 122.820 0.082 0.000 1.898 351 A HA -0.146 4.178 4.320 0.006 0.000 0.216 351 A C 2.323 179.743 177.584 -0.273 0.000 1.181 351 A CA 1.265 53.229 52.037 -0.122 0.000 0.620 351 A CB -0.571 18.449 19.000 0.033 0.000 0.819 351 A HN 0.293 nan 8.150 nan 0.000 0.442 352 R N -0.143 120.148 120.500 -0.349 0.000 2.081 352 R HA -0.127 4.217 4.340 0.006 0.000 0.235 352 R C 2.211 178.309 176.300 -0.338 0.000 1.131 352 R CA 1.719 57.606 56.100 -0.354 0.000 0.960 352 R CB -0.555 29.509 30.300 -0.394 0.000 0.856 352 R HN 0.692 nan 8.270 nan 0.000 0.436 353 K N -0.331 119.813 120.400 -0.427 0.000 2.057 353 K HA -0.093 4.230 4.320 0.006 0.000 0.206 353 K C 1.051 177.188 176.600 -0.771 0.000 1.050 353 K CA 1.337 57.240 56.287 -0.640 0.000 0.935 353 K CB 0.036 32.002 32.500 -0.890 0.000 0.715 353 K HN 0.026 nan 8.250 nan 0.000 0.439 354 F N -0.150 119.502 119.950 -0.497 0.000 2.664 354 F HA 0.307 4.837 4.527 0.005 0.000 0.303 354 F C 0.920 176.522 175.800 -0.331 0.000 1.092 354 F CA 0.244 57.970 58.000 -0.457 0.000 1.305 354 F CB 1.119 39.614 39.000 -0.842 0.000 1.054 354 F HN 0.241 nan 8.300 nan 0.000 0.565 355 G N 1.432 110.118 108.800 -0.191 0.000 2.225 355 G HA2 -0.283 3.681 3.960 0.006 0.000 0.264 355 G HA3 -0.283 3.681 3.960 0.006 0.000 0.264 355 G C -0.120 174.697 174.900 -0.139 0.000 1.060 355 G CA -0.207 44.811 45.100 -0.137 0.000 0.833 355 G HN 0.291 nan 8.290 nan 0.000 0.498 356 L N -0.060 121.035 121.223 -0.214 0.000 2.360 356 L HA 0.531 4.874 4.340 0.006 0.000 0.271 356 L C -1.646 175.185 176.870 -0.065 0.000 1.057 356 L CA -2.450 52.262 54.840 -0.213 0.000 0.803 356 L CB 1.147 42.859 42.059 -0.579 0.000 1.207 356 L HN -0.092 nan 8.230 nan 0.000 0.445 357 P HA 0.187 nan 4.420 nan 0.000 0.269 357 P C -0.963 176.391 177.300 0.089 0.000 1.209 357 P CA 0.150 63.284 63.100 0.058 0.000 0.776 357 P CB 0.495 32.249 31.700 0.090 0.000 0.876 358 I N 2.389 122.991 120.570 0.054 0.000 2.389 358 I HA 0.394 4.568 4.170 0.006 0.000 0.288 358 I C 0.246 176.401 176.117 0.063 0.000 0.999 358 I CA -0.644 60.691 61.300 0.059 0.000 1.129 358 I CB 1.671 39.687 38.000 0.028 0.000 1.288 358 I HN 0.204 nan 8.210 nan 0.000 0.444 359 K N 7.035 127.478 120.400 0.071 0.000 2.545 359 K HA 0.327 4.650 4.320 0.006 0.000 0.252 359 K C -0.824 175.832 176.600 0.093 0.000 0.948 359 K CA -0.782 55.556 56.287 0.085 0.000 0.827 359 K CB 1.713 34.282 32.500 0.115 0.000 1.128 359 K HN 0.502 nan 8.250 nan 0.000 0.429 360 K N 3.796 124.250 120.400 0.091 0.000 2.349 360 K HA 0.110 4.433 4.320 0.006 0.000 0.288 360 K C 0.360 177.104 176.600 0.240 0.000 1.058 360 K CA -0.142 56.242 56.287 0.161 0.000 0.953 360 K CB 0.776 33.337 32.500 0.102 0.000 0.997 360 K HN 0.500 nan 8.250 nan 0.000 0.477 361 V N 2.243 122.413 119.914 0.428 0.000 3.398 361 V HA 0.331 4.454 4.120 0.006 0.000 0.298 361 V C -0.103 176.014 176.094 0.039 0.000 1.496 361 V CA -0.457 61.952 62.300 0.182 0.000 1.044 361 V CB 0.393 32.313 31.823 0.161 0.000 0.880 361 V HN 0.489 nan 8.190 nan 0.000 0.443 362 I N 2.072 122.645 120.570 0.006 0.000 2.411 362 I HA 0.626 4.799 4.170 0.006 0.000 0.284 362 I C -0.340 175.843 176.117 0.111 0.000 1.012 362 I CA -0.436 60.819 61.300 -0.075 0.000 1.119 362 I CB 1.358 39.165 38.000 -0.322 0.000 1.261 362 I HN 0.192 nan 8.210 nan 0.000 0.448 363 E N 5.721 125.936 120.200 0.025 0.000 2.301 363 E HA 0.260 4.613 4.350 0.006 0.000 0.275 363 E C -0.087 176.425 176.600 -0.147 0.000 1.030 363 E CA -0.471 55.894 56.400 -0.060 0.000 0.852 363 E CB 1.024 30.693 29.700 -0.051 0.000 1.060 363 E HN 0.407 nan 8.360 nan 0.000 0.401 364 R N 4.712 124.967 120.500 -0.409 0.000 2.347 364 R HA 0.232 4.576 4.340 0.006 0.000 0.304 364 R C -2.088 174.114 176.300 -0.164 0.000 1.072 364 R CA -1.532 54.286 56.100 -0.469 0.000 0.980 364 R CB 0.283 30.148 30.300 -0.725 0.000 0.986 364 R HN 0.402 nan 8.270 nan 0.000 0.448 365 P HA 0.117 nan 4.420 nan 0.000 0.269 365 P C 0.222 177.502 177.300 -0.034 0.000 1.209 365 P CA 0.489 63.572 63.100 -0.027 0.000 0.776 365 P CB 1.078 32.784 31.700 0.010 0.000 0.876 366 G N 1.619 110.401 108.800 -0.030 0.000 2.650 366 G HA2 -0.243 3.721 3.960 0.006 0.000 0.264 366 G HA3 -0.243 3.721 3.960 0.006 0.000 0.264 366 G C -0.255 174.620 174.900 -0.040 0.000 1.263 366 G CA -0.125 44.959 45.100 -0.027 0.000 0.960 366 G HN 0.708 nan 8.290 nan 0.000 0.548 367 E N 2.859 123.032 120.200 -0.045 0.000 2.259 367 E HA 0.497 4.851 4.350 0.006 0.000 0.281 367 E C -2.105 174.445 176.600 -0.083 0.000 1.037 367 E CA -1.622 54.746 56.400 -0.052 0.000 0.854 367 E CB 0.905 30.580 29.700 -0.042 0.000 1.051 367 E HN 0.210 nan 8.360 nan 0.000 0.409 368 P HA 0.000 nan 4.420 nan 0.000 0.270 368 P C -0.528 176.706 177.300 -0.110 0.000 1.223 368 P CA -0.052 62.988 63.100 -0.100 0.000 0.785 368 P CB 0.479 32.139 31.700 -0.066 0.000 0.923 369 L N 2.864 124.002 121.223 -0.141 0.000 2.461 369 L HA 0.186 4.529 4.340 0.006 0.000 0.272 369 L C -1.465 175.367 176.870 -0.063 0.000 1.197 369 L CA -1.498 53.269 54.840 -0.122 0.000 0.836 369 L CB -0.467 41.513 42.059 -0.132 0.000 1.105 369 L HN 0.330 nan 8.230 nan 0.000 0.477 370 P HA 0.147 nan 4.420 nan 0.000 0.274 370 P C -0.934 176.360 177.300 -0.009 0.000 1.246 370 P CA -0.372 62.714 63.100 -0.024 0.000 0.795 370 P CB 0.982 32.671 31.700 -0.018 0.000 1.006 371 E N 1.416 121.615 120.200 -0.002 0.000 2.218 371 E HA 0.349 4.702 4.350 0.006 0.000 0.263 371 E C -1.875 174.731 176.600 0.010 0.000 0.879 371 E CA -1.553 54.852 56.400 0.008 0.000 0.762 371 E CB 1.390 31.094 29.700 0.006 0.000 1.166 371 E HN 0.444 nan 8.360 nan 0.000 0.415 372 P HA 0.268 nan 4.420 nan 0.000 0.276 372 P C -0.448 176.879 177.300 0.045 0.000 1.252 372 P CA -0.777 62.344 63.100 0.034 0.000 0.802 372 P CB 0.859 32.582 31.700 0.038 0.000 1.035 373 L N 1.966 123.234 121.223 0.075 0.000 2.319 373 L HA 0.082 4.425 4.340 0.006 0.000 0.280 373 L C 1.345 178.293 176.870 0.130 0.000 1.099 373 L CA 0.617 55.504 54.840 0.080 0.000 0.828 373 L CB 0.177 42.303 42.059 0.111 0.000 1.150 373 L HN 0.328 nan 8.230 nan 0.000 0.442 374 E N 4.510 124.719 120.200 0.015 0.000 2.452 374 E HA 0.101 4.454 4.350 0.006 0.000 0.197 374 E C -0.086 176.340 176.600 -0.291 0.000 1.022 374 E CA 0.227 56.628 56.400 0.001 0.000 0.890 374 E CB 0.378 30.070 29.700 -0.013 0.000 0.918 374 E HN 0.633 nan 8.360 nan 0.000 0.496 375 R N -1.317 118.846 120.500 -0.561 0.000 2.716 375 R HA 0.661 5.005 4.340 0.006 0.000 0.271 375 R C -0.954 174.934 176.300 -0.686 0.000 1.028 375 R CA -0.737 54.808 56.100 -0.925 0.000 0.883 375 R CB 0.739 30.798 30.300 -0.403 0.000 1.250 375 R HN -0.112 nan 8.270 nan 0.000 0.465 376 A N 1.192 123.676 122.820 -0.560 0.000 2.462 376 A HA 0.203 4.527 4.320 0.006 0.000 0.243 376 A C -1.140 176.425 177.584 -0.032 0.000 1.076 376 A CA -0.149 51.780 52.037 -0.180 0.000 0.773 376 A CB -0.046 18.922 19.000 -0.052 0.000 1.010 376 A HN 0.592 nan 8.150 nan 0.000 0.493 377 Y N 1.527 121.800 120.300 -0.046 0.000 2.454 377 Y HA 0.338 4.891 4.550 0.006 0.000 0.345 377 Y C 0.724 176.727 175.900 0.172 0.000 0.970 377 Y CA -0.272 57.869 58.100 0.068 0.000 1.204 377 Y CB 0.694 39.225 38.460 0.118 0.000 1.122 377 Y HN 0.832 nan 8.280 nan 0.000 0.514 378 E N 2.846 122.788 120.200 -0.430 0.000 2.481 378 E HA 0.039 4.393 4.350 0.006 0.000 0.198 378 E C -0.224 176.117 176.600 -0.433 0.000 1.027 378 E CA 0.107 56.323 56.400 -0.307 0.000 0.900 378 E CB 0.629 30.234 29.700 -0.159 0.000 0.993 378 E HN 0.632 nan 8.360 nan 0.000 0.482 379 E N 1.152 120.865 120.200 -0.812 0.000 2.280 379 E HA 0.225 4.578 4.350 0.006 0.000 0.261 379 E C -2.453 173.926 176.600 -0.369 0.000 1.088 379 E CA -2.167 53.932 56.400 -0.503 0.000 0.915 379 E CB 0.286 29.783 29.700 -0.338 0.000 1.141 379 E HN -0.132 nan 8.360 nan 0.000 0.433 380 P HA 0.235 nan 4.420 nan 0.000 0.269 380 P C -0.359 177.001 177.300 0.099 0.000 1.215 380 P CA 0.115 63.193 63.100 -0.036 0.000 0.780 380 P CB 0.851 32.538 31.700 -0.023 0.000 0.898 381 G N 0.839 109.695 108.800 0.092 0.000 2.726 381 G HA2 0.524 4.488 3.960 0.006 0.000 0.198 381 G HA3 0.524 4.488 3.960 0.006 0.000 0.198 381 G C -1.684 173.238 174.900 0.036 0.000 1.195 381 G CA -0.345 44.827 45.100 0.119 0.000 0.951 381 G HN 0.364 nan 8.290 nan 0.000 0.532 382 I N 1.420 122.000 120.570 0.018 0.000 2.433 382 I HA 0.417 4.590 4.170 0.006 0.000 0.292 382 I C 0.248 176.350 176.117 -0.024 0.000 1.001 382 I CA -0.517 60.778 61.300 -0.009 0.000 1.119 382 I CB 1.417 39.408 38.000 -0.014 0.000 1.289 382 I HN 0.436 nan 8.210 nan 0.000 0.438 383 M N 5.285 124.863 119.600 -0.037 0.000 2.239 383 M HA 0.273 4.756 4.480 0.006 0.000 0.348 383 M C -0.179 176.083 176.300 -0.063 0.000 1.239 383 M CA 0.352 55.616 55.300 -0.060 0.000 1.114 383 M CB 1.049 33.609 32.600 -0.066 0.000 1.641 383 M HN 0.403 nan 8.290 nan 0.000 0.453 384 V N 4.076 123.951 119.914 -0.064 0.000 3.114 384 V HA 0.394 4.518 4.120 0.006 0.000 0.308 384 V C -0.491 175.558 176.094 -0.075 0.000 1.168 384 V CA -0.594 61.670 62.300 -0.060 0.000 1.015 384 V CB 2.212 34.022 31.823 -0.022 0.000 1.050 384 V HN 1.001 nan 8.190 nan 0.000 0.433 385 N N 2.787 121.439 118.700 -0.080 0.000 2.721 385 N HA -0.148 4.595 4.740 0.006 0.000 0.249 385 N C 0.304 175.697 175.510 -0.195 0.000 1.072 385 N CA 1.411 54.420 53.050 -0.068 0.000 0.710 385 N CB -1.240 37.259 38.487 0.019 0.000 0.993 385 N HN 0.643 nan 8.380 nan 0.000 0.547 386 S N -1.099 114.340 115.700 -0.434 0.000 2.751 386 S HA 0.474 4.948 4.470 0.006 0.000 0.247 386 S C 1.367 175.313 174.600 -1.090 0.000 1.103 386 S CA 0.029 57.539 58.200 -1.150 0.000 1.090 386 S CB 0.900 63.687 63.200 -0.688 0.000 0.928 386 S HN 0.855 nan 8.310 nan 0.000 0.502 387 G N 3.799 112.253 108.800 -0.576 0.000 2.685 387 G HA2 -0.309 3.654 3.960 0.006 0.000 0.329 387 G HA3 -0.309 3.654 3.960 0.006 0.000 0.329 387 G C -1.439 173.279 174.900 -0.302 0.000 1.271 387 G CA 0.669 45.593 45.100 -0.293 0.000 1.003 387 G HN 0.401 nan 8.290 nan 0.000 0.549 388 P HA 0.154 nan 4.420 nan 0.000 0.237 388 P C 1.296 178.275 177.300 -0.535 0.000 1.178 388 P CA 1.090 63.914 63.100 -0.459 0.000 0.766 388 P CB -0.166 31.187 31.700 -0.578 0.000 0.876 389 F N -0.043 119.724 119.950 -0.304 0.000 2.789 389 F HA 0.114 4.645 4.527 0.006 0.000 0.300 389 F C 0.854 176.527 175.800 -0.211 0.000 1.132 389 F CA -0.264 57.589 58.000 -0.246 0.000 1.404 389 F CB -0.909 37.928 39.000 -0.273 0.000 1.114 389 F HN -0.211 nan 8.300 nan 0.000 0.584 390 D N 0.741 121.080 120.400 -0.102 0.000 2.586 390 D HA 0.227 4.871 4.640 0.006 0.000 0.234 390 D C 1.423 177.687 176.300 -0.060 0.000 1.132 390 D CA 1.647 55.591 54.000 -0.094 0.000 0.860 390 D CB 0.535 41.268 40.800 -0.113 0.000 1.159 390 D HN 0.432 nan 8.370 nan 0.000 0.490 391 G N 1.940 110.714 108.800 -0.043 0.000 2.213 391 G HA2 -0.263 3.701 3.960 0.006 0.000 0.236 391 G HA3 -0.263 3.701 3.960 0.006 0.000 0.236 391 G C 0.575 175.465 174.900 -0.017 0.000 0.991 391 G CA 0.248 45.329 45.100 -0.031 0.000 0.629 391 G HN 0.598 nan 8.290 nan 0.000 0.517 392 T N 2.171 116.723 114.554 -0.004 0.000 2.884 392 T HA 0.440 4.793 4.350 0.006 0.000 0.298 392 T C 0.369 175.069 174.700 -0.000 0.000 0.998 392 T CA -0.064 62.043 62.100 0.012 0.000 1.124 392 T CB 1.290 70.190 68.868 0.053 0.000 0.931 392 T HN 0.409 nan 8.240 nan 0.000 0.531 393 E N 1.730 121.930 120.200 0.000 0.000 2.415 393 E HA 0.040 4.393 4.350 0.006 0.000 0.263 393 E C 1.170 177.763 176.600 -0.012 0.000 0.995 393 E CA -0.258 56.140 56.400 -0.004 0.000 0.915 393 E CB 0.552 30.252 29.700 -0.000 0.000 0.951 393 E HN 0.759 nan 8.360 nan 0.000 0.449 394 S N 3.346 119.032 115.700 -0.022 0.000 2.399 394 S HA -0.183 4.290 4.470 0.006 0.000 0.231 394 S C 1.367 175.938 174.600 -0.048 0.000 1.022 394 S CA 0.706 58.878 58.200 -0.046 0.000 0.983 394 S CB 0.027 63.190 63.200 -0.062 0.000 0.803 394 S HN 0.457 nan 8.310 nan 0.000 0.480 395 E N 1.505 121.685 120.200 -0.035 0.000 2.047 395 E HA -0.151 4.202 4.350 0.006 0.000 0.191 395 E C 2.129 178.715 176.600 -0.023 0.000 0.987 395 E CA 1.217 57.597 56.400 -0.033 0.000 0.799 395 E CB -0.449 29.236 29.700 -0.025 0.000 0.752 395 E HN 0.812 nan 8.360 nan 0.000 0.449 396 E N 0.363 120.556 120.200 -0.010 0.000 2.085 396 E HA -0.167 4.186 4.350 0.006 0.000 0.194 396 E C 2.118 178.722 176.600 0.008 0.000 0.994 396 E CA 1.247 57.649 56.400 0.004 0.000 0.801 396 E CB -0.282 29.426 29.700 0.012 0.000 0.743 396 E HN 0.258 nan 8.360 nan 0.000 0.453 397 G N 0.944 109.739 108.800 -0.007 0.000 2.462 397 G HA2 -0.280 3.683 3.960 0.006 0.000 0.220 397 G HA3 -0.280 3.683 3.960 0.006 0.000 0.220 397 G C 1.427 176.280 174.900 -0.078 0.000 1.121 397 G CA 0.880 45.961 45.100 -0.031 0.000 0.758 397 G HN 0.221 nan 8.290 nan 0.000 0.559 398 K N 0.099 120.461 120.400 -0.063 0.000 2.032 398 K HA -0.095 4.229 4.320 0.006 0.000 0.209 398 K C 2.724 179.308 176.600 -0.026 0.000 1.048 398 K CA 1.246 57.496 56.287 -0.061 0.000 0.927 398 K CB -0.200 32.267 32.500 -0.055 0.000 0.712 398 K HN 0.201 nan 8.250 nan 0.000 0.441 399 R N 1.030 121.529 120.500 -0.001 0.000 2.092 399 R HA -0.082 4.261 4.340 0.006 0.000 0.231 399 R C 2.263 178.605 176.300 0.069 0.000 1.119 399 R CA 1.256 57.372 56.100 0.028 0.000 0.970 399 R CB -0.117 30.199 30.300 0.027 0.000 0.864 399 R HN 0.171 nan 8.270 nan 0.000 0.440 400 K N 0.258 120.711 120.400 0.089 0.000 2.057 400 K HA -0.068 4.255 4.320 0.006 0.000 0.206 400 K C 2.084 178.841 176.600 0.262 0.000 1.050 400 K CA 1.182 57.590 56.287 0.201 0.000 0.935 400 K CB -0.044 32.626 32.500 0.284 0.000 0.715 400 K HN -0.002 nan 8.250 nan 0.000 0.439 401 V N 1.773 121.693 119.914 0.009 0.000 2.358 401 V HA -0.223 3.901 4.120 0.006 0.000 0.246 401 V C 2.165 178.379 176.094 0.200 0.000 1.047 401 V CA 1.494 63.779 62.300 -0.025 0.000 1.035 401 V CB -0.359 31.310 31.823 -0.257 0.000 0.658 401 V HN 0.252 nan 8.190 nan 0.000 0.452 402 I N 0.507 121.138 120.570 0.101 0.000 2.163 402 I HA -0.266 3.907 4.170 0.006 0.000 0.243 402 I C 2.680 178.863 176.117 0.109 0.000 1.085 402 I CA 1.590 62.939 61.300 0.083 0.000 1.347 402 I CB -0.582 37.443 38.000 0.041 0.000 1.044 402 I HN 0.286 nan 8.210 nan 0.000 0.408 403 A N 0.048 122.955 122.820 0.145 0.000 1.908 403 A HA -0.291 4.033 4.320 0.006 0.000 0.218 403 A C 2.117 179.818 177.584 0.194 0.000 1.181 403 A CA 1.883 54.008 52.037 0.146 0.000 0.627 403 A CB -1.274 17.819 19.000 0.155 0.000 0.818 403 A HN 0.699 nan 8.150 nan 0.000 0.445 404 W N 0.589 121.956 121.300 0.112 0.000 2.381 404 W HA -0.092 4.571 4.660 0.005 0.000 0.301 404 W C 1.707 178.271 176.519 0.075 0.000 1.205 404 W CA 1.656 59.084 57.345 0.138 0.000 1.285 404 W CB -0.338 29.316 29.460 0.323 0.000 1.133 404 W HN 0.240 nan 8.180 nan 0.000 0.521 405 L N 0.586 121.761 121.223 -0.081 0.000 2.012 405 L HA -0.253 4.091 4.340 0.006 0.000 0.210 405 L C 2.501 179.207 176.870 -0.274 0.000 1.073 405 L CA 2.061 56.698 54.840 -0.339 0.000 0.748 405 L CB -0.967 41.025 42.059 -0.111 0.000 0.891 405 L HN 0.050 nan 8.230 nan 0.000 0.431 406 E N -0.318 119.808 120.200 -0.124 0.000 2.072 406 E HA -0.269 4.085 4.350 0.006 0.000 0.191 406 E C 2.104 178.637 176.600 -0.110 0.000 0.985 406 E CA 1.181 57.526 56.400 -0.091 0.000 0.801 406 E CB -0.047 29.634 29.700 -0.032 0.000 0.750 406 E HN 0.439 nan 8.360 nan 0.000 0.452 407 E N 0.787 120.924 120.200 -0.105 0.000 2.118 407 E HA -0.209 4.144 4.350 0.006 0.000 0.195 407 E C 1.281 177.783 176.600 -0.164 0.000 0.992 407 E CA 1.011 57.353 56.400 -0.097 0.000 0.804 407 E CB 0.257 29.934 29.700 -0.037 0.000 0.741 407 E HN -0.049 nan 8.360 nan 0.000 0.458 408 K N -0.726 119.489 120.400 -0.309 0.000 2.374 408 K HA 0.111 4.434 4.320 0.006 0.000 0.196 408 K C 0.798 177.236 176.600 -0.270 0.000 1.023 408 K CA 0.687 56.772 56.287 -0.337 0.000 1.103 408 K CB 0.876 33.009 32.500 -0.611 0.000 0.848 408 K HN 0.291 nan 8.250 nan 0.000 0.528 409 G N 2.013 110.677 108.800 -0.225 0.000 2.221 409 G HA2 -0.244 3.719 3.960 0.006 0.000 0.265 409 G HA3 -0.244 3.719 3.960 0.006 0.000 0.265 409 G C 0.489 175.273 174.900 -0.193 0.000 1.041 409 G CA 0.310 45.309 45.100 -0.168 0.000 0.807 409 G HN 0.345 nan 8.290 nan 0.000 0.502 410 L N -0.884 120.178 121.223 -0.269 0.000 2.731 410 L HA 0.568 4.912 4.340 0.006 0.000 0.240 410 L C 1.383 178.126 176.870 -0.210 0.000 1.120 410 L CA 0.464 55.135 54.840 -0.282 0.000 0.913 410 L CB 0.406 42.195 42.059 -0.449 0.000 1.213 410 L HN 0.727 nan 8.230 nan 0.000 0.515 411 G N 0.685 109.389 108.800 -0.159 0.000 2.317 411 G HA2 0.279 4.242 3.960 0.006 0.000 0.293 411 G HA3 0.279 4.242 3.960 0.006 0.000 0.293 411 G C -2.014 172.847 174.900 -0.064 0.000 1.287 411 G CA -0.676 44.371 45.100 -0.089 0.000 0.850 411 G HN -0.013 nan 8.290 nan 0.000 0.515 412 K N -0.851 119.535 120.400 -0.023 0.000 2.546 412 K HA 0.682 5.006 4.320 0.006 0.000 0.264 412 K C 0.111 176.720 176.600 0.016 0.000 0.937 412 K CA -0.541 55.740 56.287 -0.009 0.000 0.833 412 K CB 2.045 34.539 32.500 -0.009 0.000 1.378 412 K HN 1.285 nan 8.250 nan 0.000 0.432 413 G N 1.475 110.284 108.800 0.015 0.000 2.432 413 G HA2 0.201 4.165 3.960 0.006 0.000 0.239 413 G HA3 0.201 4.165 3.960 0.006 0.000 0.239 413 G C -0.728 174.193 174.900 0.035 0.000 1.291 413 G CA -0.395 44.719 45.100 0.024 0.000 0.863 413 G HN 0.630 nan 8.290 nan 0.000 0.560 414 R N 2.220 122.758 120.500 0.064 0.000 2.507 414 R HA 0.393 4.736 4.340 0.006 0.000 0.298 414 R C -0.972 175.358 176.300 0.051 0.000 1.087 414 R CA -0.587 55.555 56.100 0.070 0.000 0.917 414 R CB 1.480 31.864 30.300 0.141 0.000 1.173 414 R HN 0.364 nan 8.270 nan 0.000 0.472 415 V N 4.222 124.118 119.914 -0.030 0.000 2.555 415 V HA 0.295 4.419 4.120 0.006 0.000 0.286 415 V C 0.590 176.542 176.094 -0.237 0.000 1.044 415 V CA 0.085 62.302 62.300 -0.139 0.000 1.026 415 V CB 1.163 32.889 31.823 -0.162 0.000 0.981 415 V HN 0.959 nan 8.190 nan 0.000 0.480 416 T N 2.015 116.367 114.554 -0.336 0.000 2.864 416 T HA 0.778 5.132 4.350 0.006 0.000 0.289 416 T C -1.259 173.078 174.700 -0.604 0.000 1.082 416 T CA -0.770 61.133 62.100 -0.328 0.000 1.009 416 T CB 1.792 70.636 68.868 -0.039 0.000 1.234 416 T HN 0.311 nan 8.240 nan 0.000 0.526 417 Y N -0.864 119.433 120.300 -0.005 0.000 2.492 417 Y HA 0.608 5.161 4.550 0.006 0.000 0.346 417 Y C 1.461 177.331 175.900 -0.049 0.000 0.997 417 Y CA -1.359 56.728 58.100 -0.021 0.000 1.025 417 Y CB 2.204 40.652 38.460 -0.020 0.000 1.263 417 Y HN 0.741 nan 8.280 nan 0.000 0.454 418 R N 1.035 121.570 120.500 0.058 0.000 2.120 418 R HA -0.056 4.288 4.340 0.006 0.000 0.234 418 R C 0.298 176.524 176.300 -0.123 0.000 1.123 418 R CA 0.521 56.582 56.100 -0.065 0.000 0.975 418 R CB -0.116 30.100 30.300 -0.140 0.000 0.866 418 R HN 0.662 nan 8.270 nan 0.000 0.446 419 L N 2.261 123.438 121.223 -0.077 0.000 2.540 419 L HA -0.015 4.328 4.340 0.006 0.000 0.276 419 L C -0.336 176.524 176.870 -0.017 0.000 1.212 419 L CA 0.889 55.667 54.840 -0.103 0.000 0.893 419 L CB 0.443 42.490 42.059 -0.020 0.000 1.138 419 L HN 0.130 nan 8.230 nan 0.000 0.491 420 R N 3.153 123.656 120.500 0.007 0.000 2.856 420 R HA 0.408 4.751 4.340 0.006 0.000 0.258 420 R C -0.728 175.673 176.300 0.167 0.000 1.066 420 R CA -1.041 55.107 56.100 0.080 0.000 1.045 420 R CB 0.652 31.006 30.300 0.089 0.000 1.178 420 R HN 0.590 nan 8.270 nan 0.000 0.499 421 D N 0.236 120.754 120.400 0.196 0.000 2.361 421 D HA -0.009 4.634 4.640 0.006 0.000 0.239 421 D C -0.321 176.268 176.300 0.481 0.000 1.200 421 D CA 0.236 54.406 54.000 0.284 0.000 0.915 421 D CB 0.615 41.577 40.800 0.270 0.000 1.170 421 D HN 0.279 nan 8.370 nan 0.000 0.444 422 W N 3.119 124.556 121.300 0.228 0.000 2.311 422 W HA 0.311 4.974 4.660 0.005 0.000 0.317 422 W C -0.936 175.670 176.519 0.145 0.000 1.065 422 W CA -1.109 56.358 57.345 0.203 0.000 1.364 422 W CB -0.218 29.313 29.460 0.119 0.000 1.233 422 W HN 0.164 nan 8.180 nan 0.000 0.409 423 L N 9.426 130.868 121.223 0.364 0.000 2.456 423 L HA 0.042 4.385 4.340 0.006 0.000 0.277 423 L C 1.093 177.926 176.870 -0.062 0.000 1.124 423 L CA 0.267 55.020 54.840 -0.146 0.000 0.880 423 L CB 0.433 42.449 42.059 -0.072 0.000 1.192 423 L HN 0.698 nan 8.230 nan 0.000 0.463 424 I N 0.469 120.910 120.570 -0.215 0.000 4.035 424 I HA 0.163 4.337 4.170 0.006 0.000 0.321 424 I C 0.890 176.982 176.117 -0.041 0.000 1.289 424 I CA -0.264 60.923 61.300 -0.188 0.000 1.236 424 I CB 0.372 38.186 38.000 -0.309 0.000 1.076 424 I HN 0.508 nan 8.210 nan 0.000 0.418 425 S N 2.359 118.059 115.700 0.001 0.000 2.565 425 S HA 0.598 5.071 4.470 0.006 0.000 0.274 425 S C -0.038 174.591 174.600 0.048 0.000 1.309 425 S CA -0.721 57.506 58.200 0.045 0.000 1.043 425 S CB 1.240 64.556 63.200 0.193 0.000 0.939 425 S HN 0.237 nan 8.310 nan 0.000 0.504 426 R N 1.335 121.850 120.500 0.026 0.000 2.673 426 R HA 0.327 4.670 4.340 0.006 0.000 0.281 426 R C -1.026 175.299 176.300 0.042 0.000 0.991 426 R CA -0.660 55.464 56.100 0.040 0.000 0.896 426 R CB 1.473 31.781 30.300 0.012 0.000 1.201 426 R HN 0.640 nan 8.270 nan 0.000 0.457 427 Q N 1.908 121.756 119.800 0.081 0.000 2.894 427 Q HA 0.254 4.598 4.340 0.006 0.000 0.358 427 Q C -0.415 175.627 176.000 0.070 0.000 1.155 427 Q CA 0.117 55.982 55.803 0.104 0.000 0.960 427 Q CB 0.315 29.174 28.738 0.202 0.000 1.428 427 Q HN 0.018 nan 8.270 nan 0.000 0.437 428 R N -0.613 119.905 120.500 0.031 0.000 2.725 428 R HA 0.185 4.528 4.340 0.006 0.000 0.277 428 R C -0.119 176.197 176.300 0.025 0.000 0.987 428 R CA -0.761 55.359 56.100 0.033 0.000 0.901 428 R CB 0.446 30.750 30.300 0.006 0.000 1.207 428 R HN 0.238 nan 8.270 nan 0.000 0.463 429 Y N 1.360 121.635 120.300 -0.041 0.000 2.163 429 Y HA -0.017 4.537 4.550 0.006 0.000 0.288 429 Y C 0.529 176.400 175.900 -0.049 0.000 1.136 429 Y CA 1.215 59.282 58.100 -0.055 0.000 1.147 429 Y CB 0.308 38.758 38.460 -0.016 0.000 0.987 429 Y HN 0.582 nan 8.280 nan 0.000 0.509 430 W N 3.296 124.358 121.300 -0.397 0.000 2.072 430 W HA 0.454 5.120 4.660 0.009 0.000 0.413 430 W C -0.567 175.490 176.519 -0.771 0.000 0.865 430 W CA 0.508 57.553 57.345 -0.499 0.000 1.579 430 W CB -0.308 29.084 29.460 -0.114 0.000 1.720 430 W HN 0.269 nan 8.180 nan 0.000 0.301 431 G N 1.748 109.587 108.800 -1.601 0.000 2.451 431 G HA2 0.160 4.124 3.960 0.006 0.000 0.292 431 G HA3 0.160 4.124 3.960 0.006 0.000 0.292 431 G C -1.189 172.638 174.900 -1.787 0.000 1.427 431 G CA -0.793 43.095 45.100 -2.020 0.000 0.792 431 G HN -0.087 nan 8.290 nan 0.000 0.498 432 T N 3.112 116.919 114.554 -1.245 0.000 2.817 432 T HA 0.404 4.757 4.350 0.006 0.000 0.295 432 T C -2.274 172.047 174.700 -0.631 0.000 0.958 432 T CA -0.168 61.462 62.100 -0.783 0.000 1.157 432 T CB 1.057 69.698 68.868 -0.379 0.000 0.898 432 T HN 0.226 nan 8.240 nan 0.000 0.536 433 P HA 0.142 nan 4.420 nan 0.000 0.265 433 P C -0.114 176.939 177.300 -0.412 0.000 1.193 433 P CA -0.196 62.695 63.100 -0.349 0.000 0.765 433 P CB 0.293 31.907 31.700 -0.143 0.000 0.823 434 I N 6.317 126.607 120.570 -0.467 0.000 2.452 434 I HA 0.088 4.262 4.170 0.006 0.000 0.287 434 I C -1.447 174.289 176.117 -0.635 0.000 1.079 434 I CA -1.722 59.089 61.300 -0.815 0.000 1.387 434 I CB 0.836 38.289 38.000 -0.912 0.000 1.404 434 I HN 0.219 nan 8.210 nan 0.000 0.522 435 P HA 0.150 nan 4.420 nan 0.000 0.218 435 P C -0.767 176.297 177.300 -0.393 0.000 1.793 435 P CA 0.111 62.966 63.100 -0.407 0.000 0.941 435 P CB 0.109 31.616 31.700 -0.320 0.000 1.919 436 M N 0.289 119.668 119.600 -0.369 0.000 2.619 436 M HA 0.455 4.938 4.480 0.006 0.000 0.297 436 M C -0.481 175.711 176.300 -0.180 0.000 1.229 436 M CA -1.168 53.940 55.300 -0.320 0.000 0.860 436 M CB 2.626 35.040 32.600 -0.309 0.000 1.741 436 M HN -0.255 nan 8.290 nan 0.000 0.462 437 V N 1.163 120.953 119.914 -0.206 0.000 2.823 437 V HA 0.476 4.600 4.120 0.006 0.000 0.312 437 V C -0.749 175.226 176.094 -0.198 0.000 1.072 437 V CA -0.770 61.469 62.300 -0.101 0.000 0.937 437 V CB 2.458 34.234 31.823 -0.079 0.000 1.013 437 V HN 0.717 nan 8.190 nan 0.000 0.430 438 H N 1.862 120.938 119.070 0.009 0.000 2.595 438 H HA 0.394 4.953 4.556 0.006 0.000 0.313 438 H C -0.779 174.558 175.328 0.015 0.000 1.023 438 H CA -0.266 55.798 56.048 0.026 0.000 1.218 438 H CB 1.705 31.482 29.762 0.026 0.000 1.403 438 H HN 0.712 nan 8.280 nan 0.000 0.477 439 C N 3.844 123.199 119.300 0.091 0.000 2.351 439 C HA 0.121 4.585 4.460 0.006 0.000 0.326 439 C C 1.953 176.981 174.990 0.064 0.000 1.272 439 C CA -0.459 58.596 59.018 0.062 0.000 1.650 439 C CB 0.499 28.260 27.740 0.035 0.000 2.257 439 C HN 1.000 nan 8.230 nan 0.000 0.505 440 E N 2.802 123.034 120.200 0.053 0.000 2.204 440 E HA -0.104 4.249 4.350 0.006 0.000 0.195 440 E C 1.710 178.333 176.600 0.038 0.000 0.990 440 E CA 1.580 58.007 56.400 0.044 0.000 0.821 440 E CB 0.228 29.949 29.700 0.035 0.000 0.750 440 E HN 0.878 nan 8.360 nan 0.000 0.477 441 A N -0.343 122.498 122.820 0.035 0.000 1.901 441 A HA -0.021 4.302 4.320 0.006 0.000 0.210 441 A C 2.228 179.833 177.584 0.034 0.000 1.208 441 A CA 0.619 52.674 52.037 0.030 0.000 0.644 441 A CB -0.315 18.700 19.000 0.025 0.000 0.863 441 A HN 0.452 nan 8.150 nan 0.000 0.454 442 C N -1.440 117.883 119.300 0.037 0.000 2.533 442 C HA 0.501 4.964 4.460 0.006 0.000 0.272 442 C C 1.813 176.837 174.990 0.056 0.000 1.371 442 C CA 0.149 59.192 59.018 0.043 0.000 1.758 442 C CB -0.967 26.796 27.740 0.039 0.000 1.972 442 C HN 1.070 nan 8.230 nan 0.000 0.522 443 G N 0.274 109.109 108.800 0.057 0.000 2.481 443 G HA2 -0.168 3.795 3.960 0.006 0.000 0.230 443 G HA3 -0.168 3.795 3.960 0.006 0.000 0.230 443 G C -0.516 174.411 174.900 0.045 0.000 1.210 443 G CA -0.169 44.973 45.100 0.071 0.000 0.936 443 G HN 0.328 nan 8.290 nan 0.000 0.583 444 V N 0.968 120.916 119.914 0.056 0.000 2.432 444 V HA 0.519 4.642 4.120 0.006 0.000 0.271 444 V C 0.540 176.625 176.094 -0.014 0.000 1.046 444 V CA -0.252 62.015 62.300 -0.055 0.000 0.945 444 V CB 0.929 32.765 31.823 0.022 0.000 0.992 444 V HN 0.868 nan 8.190 nan 0.000 0.471 445 V N 7.971 127.797 119.914 -0.145 0.000 2.540 445 V HA 0.459 4.583 4.120 0.006 0.000 0.302 445 V C -2.241 173.684 176.094 -0.282 0.000 1.035 445 V CA -1.869 60.356 62.300 -0.125 0.000 0.873 445 V CB 2.405 34.196 31.823 -0.054 0.000 0.992 445 V HN 0.703 nan 8.190 nan 0.000 0.428 446 P HA 0.203 nan 4.420 nan 0.000 0.275 446 P C -0.399 176.765 177.300 -0.226 0.000 1.228 446 P CA -0.085 62.758 63.100 -0.428 0.000 0.786 446 P CB 1.147 32.549 31.700 -0.497 0.000 0.927 447 V N 4.987 124.773 119.914 -0.214 0.000 2.572 447 V HA 0.084 4.207 4.120 0.006 0.000 0.291 447 V C -1.787 174.246 176.094 -0.103 0.000 1.039 447 V CA -1.144 61.073 62.300 -0.138 0.000 1.055 447 V CB -0.205 31.538 31.823 -0.134 0.000 0.969 447 V HN 0.577 nan 8.190 nan 0.000 0.482 448 P HA 0.033 nan 4.420 nan 0.000 0.266 448 P C 0.886 178.169 177.300 -0.028 0.000 1.195 448 P CA 0.048 63.125 63.100 -0.039 0.000 0.768 448 P CB 0.543 32.230 31.700 -0.021 0.000 0.838 449 E N 3.141 123.334 120.200 -0.012 0.000 2.147 449 E HA -0.296 4.057 4.350 0.006 0.000 0.199 449 E C 1.187 177.819 176.600 0.052 0.000 1.005 449 E CA 1.451 57.870 56.400 0.032 0.000 0.810 449 E CB 0.004 29.736 29.700 0.053 0.000 0.736 449 E HN 0.439 nan 8.360 nan 0.000 0.460 450 E N 0.366 120.588 120.200 0.036 0.000 2.418 450 E HA -0.160 4.194 4.350 0.006 0.000 0.197 450 E C 1.147 177.751 176.600 0.007 0.000 1.026 450 E CA 0.816 57.235 56.400 0.033 0.000 0.862 450 E CB -0.120 29.599 29.700 0.032 0.000 0.799 450 E HN 0.535 nan 8.360 nan 0.000 0.518 451 E N 0.670 120.865 120.200 -0.008 0.000 2.479 451 E HA 0.167 4.521 4.350 0.006 0.000 0.193 451 E C 0.339 176.918 176.600 -0.034 0.000 1.049 451 E CA -0.226 56.162 56.400 -0.020 0.000 0.870 451 E CB 0.267 29.952 29.700 -0.026 0.000 0.944 451 E HN 0.193 nan 8.360 nan 0.000 0.492 452 L N 3.202 124.396 121.223 -0.048 0.000 2.439 452 L HA 0.192 4.535 4.340 0.006 0.000 0.269 452 L C -1.857 174.933 176.870 -0.133 0.000 1.179 452 L CA -1.847 52.940 54.840 -0.087 0.000 0.828 452 L CB -0.188 41.804 42.059 -0.111 0.000 1.106 452 L HN -0.111 nan 8.230 nan 0.000 0.467 453 P HA 0.083 nan 4.420 nan 0.000 0.275 453 P C -0.663 176.652 177.300 0.025 0.000 1.228 453 P CA -0.369 62.688 63.100 -0.071 0.000 0.786 453 P CB 1.108 32.741 31.700 -0.112 0.000 0.927 454 V N 4.306 124.259 119.914 0.065 0.000 2.381 454 V HA 0.038 4.161 4.120 0.006 0.000 0.257 454 V C 0.907 177.142 176.094 0.235 0.000 1.057 454 V CA -0.103 62.264 62.300 0.112 0.000 1.013 454 V CB -0.612 31.245 31.823 0.058 0.000 1.069 454 V HN 0.370 nan 8.190 nan 0.000 0.484 455 L N 5.450 126.821 121.223 0.247 0.000 2.410 455 L HA 0.264 4.607 4.340 0.006 0.000 0.273 455 L C 0.419 177.426 176.870 0.229 0.000 1.152 455 L CA -0.186 54.832 54.840 0.296 0.000 0.855 455 L CB 0.593 42.778 42.059 0.211 0.000 1.129 455 L HN 0.439 nan 8.230 nan 0.000 0.463 456 L N 5.755 127.052 121.223 0.122 0.000 2.490 456 L HA 0.112 4.455 4.340 0.006 0.000 0.274 456 L C -1.597 175.306 176.870 0.054 0.000 1.201 456 L CA -1.309 53.476 54.840 -0.091 0.000 0.869 456 L CB 0.750 42.707 42.059 -0.170 0.000 1.123 456 L HN 0.431 nan 8.230 nan 0.000 0.484 457 P HA 0.033 nan 4.420 nan 0.000 0.275 457 P C -1.046 176.363 177.300 0.183 0.000 1.228 457 P CA -0.433 62.719 63.100 0.087 0.000 0.786 457 P CB 0.742 32.442 31.700 -0.001 0.000 0.927 458 D N 2.446 122.943 120.400 0.161 0.000 2.483 458 D HA 0.158 4.801 4.640 0.006 0.000 0.220 458 D C -0.139 176.219 176.300 0.096 0.000 1.173 458 D CA -0.105 54.015 54.000 0.200 0.000 0.964 458 D CB -0.624 40.266 40.800 0.149 0.000 1.046 458 D HN 0.210 nan 8.370 nan 0.000 0.517 459 L N 3.776 125.014 121.223 0.025 0.000 2.360 459 L HA 0.216 4.559 4.340 0.006 0.000 0.276 459 L C 1.619 178.507 176.870 0.030 0.000 1.121 459 L CA -0.176 54.567 54.840 -0.162 0.000 0.845 459 L CB 1.046 42.748 42.059 -0.595 0.000 1.143 459 L HN 0.251 nan 8.230 nan 0.000 0.452 460 K N 0.771 121.179 120.400 0.013 0.000 2.334 460 K HA 0.017 4.340 4.320 0.006 0.000 0.195 460 K C 0.017 176.663 176.600 0.076 0.000 1.045 460 K CA 0.107 56.406 56.287 0.019 0.000 1.004 460 K CB 0.275 32.761 32.500 -0.024 0.000 0.837 460 K HN 0.498 nan 8.250 nan 0.000 0.510 461 D N 0.539 120.961 120.400 0.037 0.000 2.313 461 D HA 0.045 4.688 4.640 0.006 0.000 0.239 461 D C 0.996 177.299 176.300 0.005 0.000 1.142 461 D CA -0.198 53.819 54.000 0.028 0.000 0.847 461 D CB 1.456 42.265 40.800 0.016 0.000 1.082 461 D HN -0.273 nan 8.370 nan 0.000 0.480 462 V N 3.584 123.511 119.914 0.020 0.000 2.380 462 V HA -0.239 3.884 4.120 0.006 0.000 0.251 462 V C 2.147 178.210 176.094 -0.052 0.000 1.063 462 V CA 2.053 64.333 62.300 -0.033 0.000 1.055 462 V CB -0.568 31.245 31.823 -0.015 0.000 0.657 462 V HN 0.626 nan 8.190 nan 0.000 0.455 463 E N 0.315 120.498 120.200 -0.027 0.000 2.208 463 E HA -0.198 4.155 4.350 0.006 0.000 0.193 463 E C 1.798 178.386 176.600 -0.020 0.000 0.988 463 E CA 1.236 57.622 56.400 -0.023 0.000 0.828 463 E CB -0.376 29.318 29.700 -0.010 0.000 0.763 463 E HN 0.623 nan 8.360 nan 0.000 0.478 464 D N -0.137 120.252 120.400 -0.020 0.000 2.117 464 D HA -0.109 4.534 4.640 0.006 0.000 0.198 464 D C 1.818 178.084 176.300 -0.056 0.000 0.982 464 D CA 1.128 55.126 54.000 -0.004 0.000 0.828 464 D CB -0.101 40.709 40.800 0.017 0.000 0.967 464 D HN 0.346 nan 8.370 nan 0.000 0.464 465 I N -0.180 120.309 120.570 -0.136 0.000 2.500 465 I HA -0.086 4.087 4.170 0.006 0.000 0.252 465 I C 1.349 177.429 176.117 -0.063 0.000 1.142 465 I CA 0.003 61.195 61.300 -0.181 0.000 1.451 465 I CB -0.167 37.668 38.000 -0.274 0.000 1.093 465 I HN -0.105 nan 8.210 nan 0.000 0.430 466 R N 3.739 124.205 120.500 -0.056 0.000 2.486 466 R HA -0.001 4.343 4.340 0.006 0.000 0.303 466 R C -2.272 174.025 176.300 -0.004 0.000 0.958 466 R CA -1.055 55.023 56.100 -0.038 0.000 1.077 466 R CB 0.258 30.533 30.300 -0.041 0.000 0.921 466 R HN -0.042 nan 8.270 nan 0.000 0.406 467 P HA 0.135 nan 4.420 nan 0.000 0.282 467 P C -1.207 176.121 177.300 0.046 0.000 1.262 467 P CA -0.150 62.971 63.100 0.035 0.000 0.773 467 P CB 1.269 32.982 31.700 0.022 0.000 0.879 468 K N 1.648 122.095 120.400 0.078 0.000 2.402 468 K HA 0.401 4.724 4.320 0.006 0.000 0.204 468 K C 1.161 177.851 176.600 0.150 0.000 1.056 468 K CA 0.214 56.555 56.287 0.090 0.000 1.069 468 K CB 0.697 33.234 32.500 0.062 0.000 0.888 468 K HN 0.695 nan 8.250 nan 0.000 0.546 469 G N 0.645 109.577 108.800 0.220 0.000 3.006 469 G HA2 -0.158 3.805 3.960 0.006 0.000 0.195 469 G HA3 -0.158 3.805 3.960 0.006 0.000 0.195 469 G C -0.267 174.791 174.900 0.263 0.000 1.034 469 G CA -0.604 44.688 45.100 0.321 0.000 0.807 469 G HN 0.096 nan 8.290 nan 0.000 0.469 470 K N 0.773 121.273 120.400 0.166 0.000 2.238 470 K HA 0.666 4.989 4.320 0.006 0.000 0.239 470 K C -0.017 176.662 176.600 0.131 0.000 0.987 470 K CA -0.293 56.071 56.287 0.129 0.000 0.857 470 K CB 1.960 34.508 32.500 0.079 0.000 1.154 470 K HN 0.147 nan 8.250 nan 0.000 0.439 471 S N 1.433 117.202 115.700 0.116 0.000 2.552 471 S HA 0.048 4.521 4.470 0.006 0.000 0.289 471 S C -1.773 172.901 174.600 0.123 0.000 1.304 471 S CA -1.095 57.170 58.200 0.109 0.000 1.063 471 S CB 0.358 63.614 63.200 0.094 0.000 0.848 471 S HN 0.288 nan 8.310 nan 0.000 0.499 472 P HA -0.073 nan 4.420 nan 0.000 0.219 472 P C 1.065 178.489 177.300 0.207 0.000 1.146 472 P CA 1.034 64.215 63.100 0.136 0.000 0.808 472 P CB 0.025 31.777 31.700 0.086 0.000 0.779 473 L N -0.706 120.626 121.223 0.182 0.000 2.362 473 L HA -0.103 4.240 4.340 0.006 0.000 0.219 473 L C 2.144 179.268 176.870 0.423 0.000 1.134 473 L CA 0.983 55.970 54.840 0.245 0.000 0.807 473 L CB -0.801 41.324 42.059 0.109 0.000 0.927 473 L HN -0.012 nan 8.230 nan 0.000 0.447 474 E N 0.717 121.089 120.200 0.287 0.000 2.333 474 E HA -0.131 4.223 4.350 0.006 0.000 0.198 474 E C 1.956 178.754 176.600 0.331 0.000 1.007 474 E CA 1.039 57.584 56.400 0.241 0.000 0.845 474 E CB 0.086 29.839 29.700 0.090 0.000 0.766 474 E HN 0.449 nan 8.360 nan 0.000 0.507 475 A N 0.513 123.500 122.820 0.278 0.000 2.278 475 A HA -0.025 4.298 4.320 0.006 0.000 0.212 475 A C 0.373 177.845 177.584 -0.187 0.000 1.213 475 A CA 0.088 52.168 52.037 0.072 0.000 0.840 475 A CB -0.086 18.912 19.000 -0.004 0.000 0.866 475 A HN 0.121 nan 8.150 nan 0.000 0.489 476 H N -0.094 119.106 119.070 0.217 0.000 2.423 476 H HA 0.165 4.723 4.556 0.005 0.000 0.237 476 H C -2.102 173.055 175.328 -0.285 0.000 1.391 476 H CA -1.405 54.673 56.048 0.050 0.000 1.453 476 H CB 0.923 30.750 29.762 0.108 0.000 1.484 476 H HN 0.265 nan 8.280 nan 0.000 0.505 477 P HA -0.192 nan 4.420 nan 0.000 0.221 477 P C 1.529 178.525 177.300 -0.506 0.000 1.145 477 P CA 1.026 63.468 63.100 -1.097 0.000 0.795 477 P CB 0.418 31.808 31.700 -0.516 0.000 0.775 478 E N -0.252 119.835 120.200 -0.189 0.000 2.204 478 E HA -0.191 4.162 4.350 0.006 0.000 0.194 478 E C 1.797 178.413 176.600 0.027 0.000 0.989 478 E CA 0.898 57.269 56.400 -0.048 0.000 0.824 478 E CB -1.148 28.573 29.700 0.035 0.000 0.756 478 E HN 0.264 nan 8.360 nan 0.000 0.477 479 F N 2.205 122.110 119.950 -0.075 0.000 2.164 479 F HA -0.048 4.483 4.527 0.006 0.000 0.287 479 F C 2.340 178.156 175.800 0.027 0.000 1.086 479 F CA 1.138 59.142 58.000 0.006 0.000 1.249 479 F CB -0.616 38.434 39.000 0.084 0.000 1.059 479 F HN 0.011 nan 8.300 nan 0.000 0.490 480 Y N 0.370 120.583 120.300 -0.145 0.000 2.457 480 Y HA 0.274 4.827 4.550 0.005 0.000 0.292 480 Y C 0.424 176.213 175.900 -0.185 0.000 1.125 480 Y CA -0.425 57.492 58.100 -0.306 0.000 1.254 480 Y CB -1.877 36.583 38.460 0.000 0.000 1.012 480 Y HN 0.051 nan 8.280 nan 0.000 0.555 481 E N 1.828 121.973 120.200 -0.093 0.000 2.328 481 E HA 0.250 4.603 4.350 0.006 0.000 0.265 481 E C -0.171 176.398 176.600 -0.052 0.000 1.057 481 E CA 0.398 56.796 56.400 -0.004 0.000 0.916 481 E CB 0.786 30.446 29.700 -0.067 0.000 0.993 481 E HN 0.365 nan 8.360 nan 0.000 0.446 482 T N 1.286 115.827 114.554 -0.021 0.000 2.645 482 T HA 0.395 4.748 4.350 0.006 0.000 0.300 482 T C -1.056 173.634 174.700 -0.017 0.000 1.210 482 T CA -0.561 61.512 62.100 -0.044 0.000 1.034 482 T CB 1.536 70.352 68.868 -0.087 0.000 1.537 482 T HN 0.484 nan 8.240 nan 0.000 0.492 483 T N -0.807 113.734 114.554 -0.023 0.000 2.918 483 T HA 0.514 4.867 4.350 0.006 0.000 0.286 483 T C 0.271 174.962 174.700 -0.015 0.000 1.026 483 T CA -0.715 61.379 62.100 -0.011 0.000 1.031 483 T CB 0.713 69.575 68.868 -0.010 0.000 1.046 483 T HN 0.817 nan 8.240 nan 0.000 0.479 484 C N 4.630 123.926 119.300 -0.006 0.000 2.629 484 C HA 0.375 4.839 4.460 0.006 0.000 0.410 484 C C -0.964 174.018 174.990 -0.013 0.000 1.339 484 C CA -1.439 57.574 59.018 -0.008 0.000 1.810 484 C CB -0.250 27.492 27.740 0.003 0.000 2.549 484 C HN 0.774 nan 8.230 nan 0.000 0.589 485 P HA -0.085 nan 4.420 nan 0.000 0.225 485 P C 1.280 178.576 177.300 -0.007 0.000 1.148 485 P CA 1.253 64.341 63.100 -0.020 0.000 0.779 485 P CB 0.040 31.719 31.700 -0.035 0.000 0.780 486 K N -0.489 119.910 120.400 -0.001 0.000 2.141 486 K HA -0.023 4.301 4.320 0.006 0.000 0.202 486 K C 1.640 178.246 176.600 0.011 0.000 1.045 486 K CA 1.512 57.805 56.287 0.011 0.000 0.971 486 K CB -0.147 32.365 32.500 0.021 0.000 0.795 486 K HN 0.242 nan 8.250 nan 0.000 0.459 487 C N -2.078 117.228 119.300 0.010 0.000 3.228 487 C HA 0.543 5.006 4.460 0.006 0.000 0.290 487 C C 1.447 176.442 174.990 0.008 0.000 1.301 487 C CA 0.119 59.144 59.018 0.011 0.000 1.703 487 C CB 0.035 27.783 27.740 0.014 0.000 2.141 487 C HN 0.663 nan 8.230 nan 0.000 0.656 488 G N 0.787 109.590 108.800 0.005 0.000 2.205 488 G HA2 -0.002 3.962 3.960 0.006 0.000 0.261 488 G HA3 -0.002 3.962 3.960 0.006 0.000 0.261 488 G C 0.628 175.531 174.900 0.005 0.000 0.980 488 G CA 0.399 45.501 45.100 0.003 0.000 0.632 488 G HN 1.220 nan 8.290 nan 0.000 0.533 489 G N 0.588 109.393 108.800 0.009 0.000 2.611 489 G HA2 0.578 4.542 3.960 0.006 0.000 0.273 489 G HA3 0.578 4.542 3.960 0.006 0.000 0.273 489 G C -1.766 173.141 174.900 0.013 0.000 1.305 489 G CA -0.201 44.906 45.100 0.011 0.000 1.010 489 G HN 0.338 nan 8.290 nan 0.000 0.509 490 P HA 0.432 nan 4.420 nan 0.000 0.276 490 P C -0.616 176.703 177.300 0.031 0.000 1.230 490 P CA 0.066 63.180 63.100 0.022 0.000 0.776 490 P CB 1.515 33.231 31.700 0.027 0.000 0.888 491 A N 2.768 125.609 122.820 0.034 0.000 2.569 491 A HA 0.679 5.003 4.320 0.006 0.000 0.290 491 A C -1.097 176.526 177.584 0.065 0.000 1.136 491 A CA -0.764 51.301 52.037 0.047 0.000 0.710 491 A CB 1.584 20.602 19.000 0.029 0.000 1.303 491 A HN 0.473 nan 8.150 nan 0.000 0.413 492 K N 1.159 121.612 120.400 0.088 0.000 2.358 492 K HA 0.431 4.754 4.320 0.006 0.000 0.260 492 K C -0.466 176.195 176.600 0.102 0.000 0.956 492 K CA -0.552 55.793 56.287 0.097 0.000 0.834 492 K CB 0.934 33.444 32.500 0.018 0.000 1.102 492 K HN 0.755 nan 8.250 nan 0.000 0.431 493 R N 2.343 122.858 120.500 0.025 0.000 2.698 493 R HA -0.049 4.295 4.340 0.006 0.000 0.266 493 R C 0.093 176.468 176.300 0.126 0.000 1.026 493 R CA 0.022 56.108 56.100 -0.023 0.000 1.102 493 R CB 0.301 30.391 30.300 -0.350 0.000 0.978 493 R HN 0.669 nan 8.270 nan 0.000 0.436 494 D N 1.164 121.692 120.400 0.213 0.000 2.488 494 D HA -0.061 4.582 4.640 0.006 0.000 0.238 494 D C 0.771 177.200 176.300 0.214 0.000 1.138 494 D CA 0.680 54.830 54.000 0.251 0.000 0.873 494 D CB 0.941 41.892 40.800 0.251 0.000 1.183 494 D HN 0.618 nan 8.370 nan 0.000 0.458 495 T N -0.651 114.004 114.554 0.168 0.000 3.054 495 T HA 0.106 4.459 4.350 0.006 0.000 0.255 495 T C 0.286 175.046 174.700 0.100 0.000 1.035 495 T CA -0.553 61.671 62.100 0.206 0.000 0.941 495 T CB 0.519 69.478 68.868 0.153 0.000 1.026 495 T HN 0.156 nan 8.240 nan 0.000 0.533 496 D N 3.149 123.593 120.400 0.074 0.000 2.312 496 D HA 0.450 5.094 4.640 0.006 0.000 0.248 496 D C 0.477 176.716 176.300 -0.103 0.000 1.086 496 D CA 0.092 54.105 54.000 0.021 0.000 0.948 496 D CB 1.725 42.582 40.800 0.095 0.000 1.162 496 D HN 0.466 nan 8.370 nan 0.000 0.446 497 T N -2.291 112.168 114.554 -0.158 0.000 2.942 497 T HA 0.645 4.999 4.350 0.006 0.000 0.289 497 T C 0.331 174.865 174.700 -0.277 0.000 1.044 497 T CA -0.994 60.926 62.100 -0.300 0.000 1.023 497 T CB 1.005 69.631 68.868 -0.403 0.000 1.123 497 T HN 0.176 nan 8.240 nan 0.000 0.512 498 M N 1.983 121.363 119.600 -0.367 0.000 2.185 498 M HA 0.272 4.755 4.480 0.006 0.000 0.357 498 M C 0.133 176.356 176.300 -0.129 0.000 1.260 498 M CA -0.524 54.617 55.300 -0.265 0.000 1.124 498 M CB 0.475 32.836 32.600 -0.397 0.000 1.600 498 M HN 0.790 nan 8.290 nan 0.000 0.467 499 D N 1.421 121.834 120.400 0.021 0.000 2.478 499 D HA -0.094 4.549 4.640 0.006 0.000 0.234 499 D C 1.257 177.687 176.300 0.216 0.000 1.154 499 D CA 0.711 54.802 54.000 0.152 0.000 0.874 499 D CB 0.976 41.951 40.800 0.292 0.000 1.198 499 D HN 0.724 nan 8.370 nan 0.000 0.455 500 T N 2.295 116.957 114.554 0.181 0.000 2.760 500 T HA -0.245 4.108 4.350 0.006 0.000 0.269 500 T C 1.646 176.459 174.700 0.190 0.000 1.047 500 T CA 1.475 63.669 62.100 0.155 0.000 1.139 500 T CB -0.480 68.435 68.868 0.079 0.000 0.855 500 T HN 0.446 nan 8.240 nan 0.000 0.471 501 F N -0.069 120.127 119.950 0.410 0.000 2.451 501 F HA 0.170 4.700 4.527 0.006 0.000 0.299 501 F C 1.733 177.840 175.800 0.513 0.000 1.101 501 F CA 0.185 58.473 58.000 0.480 0.000 1.436 501 F CB -0.611 38.687 39.000 0.496 0.000 1.074 501 F HN 0.212 nan 8.300 nan 0.000 0.553 502 F N 1.551 121.775 119.950 0.457 0.000 2.069 502 F HA -0.258 4.272 4.527 0.006 0.000 0.298 502 F C 2.191 178.223 175.800 0.387 0.000 1.113 502 F CA 1.909 60.113 58.000 0.339 0.000 1.214 502 F CB -0.542 38.616 39.000 0.264 0.000 0.978 502 F HN -0.096 nan 8.300 nan 0.000 0.474 503 D N -0.366 120.455 120.400 0.701 0.000 2.133 503 D HA -0.197 4.446 4.640 0.006 0.000 0.195 503 D C 2.350 178.885 176.300 0.392 0.000 0.997 503 D CA 1.915 56.299 54.000 0.640 0.000 0.840 503 D CB -0.964 40.092 40.800 0.427 0.000 0.947 503 D HN 0.409 nan 8.370 nan 0.000 0.452 504 S N -0.612 115.298 115.700 0.350 0.000 2.562 504 S HA 0.078 4.552 4.470 0.006 0.000 0.221 504 S C 1.726 176.675 174.600 0.581 0.000 0.975 504 S CA 0.026 58.433 58.200 0.344 0.000 0.918 504 S CB 0.165 63.495 63.200 0.216 0.000 0.772 504 S HN -0.033 nan 8.310 nan 0.000 0.531 505 S N 1.247 117.158 115.700 0.352 0.000 2.561 505 S HA 0.090 4.563 4.470 0.006 0.000 0.225 505 S C 0.902 175.631 174.600 0.215 0.000 0.977 505 S CA 0.497 58.790 58.200 0.156 0.000 0.926 505 S CB -0.387 62.353 63.200 -0.766 0.000 0.769 505 S HN 1.003 nan 8.310 nan 0.000 0.533 506 W N 0.021 121.281 121.300 -0.067 0.000 1.762 506 W HA 0.236 4.899 4.660 0.006 0.000 0.260 506 W C 0.577 176.744 176.519 -0.587 0.000 0.846 506 W CA -0.474 56.609 57.345 -0.437 0.000 1.326 506 W CB -1.088 28.375 29.460 0.004 0.000 1.010 506 W HN 0.338 nan 8.180 nan 0.000 0.482 507 Y N 1.712 121.459 120.300 -0.922 0.000 2.256 507 Y HA -0.220 4.333 4.550 0.006 0.000 0.288 507 Y C 2.438 177.724 175.900 -1.024 0.000 1.155 507 Y CA 1.737 59.205 58.100 -1.053 0.000 1.203 507 Y CB -1.767 35.992 38.460 -1.169 0.000 0.980 507 Y HN 0.014 nan 8.280 nan 0.000 0.530 508 Y N -0.525 119.061 120.300 -1.190 0.000 2.403 508 Y HA -0.019 4.535 4.550 0.005 0.000 0.291 508 Y C 1.780 177.512 175.900 -0.279 0.000 1.143 508 Y CA 0.827 58.477 58.100 -0.749 0.000 1.257 508 Y CB -1.213 36.857 38.460 -0.649 0.000 0.984 508 Y HN 0.209 nan 8.280 nan 0.000 0.550 509 L N -0.210 120.597 121.223 -0.693 0.000 2.131 509 L HA -0.017 4.327 4.340 0.006 0.000 0.206 509 L C 2.732 179.409 176.870 -0.321 0.000 1.087 509 L CA 0.967 55.513 54.840 -0.490 0.000 0.767 509 L CB -0.369 41.259 42.059 -0.719 0.000 0.917 509 L HN 0.076 nan 8.230 nan 0.000 0.441 510 R N -0.297 120.007 120.500 -0.326 0.000 2.096 510 R HA -0.205 4.138 4.340 0.006 0.000 0.235 510 R C 2.095 178.292 176.300 -0.170 0.000 1.127 510 R CA 1.656 57.631 56.100 -0.207 0.000 0.968 510 R CB -0.731 29.330 30.300 -0.399 0.000 0.861 510 R HN 0.217 nan 8.270 nan 0.000 0.440 511 Y N 0.286 120.426 120.300 -0.266 0.000 2.298 511 Y HA -0.197 4.356 4.550 0.005 0.000 0.287 511 Y C 2.374 178.060 175.900 -0.356 0.000 1.164 511 Y CA 1.735 59.645 58.100 -0.316 0.000 1.229 511 Y CB -1.151 37.098 38.460 -0.352 0.000 0.977 511 Y HN 0.327 nan 8.280 nan 0.000 0.538 512 T N -3.215 111.256 114.554 -0.138 0.000 3.072 512 T HA -0.054 4.300 4.350 0.006 0.000 0.266 512 T C 0.475 175.151 174.700 -0.040 0.000 1.127 512 T CA 1.275 63.293 62.100 -0.136 0.000 1.107 512 T CB -0.043 68.809 68.868 -0.026 0.000 0.910 512 T HN 0.141 nan 8.240 nan 0.000 0.513 513 D N 0.877 121.246 120.400 -0.052 0.000 3.449 513 D HA 0.230 4.873 4.640 0.006 0.000 0.262 513 D C -2.295 173.947 176.300 -0.096 0.000 1.343 513 D CA -1.441 52.537 54.000 -0.036 0.000 0.787 513 D CB 1.156 41.976 40.800 0.033 0.000 1.412 513 D HN 0.058 nan 8.370 nan 0.000 0.652 514 P HA -0.033 nan 4.420 nan 0.000 0.230 514 P C 0.319 177.426 177.300 -0.322 0.000 1.158 514 P CA 0.789 63.698 63.100 -0.318 0.000 0.769 514 P CB 0.111 31.505 31.700 -0.510 0.000 0.807 515 H N -2.401 116.702 119.070 0.055 0.000 2.785 515 H HA 0.182 4.741 4.556 0.005 0.000 0.268 515 H C 0.572 175.928 175.328 0.048 0.000 1.153 515 H CA -0.659 55.430 56.048 0.069 0.000 1.111 515 H CB 0.033 29.831 29.762 0.060 0.000 1.633 515 H HN -0.021 nan 8.280 nan 0.000 0.576 516 N N 2.439 121.169 118.700 0.049 0.000 2.452 516 N HA -0.067 4.676 4.740 0.006 0.000 0.266 516 N C 0.103 175.617 175.510 0.007 0.000 1.209 516 N CA 0.273 53.293 53.050 -0.049 0.000 0.929 516 N CB 0.794 39.148 38.487 -0.222 0.000 1.063 516 N HN 0.456 nan 8.380 nan 0.000 0.472 517 D N 2.660 123.131 120.400 0.119 0.000 2.368 517 D HA 0.083 4.726 4.640 0.006 0.000 0.218 517 D C 0.726 177.251 176.300 0.374 0.000 1.112 517 D CA 0.240 54.440 54.000 0.333 0.000 0.834 517 D CB 0.196 41.134 40.800 0.230 0.000 0.953 517 D HN 0.467 nan 8.370 nan 0.000 0.505 518 R N -0.658 119.891 120.500 0.080 0.000 2.369 518 R HA 0.414 4.757 4.340 0.006 0.000 0.210 518 R C 0.202 176.331 176.300 -0.285 0.000 0.881 518 R CA 0.059 56.194 56.100 0.059 0.000 1.031 518 R CB 1.175 31.470 30.300 -0.009 0.000 1.184 518 R HN 0.097 nan 8.270 nan 0.000 0.581 519 L N -0.355 120.295 121.223 -0.956 0.000 2.415 519 L HA 0.365 4.708 4.340 0.006 0.000 0.256 519 L C -2.094 173.485 176.870 -2.152 0.000 1.010 519 L CA -2.296 51.651 54.840 -1.489 0.000 0.826 519 L CB 2.734 44.238 42.059 -0.926 0.000 1.405 519 L HN -0.294 nan 8.230 nan 0.000 0.410 520 P HA -0.135 nan 4.420 nan 0.000 0.217 520 P C -0.817 176.144 177.300 -0.565 0.000 1.148 520 P CA 1.566 63.882 63.100 -1.307 0.000 0.828 520 P CB 0.077 31.138 31.700 -1.066 0.000 0.783 521 F N -5.274 114.328 119.950 -0.580 0.000 2.746 521 F HA 0.424 4.955 4.527 0.005 0.000 0.311 521 F C -1.403 174.226 175.800 -0.285 0.000 1.135 521 F CA -1.829 55.977 58.000 -0.324 0.000 0.954 521 F CB 0.243 39.156 39.000 -0.145 0.000 1.276 521 F HN -0.434 nan 8.300 nan 0.000 0.440 522 D N 2.998 123.385 120.400 -0.022 0.000 2.343 522 D HA 0.357 5.001 4.640 0.006 0.000 0.255 522 D C -1.796 174.601 176.300 0.161 0.000 1.187 522 D CA -2.270 51.718 54.000 -0.021 0.000 0.875 522 D CB 1.684 42.477 40.800 -0.011 0.000 1.136 522 D HN 0.260 nan 8.370 nan 0.000 0.469 523 P HA -0.173 nan 4.420 nan 0.000 0.217 523 P C 1.078 178.449 177.300 0.119 0.000 1.148 523 P CA 1.028 64.240 63.100 0.187 0.000 0.828 523 P CB 0.265 32.011 31.700 0.077 0.000 0.783 524 E N 0.152 120.389 120.200 0.063 0.000 2.058 524 E HA -0.230 4.123 4.350 0.006 0.000 0.194 524 E C 1.800 178.424 176.600 0.040 0.000 0.997 524 E CA 1.356 57.777 56.400 0.034 0.000 0.801 524 E CB -0.141 29.566 29.700 0.011 0.000 0.746 524 E HN 0.156 nan 8.360 nan 0.000 0.450 525 K N -0.025 120.417 120.400 0.070 0.000 2.025 525 K HA -0.095 4.228 4.320 0.006 0.000 0.207 525 K C 2.196 178.876 176.600 0.133 0.000 1.049 525 K CA 1.012 57.358 56.287 0.098 0.000 0.933 525 K CB -0.159 32.410 32.500 0.114 0.000 0.714 525 K HN 0.126 nan 8.250 nan 0.000 0.438 526 A N 2.099 124.991 122.820 0.121 0.000 1.883 526 A HA -0.203 4.120 4.320 0.006 0.000 0.217 526 A C 1.785 179.415 177.584 0.076 0.000 1.186 526 A CA 1.775 53.835 52.037 0.039 0.000 0.624 526 A CB -0.532 18.376 19.000 -0.153 0.000 0.822 526 A HN 0.246 nan 8.150 nan 0.000 0.444 527 N N 0.189 118.932 118.700 0.071 0.000 2.381 527 N HA -0.027 4.716 4.740 0.006 0.000 0.182 527 N C 1.724 177.239 175.510 0.009 0.000 1.025 527 N CA 1.254 54.334 53.050 0.050 0.000 0.888 527 N CB -0.442 38.072 38.487 0.046 0.000 0.965 527 N HN 0.499 nan 8.380 nan 0.000 0.438 528 A N -0.656 122.142 122.820 -0.037 0.000 1.929 528 A HA -0.046 4.277 4.320 0.006 0.000 0.216 528 A C 1.895 179.322 177.584 -0.262 0.000 1.176 528 A CA 0.699 52.623 52.037 -0.189 0.000 0.628 528 A CB -0.695 18.131 19.000 -0.290 0.000 0.816 528 A HN 0.373 nan 8.150 nan 0.000 0.444 529 W N -0.939 120.346 121.300 -0.025 0.000 2.704 529 W HA 0.253 4.916 4.660 0.006 0.000 0.266 529 W C 0.876 177.465 176.519 0.117 0.000 1.266 529 W CA -0.430 56.897 57.345 -0.030 0.000 1.377 529 W CB 0.163 29.512 29.460 -0.183 0.000 1.082 529 W HN 0.041 nan 8.180 nan 0.000 0.608 530 M N 2.037 121.822 119.600 0.308 0.000 2.228 530 M HA 0.187 4.671 4.480 0.006 0.000 0.326 530 M C -1.831 174.551 176.300 0.135 0.000 1.122 530 M CA -1.783 53.657 55.300 0.234 0.000 1.161 530 M CB -0.592 32.087 32.600 0.132 0.000 1.437 530 M HN -0.306 nan 8.290 nan 0.000 0.465 531 P HA 0.211 nan 4.420 nan 0.000 0.276 531 P C -0.658 176.676 177.300 0.057 0.000 1.261 531 P CA -0.542 62.582 63.100 0.040 0.000 0.800 531 P CB 0.426 32.121 31.700 -0.008 0.000 1.066 532 V N 2.536 122.373 119.914 -0.129 0.000 2.509 532 V HA -0.084 4.039 4.120 0.006 0.000 0.297 532 V C 1.604 177.661 176.094 -0.063 0.000 1.014 532 V CA 0.959 63.068 62.300 -0.319 0.000 1.127 532 V CB -0.685 30.827 31.823 -0.518 0.000 0.925 532 V HN 0.561 nan 8.190 nan 0.000 0.480 533 D N 3.092 123.490 120.400 -0.004 0.000 2.123 533 D HA -0.044 4.599 4.640 0.006 0.000 0.200 533 D C 0.909 177.223 176.300 0.024 0.000 0.976 533 D CA 1.148 55.163 54.000 0.025 0.000 0.831 533 D CB 0.472 41.281 40.800 0.015 0.000 0.974 533 D HN 0.583 nan 8.370 nan 0.000 0.469 534 Q N -0.388 119.416 119.800 0.007 0.000 2.275 534 Q HA 0.158 4.501 4.340 0.006 0.000 0.266 534 Q C -1.912 174.118 176.000 0.050 0.000 1.002 534 Q CA -0.604 55.218 55.803 0.032 0.000 0.761 534 Q CB 1.091 29.841 28.738 0.019 0.000 1.255 534 Q HN -0.074 nan 8.270 nan 0.000 0.446 535 Y N 4.543 124.754 120.300 -0.148 0.000 2.330 535 Y HA 0.637 5.190 4.550 0.005 0.000 0.336 535 Y C -1.005 174.795 175.900 -0.167 0.000 1.036 535 Y CA -1.583 56.365 58.100 -0.254 0.000 1.125 535 Y CB 0.851 38.992 38.460 -0.531 0.000 1.194 535 Y HN 0.653 nan 8.280 nan 0.000 0.469 536 I N 5.343 125.853 120.570 -0.099 0.000 2.447 536 I HA 0.735 4.908 4.170 0.006 0.000 0.287 536 I C 0.159 176.099 176.117 -0.294 0.000 1.023 536 I CA -0.493 60.727 61.300 -0.133 0.000 1.083 536 I CB 1.772 39.788 38.000 0.025 0.000 1.245 536 I HN 0.717 nan 8.210 nan 0.000 0.434 537 G N 3.287 111.898 108.800 -0.316 0.000 2.441 537 G HA2 0.516 4.479 3.960 0.006 0.000 0.294 537 G HA3 0.516 4.479 3.960 0.006 0.000 0.294 537 G C -1.031 173.775 174.900 -0.157 0.000 1.393 537 G CA -0.518 44.439 45.100 -0.238 0.000 0.796 537 G HN 0.747 nan 8.290 nan 0.000 0.494 538 G N -1.137 107.634 108.800 -0.049 0.000 2.467 538 G HA2 0.504 4.467 3.960 0.006 0.000 0.257 538 G HA3 0.504 4.467 3.960 0.006 0.000 0.257 538 G C 1.117 175.995 174.900 -0.036 0.000 1.227 538 G CA 0.409 45.493 45.100 -0.025 0.000 0.835 538 G HN 1.289 nan 8.290 nan 0.000 0.556 539 V N 1.509 121.381 119.914 -0.070 0.000 2.867 539 V HA -0.109 4.015 4.120 0.006 0.000 0.260 539 V C 2.658 178.704 176.094 -0.081 0.000 1.099 539 V CA 2.278 64.529 62.300 -0.082 0.000 1.122 539 V CB -0.424 31.348 31.823 -0.084 0.000 0.708 539 V HN 0.912 nan 8.190 nan 0.000 0.490 540 E N -0.941 119.202 120.200 -0.095 0.000 2.331 540 E HA -0.271 4.083 4.350 0.006 0.000 0.199 540 E C 1.301 177.746 176.600 -0.258 0.000 1.008 540 E CA 1.532 57.835 56.400 -0.161 0.000 0.843 540 E CB -0.609 28.995 29.700 -0.160 0.000 0.761 540 E HN 0.773 nan 8.360 nan 0.000 0.507 541 H N 0.004 119.062 119.070 -0.019 0.000 2.529 541 H HA 0.377 4.937 4.556 0.005 0.000 0.277 541 H C 1.769 177.018 175.328 -0.133 0.000 1.004 541 H CA 0.501 56.536 56.048 -0.022 0.000 1.167 541 H CB 0.428 30.261 29.762 0.118 0.000 1.445 541 H HN 0.317 nan 8.280 nan 0.000 0.554 542 A N 1.010 123.781 122.820 -0.082 0.000 1.927 542 A HA -0.165 4.159 4.320 0.006 0.000 0.220 542 A C 2.214 179.680 177.584 -0.197 0.000 1.185 542 A CA 2.398 54.379 52.037 -0.094 0.000 0.639 542 A CB -0.562 18.384 19.000 -0.089 0.000 0.820 542 A HN 0.296 nan 8.150 nan 0.000 0.451 543 V N -4.291 115.370 119.914 -0.423 0.000 3.380 543 V HA 0.466 4.589 4.120 0.006 0.000 0.307 543 V C 1.158 176.660 176.094 -0.987 0.000 1.434 543 V CA -0.014 61.836 62.300 -0.751 0.000 1.075 543 V CB -0.466 30.608 31.823 -1.248 0.000 0.954 543 V HN 0.331 nan 8.190 nan 0.000 0.444 544 L N -0.179 120.569 121.223 -0.793 0.000 2.578 544 L HA 0.405 4.749 4.340 0.006 0.000 0.193 544 L C 2.361 178.752 176.870 -0.799 0.000 1.422 544 L CA 0.713 54.898 54.840 -1.091 0.000 2.947 544 L CB -0.673 40.915 42.059 -0.785 0.000 2.780 544 L HN 0.342 nan 8.230 nan 0.000 1.031 545 H N 0.226 119.204 119.070 -0.154 0.000 2.390 545 H HA -0.156 4.403 4.556 0.006 0.000 0.298 545 H C 1.860 177.307 175.328 0.199 0.000 1.106 545 H CA 1.952 58.138 56.048 0.230 0.000 1.297 545 H CB -0.205 29.726 29.762 0.282 0.000 1.375 545 H HN 0.213 nan 8.280 nan 0.000 0.509 546 L N -0.503 120.693 121.223 -0.046 0.000 2.376 546 L HA -0.065 4.279 4.340 0.006 0.000 0.219 546 L C 2.075 179.028 176.870 0.139 0.000 1.133 546 L CA 0.382 55.254 54.840 0.053 0.000 0.816 546 L CB -0.144 41.963 42.059 0.081 0.000 0.933 546 L HN 0.320 nan 8.230 nan 0.000 0.449 547 L N -1.854 119.314 121.223 -0.091 0.000 2.189 547 L HA -0.028 4.316 4.340 0.006 0.000 0.199 547 L C 2.321 179.203 176.870 0.020 0.000 1.074 547 L CA 1.399 56.181 54.840 -0.097 0.000 0.783 547 L CB -0.507 41.368 42.059 -0.307 0.000 0.955 547 L HN -0.011 nan 8.230 nan 0.000 0.460 548 Y N 0.064 120.306 120.300 -0.096 0.000 2.165 548 Y HA -0.191 4.363 4.550 0.005 0.000 0.286 548 Y C 2.865 178.918 175.900 0.256 0.000 1.155 548 Y CA 1.251 59.332 58.100 -0.032 0.000 1.164 548 Y CB -1.449 36.817 38.460 -0.323 0.000 0.978 548 Y HN 0.201 nan 8.280 nan 0.000 0.513 549 S N -0.245 115.646 115.700 0.319 0.000 2.382 549 S HA -0.179 4.294 4.470 0.006 0.000 0.228 549 S C 2.073 176.811 174.600 0.230 0.000 1.027 549 S CA 1.213 59.594 58.200 0.302 0.000 0.991 549 S CB -0.204 63.111 63.200 0.192 0.000 0.823 549 S HN 0.447 nan 8.310 nan 0.000 0.469 550 R N 0.074 120.677 120.500 0.173 0.000 2.075 550 R HA -0.052 4.291 4.340 0.006 0.000 0.232 550 R C 2.105 178.527 176.300 0.202 0.000 1.126 550 R CA 1.456 57.621 56.100 0.109 0.000 0.963 550 R CB -0.527 29.821 30.300 0.080 0.000 0.858 550 R HN 0.431 nan 8.270 nan 0.000 0.435 551 F N 1.153 121.188 119.950 0.141 0.000 2.069 551 F HA -0.211 4.319 4.527 0.005 0.000 0.298 551 F C 1.776 177.636 175.800 0.099 0.000 1.113 551 F CA 1.273 59.313 58.000 0.067 0.000 1.214 551 F CB -0.559 38.552 39.000 0.185 0.000 0.978 551 F HN -0.159 nan 8.300 nan 0.000 0.474 552 F N 0.906 120.723 119.950 -0.222 0.000 2.126 552 F HA -0.181 4.349 4.527 0.006 0.000 0.299 552 F C 2.680 178.455 175.800 -0.042 0.000 1.096 552 F CA 2.060 59.917 58.000 -0.238 0.000 1.255 552 F CB -1.367 37.659 39.000 0.043 0.000 0.997 552 F HN -0.046 nan 8.300 nan 0.000 0.479 553 T N -0.433 114.252 114.554 0.218 0.000 2.777 553 T HA -0.163 4.191 4.350 0.006 0.000 0.266 553 T C 1.995 176.763 174.700 0.112 0.000 1.040 553 T CA 1.301 63.496 62.100 0.159 0.000 1.141 553 T CB -0.145 68.773 68.868 0.084 0.000 0.868 553 T HN 0.174 nan 8.240 nan 0.000 0.444 554 K N 0.258 120.707 120.400 0.082 0.000 2.097 554 K HA -0.037 4.286 4.320 0.006 0.000 0.206 554 K C 1.973 178.701 176.600 0.214 0.000 1.049 554 K CA 1.109 57.499 56.287 0.172 0.000 0.933 554 K CB -0.311 32.347 32.500 0.264 0.000 0.717 554 K HN 0.271 nan 8.250 nan 0.000 0.442 555 F N 1.873 121.698 119.950 -0.208 0.000 2.102 555 F HA -0.155 4.375 4.527 0.006 0.000 0.298 555 F C 1.683 177.457 175.800 -0.043 0.000 1.105 555 F CA 1.381 59.266 58.000 -0.192 0.000 1.239 555 F CB -0.248 38.394 39.000 -0.596 0.000 0.991 555 F HN -0.126 nan 8.300 nan 0.000 0.474 556 L N -0.589 120.509 121.223 -0.209 0.000 2.141 556 L HA -0.189 4.154 4.340 0.006 0.000 0.209 556 L C 2.489 179.318 176.870 -0.069 0.000 1.094 556 L CA 1.466 56.201 54.840 -0.175 0.000 0.763 556 L CB -1.032 41.110 42.059 0.137 0.000 0.908 556 L HN 0.274 nan 8.230 nan 0.000 0.437 557 H N 0.484 119.524 119.070 -0.050 0.000 2.293 557 H HA -0.196 4.363 4.556 0.005 0.000 0.300 557 H C 1.803 177.098 175.328 -0.054 0.000 1.082 557 H CA 2.084 58.123 56.048 -0.014 0.000 1.308 557 H CB 0.016 29.795 29.762 0.028 0.000 1.375 557 H HN 0.186 nan 8.280 nan 0.000 0.495 558 D N 0.259 120.611 120.400 -0.081 0.000 2.182 558 D HA -0.129 4.515 4.640 0.006 0.000 0.201 558 D C 2.100 178.248 176.300 -0.255 0.000 0.986 558 D CA 0.856 54.776 54.000 -0.133 0.000 0.847 558 D CB -0.198 40.642 40.800 0.067 0.000 0.942 558 D HN 0.438 nan 8.370 nan 0.000 0.467 559 L N -0.615 120.375 121.223 -0.388 0.000 2.551 559 L HA 0.059 4.403 4.340 0.006 0.000 0.228 559 L C 1.512 178.252 176.870 -0.218 0.000 1.153 559 L CA 0.642 55.273 54.840 -0.347 0.000 0.851 559 L CB -0.201 41.583 42.059 -0.459 0.000 0.959 559 L HN 0.183 nan 8.230 nan 0.000 0.451 560 G N -0.687 107.977 108.800 -0.226 0.000 2.157 560 G HA2 -0.318 3.646 3.960 0.006 0.000 0.248 560 G HA3 -0.318 3.646 3.960 0.006 0.000 0.248 560 G C 0.773 175.615 174.900 -0.095 0.000 0.979 560 G CA 0.445 45.439 45.100 -0.178 0.000 0.650 560 G HN 0.300 nan 8.290 nan 0.000 0.529 561 M N -0.460 119.105 119.600 -0.058 0.000 2.510 561 M HA 0.295 4.778 4.480 0.006 0.000 0.256 561 M C 0.274 176.703 176.300 0.214 0.000 1.132 561 M CA 0.891 56.214 55.300 0.038 0.000 1.105 561 M CB 0.797 33.374 32.600 -0.039 0.000 1.375 561 M HN 0.053 nan 8.290 nan 0.000 0.477 562 V N 0.127 120.141 119.914 0.167 0.000 2.623 562 V HA 0.164 4.288 4.120 0.006 0.000 0.304 562 V C 0.508 176.740 176.094 0.230 0.000 1.054 562 V CA -0.877 61.542 62.300 0.200 0.000 0.882 562 V CB 2.180 34.125 31.823 0.204 0.000 1.002 562 V HN 0.135 nan 8.190 nan 0.000 0.424 563 K N 3.309 123.818 120.400 0.182 0.000 2.031 563 K HA -0.019 4.304 4.320 0.006 0.000 0.205 563 K C 0.847 177.568 176.600 0.202 0.000 1.049 563 K CA 1.498 57.909 56.287 0.206 0.000 0.939 563 K CB 0.218 32.781 32.500 0.104 0.000 0.717 563 K HN 0.706 nan 8.250 nan 0.000 0.438 564 V N 0.174 120.138 119.914 0.083 0.000 3.096 564 V HA 0.058 4.181 4.120 0.006 0.000 0.306 564 V C 0.420 176.433 176.094 -0.135 0.000 1.088 564 V CA -0.012 62.270 62.300 -0.030 0.000 1.129 564 V CB 1.328 33.133 31.823 -0.030 0.000 1.014 564 V HN 0.284 nan 8.190 nan 0.000 0.486 565 E N 0.112 120.168 120.200 -0.241 0.000 2.489 565 E HA 0.201 4.554 4.350 0.006 0.000 0.204 565 E C -0.314 176.201 176.600 -0.141 0.000 1.006 565 E CA -0.025 56.220 56.400 -0.258 0.000 0.936 565 E CB 0.562 30.058 29.700 -0.340 0.000 1.002 565 E HN 0.745 nan 8.360 nan 0.000 0.488 566 E N 1.057 121.172 120.200 -0.142 0.000 2.216 566 E HA 0.145 4.498 4.350 0.006 0.000 0.260 566 E C -1.995 174.473 176.600 -0.220 0.000 0.880 566 E CA -2.012 54.291 56.400 -0.163 0.000 0.765 566 E CB 1.946 31.559 29.700 -0.145 0.000 1.174 566 E HN -0.072 nan 8.360 nan 0.000 0.417 567 P HA 0.016 nan 4.420 nan 0.000 0.220 567 P C 0.001 176.873 177.300 -0.713 0.000 1.152 567 P CA 0.684 63.342 63.100 -0.737 0.000 0.812 567 P CB 0.225 31.080 31.700 -1.408 0.000 0.792 568 F N 0.385 120.281 119.950 -0.090 0.000 2.366 568 F HA 0.436 4.966 4.527 0.006 0.000 0.366 568 F C 1.741 177.685 175.800 0.239 0.000 1.096 568 F CA -1.137 56.858 58.000 -0.009 0.000 1.060 568 F CB 0.629 39.649 39.000 0.035 0.000 1.282 568 F HN -0.191 nan 8.300 nan 0.000 0.450 569 Q N 2.330 122.274 119.800 0.240 0.000 2.123 569 Q HA 0.112 4.456 4.340 0.006 0.000 0.199 569 Q C 0.642 176.815 176.000 0.288 0.000 0.966 569 Q CA 1.009 56.932 55.803 0.201 0.000 0.845 569 Q CB 0.236 29.030 28.738 0.094 0.000 0.907 569 Q HN 0.854 nan 8.270 nan 0.000 0.439 570 G N 0.827 109.773 108.800 0.244 0.000 2.513 570 G HA2 0.510 4.473 3.960 0.006 0.000 0.317 570 G HA3 0.510 4.473 3.960 0.006 0.000 0.317 570 G C -1.993 172.961 174.900 0.091 0.000 1.277 570 G CA -0.536 44.685 45.100 0.203 0.000 0.955 570 G HN 0.165 nan 8.290 nan 0.000 0.484 571 L N 2.081 123.246 121.223 -0.098 0.000 2.381 571 L HA 0.845 5.188 4.340 0.006 0.000 0.274 571 L C -1.867 174.885 176.870 -0.197 0.000 0.988 571 L CA -1.110 53.496 54.840 -0.390 0.000 0.824 571 L CB 1.744 43.053 42.059 -1.249 0.000 1.263 571 L HN 0.398 nan 8.230 nan 0.000 0.410 572 F N 3.562 123.355 119.950 -0.261 0.000 2.460 572 F HA 0.585 5.115 4.527 0.005 0.000 0.341 572 F C -0.090 175.578 175.800 -0.219 0.000 1.130 572 F CA -0.375 57.511 58.000 -0.191 0.000 0.962 572 F CB 1.723 40.642 39.000 -0.135 0.000 1.171 572 F HN 0.629 nan 8.300 nan 0.000 0.436 573 T N 3.928 118.296 114.554 -0.309 0.000 2.728 573 T HA 0.319 4.673 4.350 0.006 0.000 0.296 573 T C -0.309 174.357 174.700 -0.057 0.000 0.940 573 T CA -0.926 61.066 62.100 -0.179 0.000 1.013 573 T CB 1.085 69.820 68.868 -0.221 0.000 0.912 573 T HN 0.619 nan 8.240 nan 0.000 0.484 574 Q N 3.390 123.252 119.800 0.103 0.000 2.293 574 Q HA 0.403 4.746 4.340 0.006 0.000 0.251 574 Q C 0.286 176.313 176.000 0.044 0.000 0.930 574 Q CA -0.522 55.378 55.803 0.162 0.000 0.893 574 Q CB 0.903 29.724 28.738 0.138 0.000 1.215 574 Q HN 0.835 nan 8.270 nan 0.000 0.425 575 G N 3.376 112.204 108.800 0.047 0.000 2.569 575 G HA2 0.306 4.270 3.960 0.006 0.000 0.249 575 G HA3 0.306 4.270 3.960 0.006 0.000 0.249 575 G C 0.160 175.063 174.900 0.005 0.000 1.216 575 G CA -0.738 44.367 45.100 0.007 0.000 0.845 575 G HN 0.633 nan 8.290 nan 0.000 0.568 576 M N 0.765 120.356 119.600 -0.014 0.000 2.239 576 M HA 0.076 4.559 4.480 0.006 0.000 0.348 576 M C 0.285 176.578 176.300 -0.013 0.000 1.239 576 M CA -0.167 55.119 55.300 -0.022 0.000 1.114 576 M CB 1.017 33.597 32.600 -0.033 0.000 1.641 576 M HN 0.065 nan 8.290 nan 0.000 0.453 577 V N 5.629 125.537 119.914 -0.011 0.000 2.521 577 V HA 0.192 4.316 4.120 0.006 0.000 0.286 577 V C 0.473 176.548 176.094 -0.032 0.000 1.034 577 V CA -0.209 62.096 62.300 0.008 0.000 1.045 577 V CB 0.130 31.968 31.823 0.025 0.000 0.974 577 V HN 0.647 nan 8.190 nan 0.000 0.480 578 L N 4.215 125.428 121.223 -0.017 0.000 2.334 578 L HA 0.941 5.284 4.340 0.006 0.000 0.270 578 L C 0.119 176.983 176.870 -0.010 0.000 1.018 578 L CA -0.672 54.138 54.840 -0.050 0.000 0.811 578 L CB 1.693 43.697 42.059 -0.091 0.000 1.271 578 L HN 0.669 nan 8.230 nan 0.000 0.443 579 A N 0.220 123.030 122.820 -0.017 0.000 2.414 579 A HA 0.565 4.888 4.320 0.006 0.000 0.306 579 A C -1.701 175.944 177.584 0.101 0.000 1.054 579 A CA -0.505 51.582 52.037 0.084 0.000 0.724 579 A CB 0.594 19.642 19.000 0.081 0.000 1.267 579 A HN 0.670 nan 8.150 nan 0.000 0.418 580 W N 1.829 123.270 121.300 0.236 0.000 2.443 580 W HA 0.299 4.961 4.660 0.005 0.000 0.335 580 W C 0.238 176.999 176.519 0.404 0.000 1.382 580 W CA 1.328 58.879 57.345 0.343 0.000 1.305 580 W CB 0.639 30.295 29.460 0.327 0.000 1.283 580 W HN 0.570 nan 8.180 nan 0.000 0.567 581 T N 3.621 118.516 114.554 0.568 0.000 2.848 581 T HA 0.050 4.403 4.350 0.006 0.000 0.285 581 T C -0.972 173.556 174.700 -0.287 0.000 0.995 581 T CA -0.817 61.319 62.100 0.059 0.000 0.970 581 T CB 1.400 70.148 68.868 -0.199 0.000 0.976 581 T HN 0.139 nan 8.240 nan 0.000 0.441 582 D N 1.540 121.377 120.400 -0.939 0.000 2.325 582 D HA 0.226 4.870 4.640 0.006 0.000 0.251 582 D C -0.079 175.763 176.300 -0.763 0.000 1.196 582 D CA -0.548 52.655 54.000 -1.328 0.000 0.866 582 D CB 0.411 40.346 40.800 -1.441 0.000 1.101 582 D HN 0.411 nan 8.370 nan 0.000 0.476 583 F N 2.118 121.853 119.950 -0.359 0.000 2.749 583 F HA 0.314 4.845 4.527 0.007 0.000 0.300 583 F C 1.679 177.336 175.800 -0.238 0.000 1.103 583 F CA 0.744 58.618 58.000 -0.210 0.000 1.342 583 F CB 0.373 39.305 39.000 -0.115 0.000 1.098 583 F HN 0.600 nan 8.300 nan 0.000 0.586 584 G N 0.201 108.867 108.800 -0.225 0.000 2.384 584 G HA2 -0.042 3.921 3.960 0.006 0.000 0.668 584 G HA3 -0.042 3.921 3.960 0.006 0.000 0.668 584 G C -3.097 171.414 174.900 -0.649 0.000 1.280 584 G CA -1.377 43.427 45.100 -0.494 0.000 0.992 584 G HN -0.181 nan 8.290 nan 0.000 0.512 585 P HA 0.505 nan 4.420 nan 0.000 0.272 585 P C 0.211 177.412 177.300 -0.164 0.000 1.223 585 P CA 0.291 63.112 63.100 -0.465 0.000 0.784 585 P CB 1.462 32.975 31.700 -0.311 0.000 0.923 586 V N -1.119 118.766 119.914 -0.048 0.000 3.167 586 V HA 0.683 4.806 4.120 0.006 0.000 0.310 586 V C -0.809 175.298 176.094 0.022 0.000 1.207 586 V CA -1.092 61.206 62.300 -0.004 0.000 1.059 586 V CB 2.195 34.033 31.823 0.024 0.000 1.079 586 V HN 0.460 nan 8.190 nan 0.000 0.446 587 E N 0.318 120.531 120.200 0.021 0.000 2.266 587 E HA 0.731 5.085 4.350 0.006 0.000 0.268 587 E C -1.649 174.968 176.600 0.030 0.000 0.879 587 E CA -0.860 55.557 56.400 0.029 0.000 0.762 587 E CB 2.734 32.447 29.700 0.021 0.000 1.199 587 E HN 0.596 nan 8.360 nan 0.000 0.422 588 V N 2.043 121.978 119.914 0.034 0.000 2.495 588 V HA 0.393 4.516 4.120 0.006 0.000 0.298 588 V C -0.608 175.502 176.094 0.026 0.000 1.031 588 V CA -0.693 61.626 62.300 0.032 0.000 0.871 588 V CB 1.624 33.470 31.823 0.039 0.000 0.988 588 V HN 0.666 nan 8.190 nan 0.000 0.432 589 E N 3.453 123.666 120.200 0.022 0.000 2.244 589 E HA 0.631 4.985 4.350 0.006 0.000 0.260 589 E C 0.392 177.002 176.600 0.017 0.000 0.884 589 E CA 0.628 57.039 56.400 0.019 0.000 0.777 589 E CB 1.353 31.062 29.700 0.016 0.000 1.197 589 E HN 1.014 nan 8.360 nan 0.000 0.416 590 G N 3.513 112.323 108.800 0.017 0.000 2.583 590 G HA2 -0.379 3.584 3.960 0.006 0.000 0.292 590 G HA3 -0.379 3.584 3.960 0.006 0.000 0.292 590 G C 0.954 175.864 174.900 0.018 0.000 1.203 590 G CA 0.650 45.759 45.100 0.016 0.000 0.987 590 G HN 1.217 nan 8.290 nan 0.000 0.554 591 S N -0.681 115.029 115.700 0.016 0.000 2.593 591 S HA 0.464 4.937 4.470 0.006 0.000 0.217 591 S C 0.631 175.241 174.600 0.017 0.000 0.966 591 S CA 0.967 59.177 58.200 0.017 0.000 0.914 591 S CB 0.363 63.572 63.200 0.014 0.000 0.776 591 S HN 1.255 nan 8.310 nan 0.000 0.523 592 V N 2.385 122.309 119.914 0.016 0.000 2.398 592 V HA 0.435 4.558 4.120 0.006 0.000 0.286 592 V C -0.347 175.757 176.094 0.018 0.000 1.026 592 V CA -0.791 61.518 62.300 0.015 0.000 0.868 592 V CB 1.595 33.425 31.823 0.011 0.000 0.982 592 V HN 0.265 nan 8.190 nan 0.000 0.443 593 V N 5.713 125.637 119.914 0.018 0.000 2.364 593 V HA 0.424 4.547 4.120 0.006 0.000 0.272 593 V C 0.412 176.513 176.094 0.012 0.000 1.036 593 V CA -0.630 61.683 62.300 0.021 0.000 0.880 593 V CB 1.194 33.034 31.823 0.027 0.000 0.991 593 V HN 0.845 nan 8.190 nan 0.000 0.460 594 R N 5.109 125.616 120.500 0.011 0.000 2.265 594 R HA 0.507 4.850 4.340 0.006 0.000 0.314 594 R C -1.053 175.247 176.300 -0.001 0.000 1.053 594 R CA -0.516 55.587 56.100 0.005 0.000 0.931 594 R CB 0.564 30.867 30.300 0.005 0.000 1.024 594 R HN 0.701 nan 8.270 nan 0.000 0.457 595 L N 7.531 128.750 121.223 -0.007 0.000 2.262 595 L HA 0.414 4.758 4.340 0.006 0.000 0.288 595 L C -2.003 174.856 176.870 -0.018 0.000 1.035 595 L CA -2.412 52.419 54.840 -0.015 0.000 0.820 595 L CB 1.487 43.534 42.059 -0.020 0.000 1.204 595 L HN 0.493 nan 8.230 nan 0.000 0.424 596 P HA 0.003 nan 4.420 nan 0.000 0.268 596 P C 0.575 177.861 177.300 -0.023 0.000 1.208 596 P CA -0.208 62.878 63.100 -0.024 0.000 0.777 596 P CB 0.794 32.472 31.700 -0.037 0.000 0.875 597 E N 2.591 122.781 120.200 -0.017 0.000 2.070 597 E HA -0.181 4.173 4.350 0.006 0.000 0.197 597 E C -0.717 175.874 176.600 -0.014 0.000 1.004 597 E CA 2.228 58.620 56.400 -0.013 0.000 0.805 597 E CB -2.088 27.606 29.700 -0.010 0.000 0.744 597 E HN 0.490 nan 8.360 nan 0.000 0.451 598 P HA -0.060 nan 4.420 nan 0.000 0.217 598 P C 1.379 178.670 177.300 -0.014 0.000 1.150 598 P CA 1.496 64.584 63.100 -0.020 0.000 0.832 598 P CB -0.103 31.578 31.700 -0.033 0.000 0.787 599 T N -0.686 113.852 114.554 -0.026 0.000 2.737 599 T HA -0.142 4.211 4.350 0.006 0.000 0.265 599 T C 1.905 176.613 174.700 0.013 0.000 1.038 599 T CA 1.089 63.183 62.100 -0.009 0.000 1.144 599 T CB -0.477 68.364 68.868 -0.044 0.000 0.866 599 T HN 0.108 nan 8.240 nan 0.000 0.434 600 R N 0.593 121.088 120.500 -0.009 0.000 2.083 600 R HA -0.035 4.309 4.340 0.006 0.000 0.237 600 R C 2.406 178.704 176.300 -0.003 0.000 1.137 600 R CA 1.394 57.484 56.100 -0.017 0.000 0.951 600 R CB -0.450 29.840 30.300 -0.018 0.000 0.851 600 R HN 0.388 nan 8.270 nan 0.000 0.434 601 I N 0.235 120.810 120.570 0.008 0.000 2.226 601 I HA -0.264 3.909 4.170 0.006 0.000 0.245 601 I C 2.598 178.743 176.117 0.046 0.000 1.100 601 I CA 1.249 62.559 61.300 0.017 0.000 1.374 601 I CB -0.238 37.769 38.000 0.010 0.000 1.057 601 I HN 0.212 nan 8.210 nan 0.000 0.413 602 R N 0.461 121.009 120.500 0.081 0.000 2.096 602 R HA -0.106 4.237 4.340 0.006 0.000 0.235 602 R C 2.289 178.763 176.300 0.291 0.000 1.127 602 R CA 1.184 57.391 56.100 0.179 0.000 0.968 602 R CB -0.282 30.137 30.300 0.198 0.000 0.861 602 R HN 0.352 nan 8.270 nan 0.000 0.440 603 L N 0.774 122.070 121.223 0.123 0.000 2.275 603 L HA -0.096 4.247 4.340 0.006 0.000 0.215 603 L C 0.114 176.923 176.870 -0.101 0.000 1.119 603 L CA 0.852 55.573 54.840 -0.199 0.000 0.790 603 L CB -0.223 41.648 42.059 -0.313 0.000 0.919 603 L HN 0.287 nan 8.230 nan 0.000 0.443 604 E N 0.448 120.636 120.200 -0.020 0.000 2.340 604 E HA -0.223 4.130 4.350 0.006 0.000 0.240 604 E C -0.344 176.235 176.600 -0.034 0.000 1.154 604 E CA 0.475 56.868 56.400 -0.012 0.000 0.717 604 E CB -1.698 28.006 29.700 0.007 0.000 1.250 604 E HN 0.618 nan 8.360 nan 0.000 0.386 605 I N -4.190 116.354 120.570 -0.044 0.000 2.785 605 I HA 0.528 4.702 4.170 0.006 0.000 0.302 605 I C -1.901 174.199 176.117 -0.028 0.000 1.069 605 I CA -2.521 58.753 61.300 -0.044 0.000 1.045 605 I CB 2.027 39.987 38.000 -0.067 0.000 1.236 605 I HN -0.280 nan 8.210 nan 0.000 0.429 606 P HA 0.071 nan 4.420 nan 0.000 0.231 606 P C 0.013 177.305 177.300 -0.014 0.000 1.168 606 P CA 0.690 63.782 63.100 -0.014 0.000 0.779 606 P CB 0.173 31.867 31.700 -0.009 0.000 0.844 607 E N 0.009 120.197 120.200 -0.020 0.000 2.344 607 E HA 0.165 4.518 4.350 0.006 0.000 0.270 607 E C 0.882 177.472 176.600 -0.017 0.000 1.021 607 E CA 0.211 56.600 56.400 -0.017 0.000 0.887 607 E CB 0.317 30.005 29.700 -0.020 0.000 0.997 607 E HN -0.046 nan 8.360 nan 0.000 0.429 608 S N 1.372 117.065 115.700 -0.012 0.000 2.535 608 S HA 0.293 4.767 4.470 0.006 0.000 0.214 608 S C 0.137 174.732 174.600 -0.008 0.000 0.980 608 S CA 0.064 58.258 58.200 -0.010 0.000 0.907 608 S CB 0.537 63.733 63.200 -0.007 0.000 0.790 608 S HN 0.549 nan 8.310 nan 0.000 0.510 609 A N 1.328 124.144 122.820 -0.007 0.000 2.398 609 A HA 0.785 5.108 4.320 0.006 0.000 0.301 609 A C -1.140 176.442 177.584 -0.004 0.000 1.041 609 A CA -0.561 51.474 52.037 -0.003 0.000 0.711 609 A CB 1.099 20.099 19.000 0.000 0.000 1.240 609 A HN 0.291 nan 8.150 nan 0.000 0.420 610 L N 1.842 123.065 121.223 -0.001 0.000 2.370 610 L HA 0.586 4.929 4.340 0.006 0.000 0.266 610 L C 0.765 177.640 176.870 0.008 0.000 1.002 610 L CA -0.805 54.036 54.840 0.000 0.000 0.818 610 L CB 2.441 44.499 42.059 -0.002 0.000 1.325 610 L HN 0.885 nan 8.230 nan 0.000 0.418 611 S N 1.328 117.034 115.700 0.009 0.000 2.614 611 S HA 0.318 4.791 4.470 0.006 0.000 0.265 611 S C 1.142 175.754 174.600 0.019 0.000 1.303 611 S CA -0.697 57.511 58.200 0.013 0.000 1.000 611 S CB 0.850 64.057 63.200 0.011 0.000 0.935 611 S HN 0.604 nan 8.310 nan 0.000 0.551 612 L N 0.533 121.770 121.223 0.023 0.000 2.079 612 L HA -0.148 4.196 4.340 0.006 0.000 0.210 612 L C 2.928 179.816 176.870 0.031 0.000 1.081 612 L CA 2.077 56.936 54.840 0.031 0.000 0.752 612 L CB -0.664 41.413 42.059 0.030 0.000 0.896 612 L HN 0.957 nan 8.230 nan 0.000 0.433 613 E N 0.272 120.486 120.200 0.023 0.000 2.072 613 E HA -0.240 4.113 4.350 0.006 0.000 0.191 613 E C 1.568 178.180 176.600 0.020 0.000 0.985 613 E CA 1.395 57.808 56.400 0.022 0.000 0.801 613 E CB 0.077 29.787 29.700 0.016 0.000 0.750 613 E HN 0.427 nan 8.360 nan 0.000 0.452 614 D N 0.437 120.846 120.400 0.015 0.000 2.104 614 D HA -0.154 4.489 4.640 0.006 0.000 0.194 614 D C 2.132 178.440 176.300 0.014 0.000 0.994 614 D CA 1.243 55.249 54.000 0.009 0.000 0.830 614 D CB -0.262 40.539 40.800 0.003 0.000 0.959 614 D HN 0.134 nan 8.370 nan 0.000 0.452 615 V N 0.990 120.919 119.914 0.025 0.000 2.295 615 V HA -0.240 3.883 4.120 0.006 0.000 0.246 615 V C 2.609 178.739 176.094 0.060 0.000 1.049 615 V CA 1.684 64.009 62.300 0.042 0.000 1.024 615 V CB -0.439 31.419 31.823 0.058 0.000 0.648 615 V HN 0.136 nan 8.190 nan 0.000 0.447 616 R N 0.233 120.767 120.500 0.057 0.000 2.080 616 R HA -0.225 4.118 4.340 0.006 0.000 0.236 616 R C 2.478 178.807 176.300 0.050 0.000 1.137 616 R CA 2.178 58.316 56.100 0.064 0.000 0.943 616 R CB -0.306 30.025 30.300 0.051 0.000 0.846 616 R HN 0.446 nan 8.270 nan 0.000 0.431 617 K N 0.706 121.125 120.400 0.030 0.000 2.147 617 K HA -0.146 4.177 4.320 0.006 0.000 0.205 617 K C 2.015 178.621 176.600 0.009 0.000 1.049 617 K CA 1.799 58.097 56.287 0.018 0.000 0.936 617 K CB -0.058 32.448 32.500 0.009 0.000 0.722 617 K HN 0.352 nan 8.250 nan 0.000 0.446 618 M N -2.414 117.190 119.600 0.006 0.000 2.618 618 M HA 0.224 4.707 4.480 0.006 0.000 0.240 618 M C 0.805 177.099 176.300 -0.009 0.000 1.123 618 M CA 1.143 56.435 55.300 -0.014 0.000 1.060 618 M CB 0.445 33.024 32.600 -0.035 0.000 1.535 618 M HN 0.158 nan 8.290 nan 0.000 0.507 619 G N 0.839 109.655 108.800 0.027 0.000 2.143 619 G HA2 -0.165 3.798 3.960 0.006 0.000 0.249 619 G HA3 -0.165 3.798 3.960 0.006 0.000 0.249 619 G C 0.092 175.073 174.900 0.135 0.000 0.981 619 G CA 0.106 45.234 45.100 0.046 0.000 0.665 619 G HN 0.970 nan 8.290 nan 0.000 0.528 620 A N -0.288 122.633 122.820 0.168 0.000 2.256 620 A HA 0.910 5.233 4.320 0.006 0.000 0.318 620 A C 0.305 178.083 177.584 0.324 0.000 1.103 620 A CA 0.391 52.602 52.037 0.290 0.000 0.860 620 A CB 0.847 19.950 19.000 0.170 0.000 1.182 620 A HN 1.353 nan 8.150 nan 0.000 0.501 621 E N -0.178 120.248 120.200 0.377 0.000 2.433 621 E HA 0.606 4.960 4.350 0.006 0.000 0.278 621 E C -1.892 174.857 176.600 0.248 0.000 0.976 621 E CA -0.832 55.709 56.400 0.234 0.000 0.793 621 E CB 1.177 30.952 29.700 0.126 0.000 1.311 621 E HN 0.449 nan 8.360 nan 0.000 0.460 622 L N 1.682 123.007 121.223 0.170 0.000 2.296 622 L HA 0.590 4.933 4.340 0.006 0.000 0.286 622 L C -0.079 176.879 176.870 0.146 0.000 1.023 622 L CA -0.790 54.169 54.840 0.200 0.000 0.812 622 L CB 1.247 43.394 42.059 0.147 0.000 1.223 622 L HN 0.422 nan 8.230 nan 0.000 0.421 623 R N 3.308 123.939 120.500 0.219 0.000 2.534 623 R HA 0.468 4.812 4.340 0.006 0.000 0.301 623 R C -2.614 173.785 176.300 0.165 0.000 0.961 623 R CA -2.058 54.094 56.100 0.087 0.000 0.871 623 R CB 1.739 31.968 30.300 -0.119 0.000 1.170 623 R HN 0.267 nan 8.270 nan 0.000 0.446 624 P HA -0.060 nan 4.420 nan 0.000 0.265 624 P C -0.858 176.505 177.300 0.105 0.000 1.193 624 P CA 0.376 63.536 63.100 0.099 0.000 0.765 624 P CB 0.496 32.219 31.700 0.039 0.000 0.823 625 H N 2.246 121.318 119.070 0.004 0.000 2.670 625 H HA 0.118 4.677 4.556 0.005 0.000 0.361 625 H C 1.136 176.440 175.328 -0.039 0.000 1.169 625 H CA -0.496 55.501 56.048 -0.084 0.000 1.198 625 H CB 1.764 31.323 29.762 -0.339 0.000 1.700 625 H HN 0.532 nan 8.280 nan 0.000 0.542 626 E N 0.994 120.975 120.200 -0.366 0.000 2.153 626 E HA -0.203 4.150 4.350 0.006 0.000 0.194 626 E C 0.700 177.340 176.600 0.067 0.000 0.988 626 E CA 1.482 57.795 56.400 -0.145 0.000 0.811 626 E CB -0.123 29.445 29.700 -0.220 0.000 0.746 626 E HN 0.619 nan 8.360 nan 0.000 0.466 627 D N 0.597 121.191 120.400 0.323 0.000 2.403 627 D HA -0.057 4.587 4.640 0.006 0.000 0.227 627 D C 1.419 177.826 176.300 0.179 0.000 0.995 627 D CA 1.047 55.210 54.000 0.273 0.000 0.928 627 D CB -0.143 40.846 40.800 0.315 0.000 0.887 627 D HN 0.455 nan 8.370 nan 0.000 0.529 628 G N -0.454 108.439 108.800 0.156 0.000 2.179 628 G HA2 -0.267 3.696 3.960 0.006 0.000 0.260 628 G HA3 -0.267 3.696 3.960 0.006 0.000 0.260 628 G C 0.459 175.436 174.900 0.128 0.000 0.977 628 G CA 0.804 45.971 45.100 0.113 0.000 0.641 628 G HN 0.873 nan 8.290 nan 0.000 0.533 629 T N -1.403 113.261 114.554 0.184 0.000 2.952 629 T HA 0.753 5.106 4.350 0.006 0.000 0.286 629 T C 0.345 175.198 174.700 0.255 0.000 1.024 629 T CA -0.973 61.242 62.100 0.192 0.000 1.029 629 T CB 2.214 71.197 68.868 0.192 0.000 1.094 629 T HN 0.454 nan 8.240 nan 0.000 0.515 630 L N 1.873 123.228 121.223 0.220 0.000 2.349 630 L HA 0.360 4.703 4.340 0.006 0.000 0.275 630 L C 0.656 177.739 176.870 0.355 0.000 1.115 630 L CA -0.603 54.388 54.840 0.251 0.000 0.820 630 L CB 0.388 42.547 42.059 0.167 0.000 1.135 630 L HN 0.672 nan 8.230 nan 0.000 0.445 631 H N 3.338 122.530 119.070 0.203 0.000 2.499 631 H HA 0.348 4.907 4.556 0.005 0.000 0.340 631 H C -0.702 174.791 175.328 0.276 0.000 1.148 631 H CA -0.952 55.198 56.048 0.169 0.000 1.215 631 H CB 2.751 32.600 29.762 0.145 0.000 1.529 631 H HN 0.395 nan 8.280 nan 0.000 0.510 632 L N 3.365 124.738 121.223 0.249 0.000 2.265 632 L HA 0.220 4.564 4.340 0.006 0.000 0.288 632 L C -1.364 175.722 176.870 0.359 0.000 1.058 632 L CA -0.425 54.588 54.840 0.289 0.000 0.809 632 L CB 0.267 42.419 42.059 0.156 0.000 1.179 632 L HN 0.495 nan 8.230 nan 0.000 0.429 633 W N 5.729 127.236 121.300 0.345 0.000 2.627 633 W HA 0.650 5.314 4.660 0.006 0.000 0.339 633 W C -0.404 176.489 176.519 0.623 0.000 1.058 633 W CA -0.546 57.098 57.345 0.498 0.000 1.223 633 W CB 1.493 31.192 29.460 0.398 0.000 1.389 633 W HN 0.312 nan 8.180 nan 0.000 0.541 634 K N 2.640 123.567 120.400 0.879 0.000 2.557 634 K HA 0.384 4.707 4.320 0.006 0.000 0.261 634 K C -2.908 173.785 176.600 0.154 0.000 0.932 634 K CA -1.884 54.659 56.287 0.428 0.000 0.829 634 K CB 2.212 34.814 32.500 0.171 0.000 1.358 634 K HN -0.023 nan 8.250 nan 0.000 0.430 635 P HA 0.115 nan 4.420 nan 0.000 0.267 635 P C -1.548 175.707 177.300 -0.074 0.000 1.205 635 P CA -0.089 62.775 63.100 -0.394 0.000 0.765 635 P CB 1.109 32.451 31.700 -0.597 0.000 0.828 636 A N 3.191 126.015 122.820 0.007 0.000 2.454 636 A HA 0.502 4.825 4.320 0.006 0.000 0.302 636 A C -0.584 176.991 177.584 -0.015 0.000 1.079 636 A CA -0.808 51.261 52.037 0.054 0.000 0.731 636 A CB 1.035 20.139 19.000 0.174 0.000 1.299 636 A HN 0.296 nan 8.150 nan 0.000 0.413 637 V N 2.645 122.546 119.914 -0.021 0.000 2.644 637 V HA -0.065 4.059 4.120 0.006 0.000 0.305 637 V C 0.973 177.006 176.094 -0.102 0.000 1.053 637 V CA 0.653 62.920 62.300 -0.056 0.000 1.186 637 V CB 0.220 32.019 31.823 -0.040 0.000 0.895 637 V HN 0.902 nan 8.190 nan 0.000 0.490 638 M N 6.231 125.727 119.600 -0.173 0.000 2.268 638 M HA 0.304 4.787 4.480 0.006 0.000 0.349 638 M C 0.119 176.144 176.300 -0.459 0.000 1.485 638 M CA 0.622 55.710 55.300 -0.353 0.000 1.094 638 M CB 0.036 32.350 32.600 -0.478 0.000 1.843 638 M HN 0.995 nan 8.290 nan 0.000 0.460 639 S N 2.843 118.338 115.700 -0.341 0.000 2.595 639 S HA 0.312 4.786 4.470 0.006 0.000 0.270 639 S C -0.058 174.526 174.600 -0.026 0.000 1.145 639 S CA -1.076 57.059 58.200 -0.109 0.000 0.825 639 S CB 1.392 64.590 63.200 -0.004 0.000 1.107 639 S HN 0.747 nan 8.310 nan 0.000 0.461 640 K N 1.831 122.290 120.400 0.099 0.000 2.032 640 K HA -0.110 4.213 4.320 0.006 0.000 0.209 640 K C 2.230 178.860 176.600 0.050 0.000 1.048 640 K CA 2.684 59.030 56.287 0.098 0.000 0.927 640 K CB -0.955 31.636 32.500 0.151 0.000 0.712 640 K HN 0.780 nan 8.250 nan 0.000 0.441 641 S N -0.103 115.618 115.700 0.036 0.000 2.419 641 S HA -0.128 4.345 4.470 0.006 0.000 0.235 641 S C 1.550 176.143 174.600 -0.011 0.000 1.019 641 S CA 1.028 59.235 58.200 0.012 0.000 0.982 641 S CB -0.265 62.937 63.200 0.003 0.000 0.789 641 S HN 0.232 nan 8.310 nan 0.000 0.490 642 K N 0.617 121.000 120.400 -0.028 0.000 2.367 642 K HA 0.225 4.548 4.320 0.006 0.000 0.194 642 K C 1.335 177.887 176.600 -0.080 0.000 1.027 642 K CA 0.586 56.834 56.287 -0.066 0.000 1.075 642 K CB -0.270 32.188 32.500 -0.070 0.000 0.845 642 K HN 0.584 nan 8.250 nan 0.000 0.529 643 G N 3.660 112.435 108.800 -0.041 0.000 2.249 643 G HA2 -0.275 3.688 3.960 0.006 0.000 0.273 643 G HA3 -0.275 3.688 3.960 0.006 0.000 0.273 643 G C 0.178 175.058 174.900 -0.034 0.000 1.036 643 G CA 0.840 45.924 45.100 -0.026 0.000 0.824 643 G HN 0.486 nan 8.290 nan 0.000 0.504 644 N N -0.355 118.310 118.700 -0.058 0.000 2.197 644 N HA 0.324 5.067 4.740 0.006 0.000 0.228 644 N C 0.963 176.409 175.510 -0.106 0.000 1.212 644 N CA 0.317 53.336 53.050 -0.052 0.000 0.883 644 N CB -0.018 38.440 38.487 -0.049 0.000 1.107 644 N HN 0.667 nan 8.380 nan 0.000 0.519 645 G N 0.308 109.028 108.800 -0.132 0.000 2.380 645 G HA2 0.348 4.311 3.960 0.006 0.000 0.242 645 G HA3 0.348 4.311 3.960 0.006 0.000 0.242 645 G C -0.492 174.331 174.900 -0.128 0.000 1.298 645 G CA -0.240 44.742 45.100 -0.197 0.000 0.878 645 G HN 0.102 nan 8.290 nan 0.000 0.542 646 V N 4.523 124.292 119.914 -0.241 0.000 2.348 646 V HA 0.210 4.334 4.120 0.006 0.000 0.270 646 V C 0.275 176.275 176.094 -0.156 0.000 1.037 646 V CA -0.545 61.591 62.300 -0.273 0.000 0.872 646 V CB 0.865 32.247 31.823 -0.735 0.000 1.002 646 V HN 0.659 nan 8.190 nan 0.000 0.464 647 M N 4.157 123.751 119.600 -0.011 0.000 2.288 647 M HA 0.302 4.785 4.480 0.006 0.000 0.334 647 M C 0.990 177.339 176.300 0.082 0.000 1.150 647 M CA 0.213 55.544 55.300 0.051 0.000 1.118 647 M CB 1.518 34.159 32.600 0.069 0.000 1.501 647 M HN 0.362 nan 8.290 nan 0.000 0.462 648 V N 2.041 122.012 119.914 0.095 0.000 2.307 648 V HA -0.120 4.003 4.120 0.006 0.000 0.245 648 V C 1.915 178.119 176.094 0.184 0.000 1.045 648 V CA 2.343 64.731 62.300 0.146 0.000 1.024 648 V CB -1.336 30.570 31.823 0.139 0.000 0.651 648 V HN 1.118 nan 8.190 nan 0.000 0.449 649 G N 0.786 109.664 108.800 0.130 0.000 2.480 649 G HA2 -0.202 3.761 3.960 0.006 0.000 0.216 649 G HA3 -0.202 3.761 3.960 0.006 0.000 0.216 649 G C -0.158 174.815 174.900 0.122 0.000 1.200 649 G CA 1.246 46.411 45.100 0.109 0.000 0.782 649 G HN 0.520 nan 8.290 nan 0.000 0.554 650 P HA -0.080 nan 4.420 nan 0.000 0.215 650 P C 1.569 178.966 177.300 0.162 0.000 1.153 650 P CA 0.619 63.792 63.100 0.123 0.000 0.853 650 P CB -0.115 31.658 31.700 0.121 0.000 0.788 651 F N 0.909 120.924 119.950 0.109 0.000 2.113 651 F HA -0.170 4.360 4.527 0.005 0.000 0.297 651 F C 2.029 177.930 175.800 0.169 0.000 1.103 651 F CA 1.391 59.486 58.000 0.160 0.000 1.248 651 F CB -0.757 38.344 39.000 0.168 0.000 0.999 651 F HN -0.238 nan 8.300 nan 0.000 0.475 652 V N -0.997 119.068 119.914 0.253 0.000 2.515 652 V HA -0.205 3.918 4.120 0.006 0.000 0.250 652 V C 2.268 178.411 176.094 0.082 0.000 1.058 652 V CA 2.092 64.481 62.300 0.149 0.000 1.064 652 V CB -1.108 30.826 31.823 0.186 0.000 0.675 652 V HN 0.427 nan 8.190 nan 0.000 0.461 653 K N 0.558 121.013 120.400 0.092 0.000 2.057 653 K HA -0.223 4.101 4.320 0.006 0.000 0.207 653 K C 2.354 179.031 176.600 0.128 0.000 1.049 653 K CA 1.993 58.339 56.287 0.098 0.000 0.931 653 K CB -0.230 32.303 32.500 0.056 0.000 0.714 653 K HN 0.708 nan 8.250 nan 0.000 0.440 654 E N -1.041 119.187 120.200 0.047 0.000 2.170 654 E HA -0.127 4.226 4.350 0.006 0.000 0.191 654 E C 1.186 177.829 176.600 0.071 0.000 0.981 654 E CA 0.701 57.126 56.400 0.041 0.000 0.830 654 E CB 0.416 30.105 29.700 -0.017 0.000 0.775 654 E HN 0.293 nan 8.360 nan 0.000 0.470 655 Q N -0.975 118.750 119.800 -0.124 0.000 2.175 655 Q HA 0.426 4.769 4.340 0.006 0.000 0.177 655 Q C 0.530 176.408 176.000 -0.203 0.000 0.636 655 Q CA 0.640 56.377 55.803 -0.110 0.000 0.657 655 Q CB 0.854 29.276 28.738 -0.527 0.000 1.760 655 Q HN 0.175 nan 8.270 nan 0.000 0.417 656 G N -0.861 107.809 108.800 -0.217 0.000 2.328 656 G HA2 0.420 4.383 3.960 0.006 0.000 0.295 656 G HA3 0.420 4.383 3.960 0.006 0.000 0.295 656 G C -0.214 174.740 174.900 0.090 0.000 1.413 656 G CA -0.044 44.989 45.100 -0.113 0.000 0.817 656 G HN 0.295 nan 8.290 nan 0.000 0.546 657 A N -0.295 122.552 122.820 0.044 0.000 1.855 657 A HA 0.088 4.411 4.320 0.006 0.000 0.215 657 A C 1.864 179.559 177.584 0.186 0.000 1.191 657 A CA 2.527 54.647 52.037 0.137 0.000 0.613 657 A CB -0.516 18.510 19.000 0.044 0.000 0.829 657 A HN 0.558 nan 8.150 nan 0.000 0.442 658 D N 0.030 120.520 120.400 0.150 0.000 2.144 658 D HA -0.112 4.531 4.640 0.006 0.000 0.199 658 D C 1.822 178.189 176.300 0.113 0.000 0.984 658 D CA 1.040 55.153 54.000 0.188 0.000 0.834 658 D CB -0.340 40.582 40.800 0.203 0.000 0.955 658 D HN 0.525 nan 8.370 nan 0.000 0.465 659 I N 1.174 121.769 120.570 0.042 0.000 2.163 659 I HA -0.282 3.892 4.170 0.006 0.000 0.243 659 I C 2.494 178.723 176.117 0.187 0.000 1.085 659 I CA 1.250 62.546 61.300 -0.008 0.000 1.347 659 I CB -0.199 37.641 38.000 -0.268 0.000 1.044 659 I HN -0.068 nan 8.210 nan 0.000 0.408 660 A N 0.718 123.756 122.820 0.364 0.000 1.902 660 A HA -0.194 4.129 4.320 0.006 0.000 0.217 660 A C 2.381 180.115 177.584 0.250 0.000 1.181 660 A CA 1.472 53.721 52.037 0.354 0.000 0.623 660 A CB -0.560 18.669 19.000 0.383 0.000 0.818 660 A HN 0.308 nan 8.150 nan 0.000 0.443 661 R N -0.441 120.187 120.500 0.214 0.000 2.083 661 R HA -0.102 4.242 4.340 0.006 0.000 0.237 661 R C 1.951 178.345 176.300 0.157 0.000 1.137 661 R CA 1.575 57.777 56.100 0.170 0.000 0.951 661 R CB -0.462 29.928 30.300 0.149 0.000 0.851 661 R HN 0.439 nan 8.270 nan 0.000 0.434 662 I N 0.772 121.433 120.570 0.152 0.000 2.226 662 I HA -0.215 3.958 4.170 0.006 0.000 0.245 662 I C 2.123 178.321 176.117 0.136 0.000 1.100 662 I CA 1.581 62.971 61.300 0.149 0.000 1.374 662 I CB -1.468 36.627 38.000 0.159 0.000 1.057 662 I HN 0.201 nan 8.210 nan 0.000 0.413 663 T N 1.834 116.429 114.554 0.068 0.000 2.624 663 T HA -0.201 4.152 4.350 0.006 0.000 0.268 663 T C 2.075 176.781 174.700 0.010 0.000 1.041 663 T CA 1.702 63.764 62.100 -0.063 0.000 1.159 663 T CB -0.375 68.241 68.868 -0.421 0.000 0.863 663 T HN 0.221 nan 8.240 nan 0.000 0.434 664 I N 0.467 121.106 120.570 0.115 0.000 2.113 664 I HA -0.141 4.032 4.170 0.006 0.000 0.238 664 I C 2.286 178.491 176.117 0.146 0.000 1.070 664 I CA 1.393 62.797 61.300 0.172 0.000 1.332 664 I CB -0.353 37.773 38.000 0.209 0.000 1.044 664 I HN 0.179 nan 8.210 nan 0.000 0.402 665 L N -0.896 120.425 121.223 0.163 0.000 2.217 665 L HA -0.158 4.186 4.340 0.006 0.000 0.211 665 L C 2.243 179.238 176.870 0.209 0.000 1.107 665 L CA 0.839 55.794 54.840 0.192 0.000 0.783 665 L CB -0.361 41.815 42.059 0.194 0.000 0.919 665 L HN 0.222 nan 8.230 nan 0.000 0.442 666 F N 0.384 120.339 119.950 0.009 0.000 2.754 666 F HA 0.198 4.728 4.527 0.005 0.000 0.297 666 F C 2.217 178.002 175.800 -0.026 0.000 1.122 666 F CA 0.205 58.181 58.000 -0.040 0.000 1.400 666 F CB -0.102 38.843 39.000 -0.091 0.000 1.117 666 F HN -0.051 nan 8.300 nan 0.000 0.587 667 A N 0.684 123.455 122.820 -0.082 0.000 1.933 667 A HA 0.409 4.732 4.320 0.006 0.000 0.218 667 A C 1.199 178.663 177.584 -0.201 0.000 1.175 667 A CA 1.262 53.209 52.037 -0.149 0.000 0.628 667 A CB -0.803 18.175 19.000 -0.036 0.000 0.814 667 A HN 0.495 nan 8.150 nan 0.000 0.444 668 A N -2.743 119.994 122.820 -0.138 0.000 2.544 668 A HA 0.590 4.913 4.320 0.006 0.000 0.291 668 A C -3.206 174.349 177.584 -0.050 0.000 1.055 668 A CA -1.203 50.770 52.037 -0.106 0.000 0.651 668 A CB -0.128 18.837 19.000 -0.058 0.000 1.296 668 A HN -0.047 nan 8.150 nan 0.000 0.431 669 P HA 0.155 nan 4.420 nan 0.000 0.264 669 P C -1.949 175.386 177.300 0.059 0.000 1.183 669 P CA -0.489 62.615 63.100 0.007 0.000 0.763 669 P CB 0.256 31.958 31.700 0.004 0.000 0.807 670 P HA -0.172 nan 4.420 nan 0.000 0.222 670 P C 1.196 178.661 177.300 0.276 0.000 1.147 670 P CA 1.258 64.452 63.100 0.157 0.000 0.790 670 P CB -0.187 31.540 31.700 0.045 0.000 0.780 671 E N -0.853 119.530 120.200 0.306 0.000 2.347 671 E HA -0.065 4.288 4.350 0.006 0.000 0.196 671 E C 0.144 176.750 176.600 0.009 0.000 1.008 671 E CA 0.644 57.093 56.400 0.082 0.000 0.852 671 E CB -0.707 28.895 29.700 -0.163 0.000 0.783 671 E HN 0.213 nan 8.360 nan 0.000 0.505 672 N N 2.331 121.048 118.700 0.027 0.000 2.495 672 N HA 0.053 4.796 4.740 0.006 0.000 0.280 672 N C -0.011 175.502 175.510 0.004 0.000 1.168 672 N CA -0.400 52.648 53.050 -0.003 0.000 0.978 672 N CB 0.935 39.414 38.487 -0.013 0.000 1.191 672 N HN 0.285 nan 8.380 nan 0.000 0.497 673 E N 0.306 120.498 120.200 -0.014 0.000 2.408 673 E HA 0.239 4.592 4.350 0.006 0.000 0.259 673 E C -0.532 176.061 176.600 -0.012 0.000 1.110 673 E CA -0.123 56.269 56.400 -0.014 0.000 0.929 673 E CB 0.574 30.256 29.700 -0.031 0.000 0.971 673 E HN 0.583 nan 8.360 nan 0.000 0.438 674 M N -0.271 119.328 119.600 -0.002 0.000 2.531 674 M HA 0.538 5.022 4.480 0.006 0.000 0.286 674 M C -1.655 174.651 176.300 0.011 0.000 1.232 674 M CA -1.228 54.076 55.300 0.006 0.000 0.877 674 M CB 2.275 34.895 32.600 0.034 0.000 1.726 674 M HN 0.211 nan 8.290 nan 0.000 0.463 675 V N 1.921 121.841 119.914 0.010 0.000 2.398 675 V HA 0.313 4.436 4.120 0.006 0.000 0.286 675 V C -0.759 175.413 176.094 0.130 0.000 1.026 675 V CA -0.358 61.956 62.300 0.022 0.000 0.868 675 V CB 1.525 33.301 31.823 -0.079 0.000 0.982 675 V HN 0.907 nan 8.190 nan 0.000 0.443 676 W N 6.060 127.366 121.300 0.010 0.000 2.381 676 W HA 0.399 5.062 4.660 0.007 0.000 0.321 676 W C -0.034 176.565 176.519 0.133 0.000 1.407 676 W CA 0.260 57.633 57.345 0.047 0.000 1.274 676 W CB 1.075 30.542 29.460 0.012 0.000 1.310 676 W HN 0.758 nan 8.180 nan 0.000 0.551 677 T N 1.621 116.067 114.554 -0.181 0.000 2.903 677 T HA 0.134 4.488 4.350 0.006 0.000 0.299 677 T C 0.525 175.155 174.700 -0.115 0.000 1.093 677 T CA -0.639 61.471 62.100 0.016 0.000 1.002 677 T CB 2.101 71.039 68.868 0.115 0.000 1.127 677 T HN 0.442 nan 8.240 nan 0.000 0.488 678 E N 0.733 120.959 120.200 0.043 0.000 2.085 678 E HA -0.194 4.159 4.350 0.006 0.000 0.194 678 E C 1.743 178.368 176.600 0.041 0.000 0.994 678 E CA 1.757 58.196 56.400 0.064 0.000 0.801 678 E CB -0.219 29.529 29.700 0.079 0.000 0.743 678 E HN 0.660 nan 8.360 nan 0.000 0.453 679 E N -0.325 119.892 120.200 0.028 0.000 2.077 679 E HA -0.128 4.226 4.350 0.006 0.000 0.193 679 E C 2.085 178.708 176.600 0.038 0.000 0.989 679 E CA 1.201 57.624 56.400 0.038 0.000 0.800 679 E CB -0.737 28.986 29.700 0.038 0.000 0.746 679 E HN 0.467 nan 8.360 nan 0.000 0.452 680 G N 0.941 109.729 108.800 -0.021 0.000 2.418 680 G HA2 -0.206 3.758 3.960 0.006 0.000 0.217 680 G HA3 -0.206 3.758 3.960 0.006 0.000 0.217 680 G C 1.861 176.739 174.900 -0.037 0.000 1.158 680 G CA 0.930 46.004 45.100 -0.045 0.000 0.771 680 G HN 0.188 nan 8.290 nan 0.000 0.545 681 V N 0.511 120.379 119.914 -0.077 0.000 2.343 681 V HA -0.246 3.877 4.120 0.006 0.000 0.247 681 V C 2.891 179.156 176.094 0.284 0.000 1.051 681 V CA 2.170 64.525 62.300 0.092 0.000 1.036 681 V CB -0.588 31.365 31.823 0.216 0.000 0.654 681 V HN 0.421 nan 8.190 nan 0.000 0.451 682 Q N -0.109 119.834 119.800 0.238 0.000 2.124 682 Q HA -0.126 4.218 4.340 0.006 0.000 0.202 682 Q C 2.379 178.527 176.000 0.246 0.000 0.977 682 Q CA 1.544 57.506 55.803 0.265 0.000 0.850 682 Q CB -0.478 28.343 28.738 0.139 0.000 0.901 682 Q HN 0.734 nan 8.270 nan 0.000 0.429 683 G N 0.659 109.563 108.800 0.173 0.000 2.422 683 G HA2 -0.203 3.761 3.960 0.006 0.000 0.218 683 G HA3 -0.203 3.761 3.960 0.006 0.000 0.218 683 G C 1.460 176.456 174.900 0.159 0.000 1.146 683 G CA 0.839 46.027 45.100 0.147 0.000 0.769 683 G HN 0.407 nan 8.290 nan 0.000 0.547 684 A N 0.213 123.132 122.820 0.165 0.000 1.873 684 A HA 0.010 4.334 4.320 0.006 0.000 0.215 684 A C 2.161 179.849 177.584 0.174 0.000 1.186 684 A CA 1.328 53.451 52.037 0.144 0.000 0.616 684 A CB -0.749 18.296 19.000 0.075 0.000 0.823 684 A HN 0.485 nan 8.150 nan 0.000 0.442 685 W N -0.005 121.382 121.300 0.146 0.000 2.318 685 W HA -0.183 4.480 4.660 0.005 0.000 0.313 685 W C 2.711 179.303 176.519 0.121 0.000 1.221 685 W CA 1.767 59.203 57.345 0.152 0.000 1.266 685 W CB -0.162 29.376 29.460 0.131 0.000 1.150 685 W HN 0.249 nan 8.180 nan 0.000 0.496 686 R N -1.137 119.579 120.500 0.360 0.000 2.091 686 R HA -0.202 4.142 4.340 0.006 0.000 0.238 686 R C 2.152 178.584 176.300 0.220 0.000 1.136 686 R CA 1.782 58.025 56.100 0.238 0.000 0.959 686 R CB -1.107 29.290 30.300 0.163 0.000 0.856 686 R HN 0.181 nan 8.270 nan 0.000 0.437 687 F N 1.639 121.603 119.950 0.024 0.000 2.084 687 F HA -0.121 4.409 4.527 0.005 0.000 0.296 687 F C 1.911 177.699 175.800 -0.020 0.000 1.111 687 F CA 1.360 59.340 58.000 -0.032 0.000 1.224 687 F CB -0.574 38.353 39.000 -0.121 0.000 0.991 687 F HN -0.119 nan 8.300 nan 0.000 0.471 688 L N 0.238 121.315 121.223 -0.243 0.000 2.042 688 L HA -0.273 4.071 4.340 0.006 0.000 0.210 688 L C 2.301 178.966 176.870 -0.342 0.000 1.076 688 L CA 1.381 55.910 54.840 -0.518 0.000 0.749 688 L CB -0.986 40.667 42.059 -0.677 0.000 0.893 688 L HN 0.165 nan 8.230 nan 0.000 0.432 689 N N 0.132 118.831 118.700 -0.002 0.000 2.120 689 N HA -0.201 4.542 4.740 0.006 0.000 0.188 689 N C 1.918 177.537 175.510 0.181 0.000 1.024 689 N CA 1.199 54.362 53.050 0.189 0.000 0.852 689 N CB -0.296 38.357 38.487 0.276 0.000 1.003 689 N HN 0.278 nan 8.380 nan 0.000 0.424 690 R N 0.589 121.163 120.500 0.124 0.000 2.092 690 R HA 0.079 4.422 4.340 0.006 0.000 0.231 690 R C 2.123 178.532 176.300 0.181 0.000 1.119 690 R CA 0.678 56.878 56.100 0.167 0.000 0.970 690 R CB -0.116 30.248 30.300 0.107 0.000 0.864 690 R HN 0.172 nan 8.270 nan 0.000 0.440 691 I N -0.397 120.170 120.570 -0.005 0.000 2.142 691 I HA -0.305 3.868 4.170 0.006 0.000 0.240 691 I C 2.093 178.219 176.117 0.015 0.000 1.078 691 I CA 1.314 62.571 61.300 -0.071 0.000 1.343 691 I CB -0.455 37.411 38.000 -0.223 0.000 1.046 691 I HN 0.210 nan 8.210 nan 0.000 0.405 692 Y N 1.750 122.018 120.300 -0.053 0.000 2.128 692 Y HA -0.314 4.240 4.550 0.006 0.000 0.284 692 Y C 2.855 178.848 175.900 0.156 0.000 1.154 692 Y CA 1.875 60.005 58.100 0.051 0.000 1.149 692 Y CB -0.317 38.221 38.460 0.130 0.000 0.976 692 Y HN -0.027 nan 8.280 nan 0.000 0.505 693 R N 0.070 120.804 120.500 0.391 0.000 2.091 693 R HA -0.261 4.082 4.340 0.006 0.000 0.238 693 R C 2.396 178.797 176.300 0.168 0.000 1.136 693 R CA 1.897 58.191 56.100 0.324 0.000 0.959 693 R CB -0.306 30.195 30.300 0.335 0.000 0.856 693 R HN 0.245 nan 8.270 nan 0.000 0.437 694 R N 0.200 120.752 120.500 0.086 0.000 2.073 694 R HA -0.070 4.273 4.340 0.006 0.000 0.234 694 R C 2.064 178.337 176.300 -0.046 0.000 1.134 694 R CA 1.887 57.897 56.100 -0.151 0.000 0.952 694 R CB -0.631 29.461 30.300 -0.346 0.000 0.850 694 R HN 0.161 nan 8.270 nan 0.000 0.433 695 V N 0.689 120.597 119.914 -0.011 0.000 2.379 695 V HA -0.077 4.046 4.120 0.006 0.000 0.245 695 V C 2.347 178.593 176.094 0.254 0.000 1.044 695 V CA 1.668 64.023 62.300 0.092 0.000 1.036 695 V CB -0.847 30.995 31.823 0.032 0.000 0.664 695 V HN 0.515 nan 8.190 nan 0.000 0.453 696 A N 0.202 123.132 122.820 0.183 0.000 1.902 696 A HA -0.261 4.063 4.320 0.006 0.000 0.217 696 A C 2.186 179.848 177.584 0.129 0.000 1.181 696 A CA 2.062 54.219 52.037 0.201 0.000 0.623 696 A CB -0.522 18.559 19.000 0.134 0.000 0.818 696 A HN 0.534 nan 8.150 nan 0.000 0.443 697 E N 0.485 120.747 120.200 0.104 0.000 2.118 697 E HA -0.178 4.175 4.350 0.006 0.000 0.195 697 E C 0.568 177.199 176.600 0.050 0.000 0.992 697 E CA 1.674 58.112 56.400 0.063 0.000 0.804 697 E CB -0.164 29.556 29.700 0.033 0.000 0.741 697 E HN 0.530 nan 8.360 nan 0.000 0.458 698 D N -1.095 119.354 120.400 0.082 0.000 2.363 698 D HA 0.057 4.700 4.640 0.006 0.000 0.214 698 D C 1.369 177.748 176.300 0.131 0.000 1.093 698 D CA -0.043 54.007 54.000 0.084 0.000 0.837 698 D CB -0.018 40.856 40.800 0.123 0.000 0.948 698 D HN 0.159 nan 8.370 nan 0.000 0.507 699 R N 1.187 121.801 120.500 0.190 0.000 2.083 699 R HA -0.159 4.184 4.340 0.006 0.000 0.237 699 R C 1.871 178.289 176.300 0.196 0.000 1.137 699 R CA 1.381 57.669 56.100 0.314 0.000 0.951 699 R CB 0.101 30.479 30.300 0.130 0.000 0.851 699 R HN 0.128 nan 8.270 nan 0.000 0.434 700 E N -0.308 119.931 120.200 0.066 0.000 2.051 700 E HA -0.204 4.149 4.350 0.006 0.000 0.192 700 E C 1.792 178.406 176.600 0.024 0.000 0.991 700 E CA 1.354 57.767 56.400 0.022 0.000 0.799 700 E CB -0.143 29.552 29.700 -0.008 0.000 0.748 700 E HN 0.488 nan 8.360 nan 0.000 0.449 701 A N 0.827 123.658 122.820 0.018 0.000 1.930 701 A HA -0.131 4.193 4.320 0.006 0.000 0.217 701 A C 2.201 179.780 177.584 -0.008 0.000 1.175 701 A CA 1.031 53.067 52.037 -0.002 0.000 0.627 701 A CB -0.630 18.360 19.000 -0.017 0.000 0.815 701 A HN 0.316 nan 8.150 nan 0.000 0.443 702 L N -0.697 120.519 121.223 -0.012 0.000 2.046 702 L HA -0.182 4.161 4.340 0.006 0.000 0.208 702 L C 2.483 179.286 176.870 -0.111 0.000 1.077 702 L CA 1.056 55.812 54.840 -0.140 0.000 0.747 702 L CB -0.445 41.347 42.059 -0.446 0.000 0.896 702 L HN 0.374 nan 8.230 nan 0.000 0.432 703 L N -0.159 121.088 121.223 0.039 0.000 2.191 703 L HA -0.196 4.147 4.340 0.006 0.000 0.212 703 L C 2.199 179.057 176.870 -0.020 0.000 1.103 703 L CA 1.216 56.079 54.840 0.039 0.000 0.769 703 L CB -0.388 41.703 42.059 0.053 0.000 0.908 703 L HN 0.437 nan 8.230 nan 0.000 0.438 704 E N -1.535 118.654 120.200 -0.019 0.000 2.444 704 E HA 0.078 4.432 4.350 0.006 0.000 0.191 704 E C -0.157 176.431 176.600 -0.020 0.000 1.041 704 E CA -0.050 56.337 56.400 -0.020 0.000 0.883 704 E CB 0.086 29.776 29.700 -0.016 0.000 1.024 704 E HN 0.165 nan 8.360 nan 0.000 0.470 705 T N 0.819 115.355 114.554 -0.031 0.000 2.829 705 T HA 0.261 4.614 4.350 0.006 0.000 0.280 705 T C -0.472 174.220 174.700 -0.013 0.000 0.999 705 T CA -0.689 61.401 62.100 -0.017 0.000 0.983 705 T CB 1.836 70.695 68.868 -0.014 0.000 0.968 705 T HN 0.096 nan 8.240 nan 0.000 0.446 706 S N 1.281 116.992 115.700 0.018 0.000 2.601 706 S HA 0.482 4.956 4.470 0.006 0.000 0.271 706 S C 1.458 176.108 174.600 0.084 0.000 1.305 706 S CA -0.279 57.948 58.200 0.045 0.000 1.022 706 S CB 0.641 63.872 63.200 0.052 0.000 0.940 706 S HN 0.892 nan 8.310 nan 0.000 0.525 707 G N 1.861 110.735 108.800 0.124 0.000 3.042 707 G HA2 0.227 4.190 3.960 0.006 0.000 0.212 707 G HA3 0.227 4.190 3.960 0.006 0.000 0.212 707 G C 0.007 175.058 174.900 0.252 0.000 1.166 707 G CA -0.077 45.134 45.100 0.185 0.000 0.767 707 G HN 0.604 nan 8.290 nan 0.000 0.546 708 V N 1.752 121.770 119.914 0.173 0.000 2.530 708 V HA 0.611 4.734 4.120 0.006 0.000 0.282 708 V C -0.166 176.050 176.094 0.204 0.000 1.048 708 V CA -0.241 62.120 62.300 0.102 0.000 0.997 708 V CB 0.066 31.914 31.823 0.041 0.000 0.987 708 V HN 0.346 nan 8.190 nan 0.000 0.477 709 F N 2.544 122.488 119.950 -0.010 0.000 2.779 709 F HA 0.733 5.264 4.527 0.005 0.000 0.316 709 F C -0.976 174.791 175.800 -0.054 0.000 1.164 709 F CA -1.510 56.471 58.000 -0.032 0.000 0.924 709 F CB 1.934 40.909 39.000 -0.042 0.000 1.348 709 F HN 0.262 nan 8.300 nan 0.000 0.467 710 Q N 1.361 121.178 119.800 0.029 0.000 2.368 710 Q HA 0.699 5.042 4.340 0.006 0.000 0.263 710 Q C 0.550 176.569 176.000 0.031 0.000 1.009 710 Q CA 0.061 55.815 55.803 -0.082 0.000 0.818 710 Q CB 1.761 30.476 28.738 -0.038 0.000 1.239 710 Q HN 0.936 nan 8.270 nan 0.000 0.464 711 A N 3.875 126.620 122.820 -0.125 0.000 1.940 711 A HA -0.213 4.110 4.320 0.006 0.000 0.219 711 A C 1.324 178.822 177.584 -0.144 0.000 1.176 711 A CA 1.830 53.730 52.037 -0.229 0.000 0.631 711 A CB -0.251 18.385 19.000 -0.607 0.000 0.814 711 A HN 0.878 nan 8.150 nan 0.000 0.446 712 E N -0.628 119.521 120.200 -0.084 0.000 2.418 712 E HA 0.054 4.408 4.350 0.006 0.000 0.197 712 E C 1.755 178.346 176.600 -0.015 0.000 1.026 712 E CA 0.540 56.916 56.400 -0.039 0.000 0.862 712 E CB -0.138 29.546 29.700 -0.028 0.000 0.799 712 E HN 0.638 nan 8.360 nan 0.000 0.518 713 A N 0.628 123.446 122.820 -0.005 0.000 2.238 713 A HA 0.138 4.461 4.320 0.006 0.000 0.210 713 A C 0.846 178.437 177.584 0.012 0.000 1.179 713 A CA -0.196 51.847 52.037 0.009 0.000 0.827 713 A CB 0.005 19.016 19.000 0.019 0.000 0.856 713 A HN 0.052 nan 8.150 nan 0.000 0.488 714 L N 1.198 122.422 121.223 0.002 0.000 2.461 714 L HA 0.238 4.581 4.340 0.006 0.000 0.272 714 L C 0.570 177.447 176.870 0.012 0.000 1.197 714 L CA -0.046 54.791 54.840 -0.005 0.000 0.836 714 L CB 0.406 42.439 42.059 -0.043 0.000 1.105 714 L HN 0.586 nan 8.230 nan 0.000 0.477 715 E N 1.148 121.359 120.200 0.019 0.000 2.392 715 E HA 0.670 5.023 4.350 0.006 0.000 0.269 715 E C 0.269 176.892 176.600 0.037 0.000 0.924 715 E CA -0.461 55.955 56.400 0.026 0.000 0.784 715 E CB 1.747 31.457 29.700 0.016 0.000 1.292 715 E HN 0.651 nan 8.360 nan 0.000 0.447 716 G N 2.028 110.851 108.800 0.039 0.000 2.596 716 G HA2 -0.379 3.585 3.960 0.006 0.000 0.295 716 G HA3 -0.379 3.585 3.960 0.006 0.000 0.295 716 G C 0.723 175.665 174.900 0.070 0.000 1.240 716 G CA 0.479 45.603 45.100 0.040 0.000 0.985 716 G HN 0.550 nan 8.290 nan 0.000 0.555 717 K N 0.834 121.276 120.400 0.070 0.000 2.209 717 K HA -0.069 4.255 4.320 0.006 0.000 0.204 717 K C 2.111 178.872 176.600 0.267 0.000 1.048 717 K CA 1.783 58.154 56.287 0.140 0.000 0.940 717 K CB -0.440 32.098 32.500 0.064 0.000 0.729 717 K HN 0.517 nan 8.250 nan 0.000 0.451 718 D N 0.451 120.983 120.400 0.221 0.000 2.117 718 D HA -0.146 4.497 4.640 0.006 0.000 0.197 718 D C 1.974 178.345 176.300 0.118 0.000 0.987 718 D CA 0.964 55.082 54.000 0.196 0.000 0.829 718 D CB -0.117 40.733 40.800 0.084 0.000 0.961 718 D HN 0.175 nan 8.370 nan 0.000 0.460 719 R N 0.738 121.302 120.500 0.108 0.000 2.075 719 R HA -0.111 4.232 4.340 0.006 0.000 0.232 719 R C 2.109 178.518 176.300 0.181 0.000 1.126 719 R CA 1.294 57.470 56.100 0.126 0.000 0.963 719 R CB -0.005 30.349 30.300 0.089 0.000 0.858 719 R HN 0.176 nan 8.270 nan 0.000 0.435 720 E N 0.243 120.538 120.200 0.158 0.000 2.077 720 E HA -0.233 4.120 4.350 0.006 0.000 0.193 720 E C 1.935 178.643 176.600 0.180 0.000 0.989 720 E CA 1.267 57.763 56.400 0.159 0.000 0.800 720 E CB -0.073 29.712 29.700 0.142 0.000 0.746 720 E HN 0.296 nan 8.360 nan 0.000 0.452 721 L N 0.286 121.614 121.223 0.175 0.000 2.093 721 L HA -0.158 4.186 4.340 0.006 0.000 0.208 721 L C 2.259 179.236 176.870 0.178 0.000 1.085 721 L CA 1.665 56.583 54.840 0.130 0.000 0.755 721 L CB -0.701 41.280 42.059 -0.130 0.000 0.904 721 L HN 0.249 nan 8.230 nan 0.000 0.435 722 Y N 0.148 120.482 120.300 0.057 0.000 2.165 722 Y HA -0.136 4.417 4.550 0.006 0.000 0.286 722 Y C 2.252 178.271 175.900 0.197 0.000 1.155 722 Y CA 1.805 59.974 58.100 0.115 0.000 1.164 722 Y CB -0.748 37.781 38.460 0.115 0.000 0.978 722 Y HN 0.212 nan 8.280 nan 0.000 0.513 723 G N -0.155 108.759 108.800 0.190 0.000 2.404 723 G HA2 -0.238 3.725 3.960 0.006 0.000 0.215 723 G HA3 -0.238 3.725 3.960 0.006 0.000 0.215 723 G C 1.695 176.632 174.900 0.063 0.000 1.174 723 G CA 0.872 46.039 45.100 0.112 0.000 0.780 723 G HN 0.358 nan 8.290 nan 0.000 0.537 724 K N -0.448 120.019 120.400 0.111 0.000 2.097 724 K HA -0.001 4.322 4.320 0.006 0.000 0.206 724 K C 2.365 178.912 176.600 -0.088 0.000 1.049 724 K CA 0.864 57.231 56.287 0.134 0.000 0.933 724 K CB -0.283 32.409 32.500 0.320 0.000 0.717 724 K HN 0.261 nan 8.250 nan 0.000 0.442 725 L N 1.145 122.250 121.223 -0.196 0.000 1.989 725 L HA -0.218 4.126 4.340 0.006 0.000 0.211 725 L C 2.148 178.652 176.870 -0.610 0.000 1.071 725 L CA 1.943 56.376 54.840 -0.679 0.000 0.749 725 L CB -0.572 41.227 42.059 -0.434 0.000 0.890 725 L HN 0.281 nan 8.230 nan 0.000 0.431 726 H N -0.434 118.444 119.070 -0.321 0.000 2.428 726 H HA -0.064 4.495 4.556 0.006 0.000 0.296 726 H C 2.110 177.348 175.328 -0.151 0.000 1.062 726 H CA 1.513 57.423 56.048 -0.229 0.000 1.350 726 H CB 0.146 29.752 29.762 -0.261 0.000 1.403 726 H HN 0.559 nan 8.280 nan 0.000 0.533 727 E N 0.099 120.272 120.200 -0.044 0.000 2.085 727 E HA -0.130 4.224 4.350 0.006 0.000 0.194 727 E C 2.102 178.659 176.600 -0.071 0.000 0.994 727 E CA 1.660 58.044 56.400 -0.027 0.000 0.801 727 E CB 0.038 29.741 29.700 0.006 0.000 0.743 727 E HN 0.325 nan 8.360 nan 0.000 0.453 728 T N 1.589 116.037 114.554 -0.177 0.000 2.708 728 T HA -0.158 4.195 4.350 0.006 0.000 0.266 728 T C 1.827 176.421 174.700 -0.176 0.000 1.037 728 T CA 0.938 62.913 62.100 -0.208 0.000 1.146 728 T CB -0.285 68.311 68.868 -0.452 0.000 0.865 728 T HN 0.033 nan 8.240 nan 0.000 0.435 729 L N 1.600 122.681 121.223 -0.237 0.000 2.012 729 L HA -0.050 4.293 4.340 0.006 0.000 0.210 729 L C 2.351 179.218 176.870 -0.005 0.000 1.073 729 L CA 1.947 56.687 54.840 -0.166 0.000 0.748 729 L CB -0.649 41.254 42.059 -0.260 0.000 0.891 729 L HN 0.128 nan 8.230 nan 0.000 0.431 730 K N -0.523 119.879 120.400 0.003 0.000 2.032 730 K HA -0.292 4.031 4.320 0.006 0.000 0.209 730 K C 2.298 178.926 176.600 0.046 0.000 1.048 730 K CA 1.973 58.290 56.287 0.051 0.000 0.927 730 K CB -0.182 32.343 32.500 0.043 0.000 0.712 730 K HN 0.202 nan 8.250 nan 0.000 0.441 731 K N 0.562 120.973 120.400 0.018 0.000 2.026 731 K HA -0.084 4.239 4.320 0.006 0.000 0.208 731 K C 1.781 178.395 176.600 0.023 0.000 1.048 731 K CA 1.654 57.951 56.287 0.016 0.000 0.929 731 K CB -0.395 32.108 32.500 0.006 0.000 0.713 731 K HN 0.075 nan 8.250 nan 0.000 0.439 732 V N 0.776 120.711 119.914 0.035 0.000 2.343 732 V HA -0.240 3.883 4.120 0.006 0.000 0.247 732 V C 2.109 178.245 176.094 0.070 0.000 1.051 732 V CA 2.322 64.667 62.300 0.076 0.000 1.036 732 V CB -0.782 31.106 31.823 0.108 0.000 0.654 732 V HN 0.479 nan 8.190 nan 0.000 0.451 733 T N -0.209 114.429 114.554 0.140 0.000 2.674 733 T HA -0.209 4.145 4.350 0.006 0.000 0.265 733 T C 1.806 176.484 174.700 -0.038 0.000 1.039 733 T CA 1.795 63.949 62.100 0.091 0.000 1.150 733 T CB -0.268 68.802 68.868 0.336 0.000 0.864 733 T HN 0.599 nan 8.240 nan 0.000 0.427 734 E N 0.857 121.069 120.200 0.021 0.000 2.110 734 E HA -0.147 4.206 4.350 0.006 0.000 0.193 734 E C 2.059 178.633 176.600 -0.043 0.000 0.988 734 E CA 1.092 57.494 56.400 0.003 0.000 0.804 734 E CB -0.145 29.568 29.700 0.022 0.000 0.745 734 E HN 0.406 nan 8.360 nan 0.000 0.458 735 D N 0.870 121.242 120.400 -0.046 0.000 2.117 735 D HA -0.125 4.519 4.640 0.006 0.000 0.197 735 D C 2.072 178.299 176.300 -0.121 0.000 0.987 735 D CA 0.730 54.692 54.000 -0.063 0.000 0.829 735 D CB -0.237 40.555 40.800 -0.013 0.000 0.961 735 D HN 0.112 nan 8.370 nan 0.000 0.460 736 L N 0.803 121.918 121.223 -0.179 0.000 2.012 736 L HA -0.198 4.146 4.340 0.006 0.000 0.210 736 L C 2.332 179.051 176.870 -0.252 0.000 1.073 736 L CA 1.348 55.996 54.840 -0.320 0.000 0.748 736 L CB -0.327 41.066 42.059 -1.109 0.000 0.891 736 L HN 0.030 nan 8.230 nan 0.000 0.431 737 E N -0.312 119.783 120.200 -0.176 0.000 2.118 737 E HA -0.214 4.139 4.350 0.006 0.000 0.195 737 E C 1.926 178.489 176.600 -0.061 0.000 0.992 737 E CA 1.169 57.565 56.400 -0.005 0.000 0.804 737 E CB -0.150 29.582 29.700 0.053 0.000 0.741 737 E HN 0.515 nan 8.360 nan 0.000 0.458 738 A N 0.175 122.929 122.820 -0.110 0.000 2.275 738 A HA 0.134 4.457 4.320 0.006 0.000 0.212 738 A C 0.775 178.205 177.584 -0.256 0.000 1.201 738 A CA -0.066 51.903 52.037 -0.113 0.000 0.843 738 A CB -0.044 18.914 19.000 -0.069 0.000 0.873 738 A HN 0.236 nan 8.150 nan 0.000 0.492 739 L N -1.510 119.403 121.223 -0.516 0.000 4.001 739 L HA -0.215 4.128 4.340 0.006 0.000 0.413 739 L C 0.613 176.826 176.870 -1.094 0.000 1.185 739 L CA 0.902 54.996 54.840 -1.243 0.000 0.963 739 L CB -1.874 39.392 42.059 -1.321 0.000 1.976 739 L HN 0.468 nan 8.230 nan 0.000 0.939 740 R N -0.339 119.830 120.500 -0.551 0.000 4.164 740 R HA 0.164 4.508 4.340 0.006 0.000 0.195 740 R C 0.893 177.114 176.300 -0.132 0.000 1.712 740 R CA -0.335 55.602 56.100 -0.272 0.000 1.457 740 R CB -0.169 30.059 30.300 -0.120 0.000 1.387 740 R HN 0.137 nan 8.270 nan 0.000 0.785 741 F N 1.072 121.013 119.950 -0.015 0.000 2.234 741 F HA -0.181 4.349 4.527 0.006 0.000 0.299 741 F C 2.312 178.125 175.800 0.023 0.000 1.087 741 F CA 0.812 58.854 58.000 0.071 0.000 1.340 741 F CB -0.408 38.654 39.000 0.104 0.000 1.031 741 F HN 0.377 nan 8.300 nan 0.000 0.500 742 N N 0.187 118.986 118.700 0.165 0.000 2.216 742 N HA -0.149 4.594 4.740 0.006 0.000 0.183 742 N C 1.551 177.112 175.510 0.086 0.000 1.017 742 N CA 2.013 55.127 53.050 0.105 0.000 0.861 742 N CB -1.494 36.973 38.487 -0.032 0.000 0.986 742 N HN 0.355 nan 8.380 nan 0.000 0.428 743 T N -2.112 112.461 114.554 0.031 0.000 2.951 743 T HA 0.280 4.633 4.350 0.006 0.000 0.268 743 T C 2.158 176.856 174.700 -0.003 0.000 1.073 743 T CA 0.882 62.993 62.100 0.018 0.000 1.134 743 T CB -0.427 68.440 68.868 -0.002 0.000 0.884 743 T HN 0.320 nan 8.240 nan 0.000 0.479 744 A N 1.854 124.666 122.820 -0.013 0.000 1.883 744 A HA 0.065 4.389 4.320 0.006 0.000 0.217 744 A C 2.349 179.775 177.584 -0.262 0.000 1.186 744 A CA 1.442 53.434 52.037 -0.076 0.000 0.624 744 A CB -0.881 18.155 19.000 0.059 0.000 0.822 744 A HN 0.571 nan 8.150 nan 0.000 0.444 745 I N -0.350 120.007 120.570 -0.354 0.000 2.252 745 I HA -0.255 3.918 4.170 0.006 0.000 0.245 745 I C 2.969 178.884 176.117 -0.336 0.000 1.102 745 I CA 0.929 61.954 61.300 -0.458 0.000 1.385 745 I CB -0.336 37.425 38.000 -0.397 0.000 1.064 745 I HN 0.359 nan 8.210 nan 0.000 0.414 746 A N 0.854 123.627 122.820 -0.079 0.000 1.908 746 A HA -0.230 4.093 4.320 0.006 0.000 0.218 746 A C 2.542 180.099 177.584 -0.046 0.000 1.181 746 A CA 2.058 54.087 52.037 -0.013 0.000 0.627 746 A CB -0.878 18.202 19.000 0.133 0.000 0.818 746 A HN 0.443 nan 8.150 nan 0.000 0.445 747 A N -0.420 122.382 122.820 -0.031 0.000 1.933 747 A HA -0.021 4.302 4.320 0.006 0.000 0.218 747 A C 2.157 179.780 177.584 0.066 0.000 1.175 747 A CA 1.474 53.521 52.037 0.016 0.000 0.628 747 A CB -0.562 18.438 19.000 0.000 0.000 0.814 747 A HN 0.483 nan 8.150 nan 0.000 0.444 748 L N -1.335 119.889 121.223 0.001 0.000 2.093 748 L HA -0.177 4.167 4.340 0.006 0.000 0.208 748 L C 2.814 179.876 176.870 0.319 0.000 1.085 748 L CA 1.283 56.214 54.840 0.152 0.000 0.755 748 L CB -0.466 41.592 42.059 -0.003 0.000 0.904 748 L HN 0.420 nan 8.230 nan 0.000 0.435 749 M N -0.632 118.959 119.600 -0.015 0.000 2.117 749 M HA -0.207 4.277 4.480 0.006 0.000 0.262 749 M C 2.129 178.479 176.300 0.084 0.000 1.065 749 M CA 1.769 57.032 55.300 -0.061 0.000 1.114 749 M CB -0.344 32.002 32.600 -0.424 0.000 1.361 749 M HN 0.183 nan 8.290 nan 0.000 0.408 750 E N -0.244 120.006 120.200 0.083 0.000 2.077 750 E HA -0.202 4.152 4.350 0.006 0.000 0.193 750 E C 1.785 178.500 176.600 0.192 0.000 0.989 750 E CA 1.218 57.687 56.400 0.116 0.000 0.800 750 E CB -0.219 29.544 29.700 0.106 0.000 0.746 750 E HN 0.388 nan 8.360 nan 0.000 0.452 751 F N 1.242 121.271 119.950 0.131 0.000 2.234 751 F HA -0.103 4.428 4.527 0.005 0.000 0.299 751 F C 1.997 177.892 175.800 0.158 0.000 1.087 751 F CA 0.580 58.673 58.000 0.154 0.000 1.340 751 F CB -0.085 39.030 39.000 0.190 0.000 1.031 751 F HN -0.023 nan 8.300 nan 0.000 0.500 752 L N 1.020 122.331 121.223 0.147 0.000 2.046 752 L HA -0.249 4.095 4.340 0.006 0.000 0.208 752 L C 2.075 178.988 176.870 0.072 0.000 1.077 752 L CA 1.866 56.701 54.840 -0.009 0.000 0.747 752 L CB -1.201 40.972 42.059 0.191 0.000 0.896 752 L HN 0.055 nan 8.230 nan 0.000 0.432 753 N N 0.251 119.001 118.700 0.082 0.000 2.104 753 N HA -0.178 4.566 4.740 0.006 0.000 0.190 753 N C 1.855 177.396 175.510 0.052 0.000 1.024 753 N CA 1.637 54.729 53.050 0.071 0.000 0.853 753 N CB -0.593 37.917 38.487 0.037 0.000 1.008 753 N HN 0.534 nan 8.380 nan 0.000 0.424 754 A N 1.193 123.990 122.820 -0.039 0.000 1.940 754 A HA -0.079 4.244 4.320 0.006 0.000 0.219 754 A C 2.401 179.905 177.584 -0.133 0.000 1.176 754 A CA 0.989 52.975 52.037 -0.085 0.000 0.631 754 A CB -0.735 18.186 19.000 -0.131 0.000 0.814 754 A HN 0.229 nan 8.150 nan 0.000 0.446 755 L N -2.382 118.660 121.223 -0.303 0.000 2.056 755 L HA -0.199 4.145 4.340 0.006 0.000 0.207 755 L C 2.568 179.441 176.870 0.006 0.000 1.078 755 L CA 1.431 56.157 54.840 -0.191 0.000 0.749 755 L CB -0.650 41.190 42.059 -0.366 0.000 0.901 755 L HN 0.465 nan 8.230 nan 0.000 0.433 756 Y N 0.114 120.390 120.300 -0.039 0.000 2.145 756 Y HA -0.239 4.314 4.550 0.005 0.000 0.286 756 Y C 2.808 178.708 175.900 0.001 0.000 1.145 756 Y CA 1.190 59.285 58.100 -0.007 0.000 1.148 756 Y CB -0.060 38.392 38.460 -0.014 0.000 0.981 756 Y HN 0.117 nan 8.280 nan 0.000 0.507 757 E N -0.681 119.614 120.200 0.159 0.000 2.077 757 E HA -0.256 4.097 4.350 0.006 0.000 0.193 757 E C 2.006 178.650 176.600 0.073 0.000 0.989 757 E CA 1.289 57.746 56.400 0.095 0.000 0.800 757 E CB -0.885 28.863 29.700 0.080 0.000 0.746 757 E HN 0.599 nan 8.360 nan 0.000 0.452 758 Y N 1.871 122.149 120.300 -0.037 0.000 2.114 758 Y HA -0.241 4.313 4.550 0.006 0.000 0.282 758 Y C 2.110 177.935 175.900 -0.124 0.000 1.165 758 Y CA 1.851 59.912 58.100 -0.065 0.000 1.148 758 Y CB 0.088 38.518 38.460 -0.050 0.000 0.972 758 Y HN -0.104 nan 8.280 nan 0.000 0.504 759 R N 0.784 121.231 120.500 -0.087 0.000 2.280 759 R HA -0.062 4.281 4.340 0.006 0.000 0.207 759 R C 1.920 178.101 176.300 -0.199 0.000 1.043 759 R CA 0.878 56.829 56.100 -0.247 0.000 1.006 759 R CB -0.291 29.866 30.300 -0.240 0.000 0.885 759 R HN 0.488 nan 8.270 nan 0.000 0.467 760 K N 0.334 120.662 120.400 -0.120 0.000 2.097 760 K HA -0.122 4.201 4.320 0.006 0.000 0.206 760 K C 1.017 177.533 176.600 -0.140 0.000 1.049 760 K CA 1.380 57.611 56.287 -0.093 0.000 0.933 760 K CB 0.122 32.598 32.500 -0.040 0.000 0.717 760 K HN 0.115 nan 8.250 nan 0.000 0.442 761 D N -0.642 119.633 120.400 -0.209 0.000 2.379 761 D HA 0.042 4.685 4.640 0.006 0.000 0.218 761 D C 0.446 176.562 176.300 -0.307 0.000 1.006 761 D CA 0.538 54.405 54.000 -0.221 0.000 0.893 761 D CB 0.544 41.225 40.800 -0.197 0.000 1.019 761 D HN -0.048 nan 8.370 nan 0.000 0.503 762 R N 0.932 121.132 120.500 -0.500 0.000 2.803 762 R HA 0.456 4.799 4.340 0.006 0.000 0.276 762 R C -2.396 173.625 176.300 -0.466 0.000 0.978 762 R CA -1.776 53.981 56.100 -0.572 0.000 0.939 762 R CB 1.704 31.356 30.300 -1.080 0.000 1.179 762 R HN -0.009 nan 8.270 nan 0.000 0.472 763 P HA 0.169 nan 4.420 nan 0.000 0.293 763 P C -0.228 176.934 177.300 -0.230 0.000 1.304 763 P CA -0.525 62.437 63.100 -0.229 0.000 0.767 763 P CB 0.570 32.185 31.700 -0.141 0.000 1.247 764 V N 0.969 120.761 119.914 -0.203 0.000 2.450 764 V HA 0.135 4.258 4.120 0.006 0.000 0.281 764 V C 1.037 177.129 176.094 -0.004 0.000 1.019 764 V CA 0.737 62.959 62.300 -0.131 0.000 1.062 764 V CB -0.666 31.127 31.823 -0.050 0.000 0.979 764 V HN 0.783 nan 8.190 nan 0.000 0.477 765 T N 3.343 117.948 114.554 0.085 0.000 2.926 765 T HA 0.505 4.858 4.350 0.006 0.000 0.289 765 T C -2.041 172.691 174.700 0.053 0.000 1.054 765 T CA -2.171 59.966 62.100 0.061 0.000 1.015 765 T CB 2.134 71.048 68.868 0.077 0.000 1.167 765 T HN 0.259 nan 8.240 nan 0.000 0.526 766 P HA -0.125 nan 4.420 nan 0.000 0.216 766 P C 1.740 178.977 177.300 -0.104 0.000 1.153 766 P CA 0.559 63.676 63.100 0.029 0.000 0.858 766 P CB -0.110 31.659 31.700 0.114 0.000 0.789 767 V N -1.540 118.123 119.914 -0.417 0.000 2.407 767 V HA -0.261 3.863 4.120 0.006 0.000 0.248 767 V C 2.193 178.120 176.094 -0.279 0.000 1.055 767 V CA 1.687 63.565 62.300 -0.703 0.000 1.049 767 V CB -1.142 30.175 31.823 -0.843 0.000 0.662 767 V HN 0.020 nan 8.190 nan 0.000 0.455 768 Y N 1.419 121.546 120.300 -0.288 0.000 2.181 768 Y HA -0.230 4.323 4.550 0.006 0.000 0.288 768 Y C 2.705 178.510 175.900 -0.158 0.000 1.146 768 Y CA 2.446 60.389 58.100 -0.262 0.000 1.164 768 Y CB -0.342 38.031 38.460 -0.144 0.000 0.982 768 Y HN 0.248 nan 8.280 nan 0.000 0.515 769 R N -0.679 119.781 120.500 -0.066 0.000 2.091 769 R HA -0.157 4.186 4.340 0.006 0.000 0.238 769 R C 2.006 178.267 176.300 -0.066 0.000 1.136 769 R CA 2.151 58.190 56.100 -0.102 0.000 0.959 769 R CB -0.557 29.733 30.300 -0.017 0.000 0.856 769 R HN 0.301 nan 8.270 nan 0.000 0.437 770 T N 0.504 115.024 114.554 -0.056 0.000 2.788 770 T HA -0.094 4.260 4.350 0.006 0.000 0.268 770 T C 1.771 176.290 174.700 -0.302 0.000 1.044 770 T CA 1.282 63.303 62.100 -0.132 0.000 1.139 770 T CB -0.263 68.611 68.868 0.010 0.000 0.867 770 T HN 0.484 nan 8.240 nan 0.000 0.454 771 A N 1.607 124.274 122.820 -0.256 0.000 1.902 771 A HA -0.048 4.275 4.320 0.006 0.000 0.217 771 A C 2.213 179.765 177.584 -0.054 0.000 1.181 771 A CA 1.077 53.028 52.037 -0.144 0.000 0.623 771 A CB -0.610 18.343 19.000 -0.078 0.000 0.818 771 A HN 0.393 nan 8.150 nan 0.000 0.443 772 I N -0.448 119.982 120.570 -0.234 0.000 2.226 772 I HA -0.201 3.973 4.170 0.006 0.000 0.245 772 I C 2.524 178.695 176.117 0.091 0.000 1.100 772 I CA 1.703 62.925 61.300 -0.130 0.000 1.374 772 I CB -1.252 36.571 38.000 -0.294 0.000 1.057 772 I HN 0.438 nan 8.210 nan 0.000 0.413 773 R N 0.117 120.641 120.500 0.040 0.000 2.080 773 R HA -0.236 4.107 4.340 0.006 0.000 0.236 773 R C 2.530 178.906 176.300 0.128 0.000 1.137 773 R CA 1.850 57.884 56.100 -0.110 0.000 0.943 773 R CB -0.342 29.753 30.300 -0.343 0.000 0.846 773 R HN 0.161 nan 8.270 nan 0.000 0.431 774 Y N -0.543 119.685 120.300 -0.120 0.000 2.224 774 Y HA -0.249 4.305 4.550 0.006 0.000 0.289 774 Y C 2.095 177.888 175.900 -0.178 0.000 1.146 774 Y CA 0.896 58.869 58.100 -0.213 0.000 1.182 774 Y CB -1.064 37.237 38.460 -0.266 0.000 0.983 774 Y HN 0.219 nan 8.280 nan 0.000 0.524 775 Y N 0.110 120.442 120.300 0.052 0.000 2.128 775 Y HA -0.265 4.288 4.550 0.005 0.000 0.284 775 Y C 2.247 178.166 175.900 0.031 0.000 1.154 775 Y CA 1.672 59.807 58.100 0.058 0.000 1.149 775 Y CB -0.522 38.009 38.460 0.118 0.000 0.976 775 Y HN 0.007 nan 8.280 nan 0.000 0.505 776 L N -0.405 120.941 121.223 0.205 0.000 2.046 776 L HA -0.268 4.075 4.340 0.006 0.000 0.208 776 L C 2.446 179.265 176.870 -0.085 0.000 1.077 776 L CA 1.540 56.463 54.840 0.139 0.000 0.747 776 L CB -0.725 41.536 42.059 0.337 0.000 0.896 776 L HN 0.310 nan 8.230 nan 0.000 0.432 777 Q N -0.328 119.339 119.800 -0.221 0.000 2.030 777 Q HA -0.225 4.118 4.340 0.006 0.000 0.204 777 Q C 2.321 178.131 176.000 -0.318 0.000 0.986 777 Q CA 1.661 57.212 55.803 -0.420 0.000 0.843 777 Q CB -0.192 28.203 28.738 -0.572 0.000 0.904 777 Q HN 0.511 nan 8.270 nan 0.000 0.420 778 M N -0.048 119.310 119.600 -0.403 0.000 2.213 778 M HA -0.148 4.336 4.480 0.006 0.000 0.263 778 M C 2.053 178.407 176.300 0.090 0.000 1.062 778 M CA 0.844 56.013 55.300 -0.219 0.000 1.105 778 M CB -0.160 32.251 32.600 -0.315 0.000 1.385 778 M HN 0.206 nan 8.290 nan 0.000 0.417 779 L N -0.317 120.884 121.223 -0.036 0.000 2.217 779 L HA -0.085 4.258 4.340 0.006 0.000 0.211 779 L C 2.037 179.012 176.870 0.175 0.000 1.107 779 L CA 1.398 56.300 54.840 0.103 0.000 0.783 779 L CB -0.669 41.382 42.059 -0.012 0.000 0.919 779 L HN 0.120 nan 8.230 nan 0.000 0.442 780 F N 1.577 121.458 119.950 -0.114 0.000 2.126 780 F HA -0.114 4.417 4.527 0.006 0.000 0.299 780 F C -0.627 174.967 175.800 -0.344 0.000 1.096 780 F CA 1.386 59.234 58.000 -0.254 0.000 1.255 780 F CB -1.603 37.162 39.000 -0.392 0.000 0.997 780 F HN 0.182 nan 8.300 nan 0.000 0.479 781 P HA -0.132 nan 4.420 nan 0.000 0.220 781 P C 1.207 178.025 177.300 -0.803 0.000 1.148 781 P CA 1.640 64.278 63.100 -0.769 0.000 0.803 781 P CB -0.194 30.968 31.700 -0.898 0.000 0.782 782 F N -0.555 119.247 119.950 -0.246 0.000 2.243 782 F HA 0.287 4.818 4.527 0.005 0.000 0.287 782 F C 1.507 177.237 175.800 -0.116 0.000 1.067 782 F CA 0.422 58.317 58.000 -0.176 0.000 1.304 782 F CB -0.897 38.055 39.000 -0.079 0.000 1.087 782 F HN -0.271 nan 8.300 nan 0.000 0.513 783 A N 1.004 123.892 122.820 0.113 0.000 3.105 783 A HA 0.405 4.728 4.320 0.006 0.000 0.336 783 A C -1.908 175.708 177.584 0.053 0.000 1.042 783 A CA -1.092 51.006 52.037 0.102 0.000 0.851 783 A CB -0.382 18.674 19.000 0.094 0.000 1.068 783 A HN 0.003 nan 8.150 nan 0.000 0.477 784 P HA -0.172 nan 4.420 nan 0.000 0.221 784 P C 0.780 178.212 177.300 0.220 0.000 1.150 784 P CA 1.467 64.397 63.100 -0.282 0.000 0.800 784 P CB 0.114 31.195 31.700 -1.032 0.000 0.787 785 H N -0.392 118.920 119.070 0.403 0.000 2.307 785 H HA -0.039 4.521 4.556 0.006 0.000 0.303 785 H C 2.052 177.555 175.328 0.292 0.000 1.073 785 H CA 0.910 57.227 56.048 0.448 0.000 1.338 785 H CB -1.135 28.886 29.762 0.431 0.000 1.389 785 H HN -0.012 nan 8.280 nan 0.000 0.503 786 L N 0.963 122.413 121.223 0.378 0.000 2.042 786 L HA -0.120 4.223 4.340 0.006 0.000 0.210 786 L C 2.348 179.299 176.870 0.134 0.000 1.076 786 L CA 1.806 56.793 54.840 0.244 0.000 0.749 786 L CB -1.043 41.069 42.059 0.088 0.000 0.893 786 L HN 0.296 nan 8.230 nan 0.000 0.432 787 A N -0.847 122.059 122.820 0.142 0.000 1.883 787 A HA -0.277 4.046 4.320 0.006 0.000 0.217 787 A C 2.283 179.920 177.584 0.089 0.000 1.186 787 A CA 1.882 53.999 52.037 0.133 0.000 0.624 787 A CB -0.768 18.351 19.000 0.198 0.000 0.822 787 A HN 0.531 nan 8.150 nan 0.000 0.444 788 E N -0.297 119.914 120.200 0.018 0.000 2.077 788 E HA -0.191 4.163 4.350 0.006 0.000 0.193 788 E C 1.932 178.344 176.600 -0.313 0.000 0.989 788 E CA 1.560 57.775 56.400 -0.308 0.000 0.800 788 E CB -0.198 29.091 29.700 -0.684 0.000 0.746 788 E HN 0.595 nan 8.360 nan 0.000 0.452 789 E N 0.166 120.286 120.200 -0.132 0.000 2.049 789 E HA -0.180 4.174 4.350 0.006 0.000 0.198 789 E C 1.939 178.494 176.600 -0.074 0.000 1.007 789 E CA 1.743 58.305 56.400 0.269 0.000 0.809 789 E CB -0.373 29.572 29.700 0.408 0.000 0.749 789 E HN 0.378 nan 8.360 nan 0.000 0.450 790 L N -0.353 120.691 121.223 -0.298 0.000 2.156 790 L HA -0.083 4.260 4.340 0.006 0.000 0.208 790 L C 2.500 179.310 176.870 -0.099 0.000 1.095 790 L CA 0.912 55.326 54.840 -0.710 0.000 0.770 790 L CB -0.666 41.098 42.059 -0.492 0.000 0.914 790 L HN 0.386 nan 8.230 nan 0.000 0.439 791 W N 1.392 122.696 121.300 0.006 0.000 2.335 791 W HA -0.262 4.401 4.660 0.006 0.000 0.311 791 W C 2.238 178.886 176.519 0.216 0.000 1.213 791 W CA 1.938 59.419 57.345 0.227 0.000 1.274 791 W CB -0.322 29.144 29.460 0.010 0.000 1.148 791 W HN 0.285 nan 8.180 nan 0.000 0.498 792 H N -1.457 117.756 119.070 0.239 0.000 2.545 792 H HA -0.129 4.430 4.556 0.006 0.000 0.282 792 H C 1.657 177.060 175.328 0.124 0.000 1.020 792 H CA 1.933 58.103 56.048 0.203 0.000 1.243 792 H CB -0.750 29.210 29.762 0.329 0.000 1.377 792 H HN 0.114 nan 8.280 nan 0.000 0.581 793 W N -0.625 120.530 121.300 -0.242 0.000 2.392 793 W HA -0.065 4.598 4.660 0.005 0.000 0.279 793 W C 0.812 176.692 176.519 -1.066 0.000 1.225 793 W CA 0.873 57.771 57.345 -0.746 0.000 1.233 793 W CB -0.599 28.152 29.460 -1.182 0.000 1.122 793 W HN 0.231 nan 8.180 nan 0.000 0.561 794 F N -4.716 115.090 119.950 -0.239 0.000 2.784 794 F HA 0.221 4.751 4.527 0.006 0.000 0.316 794 F C 0.658 175.846 175.800 -1.020 0.000 1.026 794 F CA -0.696 56.825 58.000 -0.799 0.000 1.188 794 F CB -0.346 37.732 39.000 -1.536 0.000 0.999 794 F HN -0.371 nan 8.300 nan 0.000 0.605 795 W N 2.206 123.299 121.300 -0.345 0.000 2.844 795 W HA 0.340 5.003 4.660 0.005 0.000 0.340 795 W C -1.846 174.486 176.519 -0.312 0.000 1.093 795 W CA -1.455 55.602 57.345 -0.479 0.000 1.212 795 W CB 1.125 29.913 29.460 -1.120 0.000 1.422 795 W HN -0.330 nan 8.180 nan 0.000 0.515 796 P HA -0.049 nan 4.420 nan 0.000 0.220 796 P C 0.129 177.549 177.300 0.199 0.000 1.154 796 P CA 1.310 64.490 63.100 0.134 0.000 0.830 796 P CB 0.876 32.670 31.700 0.158 0.000 0.803 797 D N -0.491 120.080 120.400 0.285 0.000 2.437 797 D HA 0.164 4.808 4.640 0.006 0.000 0.259 797 D C 0.141 176.655 176.300 0.356 0.000 1.118 797 D CA -0.464 53.756 54.000 0.367 0.000 1.017 797 D CB 0.631 41.626 40.800 0.324 0.000 1.120 797 D HN -0.138 nan 8.370 nan 0.000 0.541 798 S N -0.320 115.621 115.700 0.403 0.000 2.579 798 S HA 0.049 4.523 4.470 0.006 0.000 0.275 798 S C 1.686 176.029 174.600 -0.428 0.000 1.345 798 S CA -0.487 57.846 58.200 0.221 0.000 1.031 798 S CB 0.211 63.623 63.200 0.354 0.000 0.892 798 S HN 0.379 nan 8.310 nan 0.000 0.529 799 L N 3.501 124.107 121.223 -1.028 0.000 2.129 799 L HA -0.131 4.212 4.340 0.006 0.000 0.212 799 L C 1.865 178.021 176.870 -1.189 0.000 1.087 799 L CA 1.490 55.358 54.840 -1.620 0.000 0.757 799 L CB -0.470 40.191 42.059 -2.331 0.000 0.896 799 L HN 0.759 nan 8.230 nan 0.000 0.434 800 F N -0.012 119.378 119.950 -0.933 0.000 2.333 800 F HA -0.213 4.318 4.527 0.005 0.000 0.300 800 F C 2.222 177.760 175.800 -0.436 0.000 1.083 800 F CA 1.168 58.767 58.000 -0.667 0.000 1.395 800 F CB -0.023 38.331 39.000 -1.077 0.000 1.056 800 F HN 0.163 nan 8.300 nan 0.000 0.529 801 E N -0.827 119.253 120.200 -0.200 0.000 2.472 801 E HA 0.113 4.467 4.350 0.006 0.000 0.196 801 E C 1.887 178.439 176.600 -0.081 0.000 1.033 801 E CA 0.392 56.766 56.400 -0.043 0.000 0.886 801 E CB 0.156 29.908 29.700 0.086 0.000 0.944 801 E HN 0.305 nan 8.360 nan 0.000 0.492 802 A N 1.324 123.999 122.820 -0.242 0.000 2.169 802 A HA 0.360 4.683 4.320 0.006 0.000 0.212 802 A C 1.229 178.702 177.584 -0.185 0.000 1.153 802 A CA 0.785 52.686 52.037 -0.225 0.000 0.756 802 A CB -0.248 18.408 19.000 -0.573 0.000 0.813 802 A HN 0.266 nan 8.150 nan 0.000 0.471 803 G N -2.042 106.661 108.800 -0.162 0.000 2.796 803 G HA2 -0.207 3.757 3.960 0.006 0.000 0.571 803 G HA3 -0.207 3.757 3.960 0.006 0.000 0.571 803 G C -0.328 174.536 174.900 -0.060 0.000 1.370 803 G CA -0.179 44.871 45.100 -0.084 0.000 0.856 803 G HN 0.821 nan 8.290 nan 0.000 0.538 804 W N 1.280 122.455 121.300 -0.207 0.000 2.433 804 W HA 0.550 5.213 4.660 0.005 0.000 0.315 804 W C -1.933 174.436 176.519 -0.250 0.000 1.087 804 W CA -1.678 55.544 57.345 -0.204 0.000 1.205 804 W CB 1.554 30.938 29.460 -0.127 0.000 1.288 804 W HN 0.537 nan 8.180 nan 0.000 0.504 805 P HA -0.035 nan 4.420 nan 0.000 0.266 805 P C -0.861 176.154 177.300 -0.474 0.000 1.195 805 P CA 0.512 63.055 63.100 -0.929 0.000 0.768 805 P CB 0.587 31.267 31.700 -1.700 0.000 0.838 806 E N 1.866 121.916 120.200 -0.250 0.000 2.229 806 E HA 0.216 4.570 4.350 0.006 0.000 0.283 806 E C -0.704 175.946 176.600 0.082 0.000 1.030 806 E CA -0.826 55.559 56.400 -0.025 0.000 0.836 806 E CB 0.394 30.108 29.700 0.023 0.000 1.068 806 E HN 0.247 nan 8.360 nan 0.000 0.401 807 L N 4.741 126.030 121.223 0.110 0.000 2.367 807 L HA 0.153 4.496 4.340 0.006 0.000 0.275 807 L C -0.470 176.464 176.870 0.107 0.000 1.129 807 L CA 0.308 55.266 54.840 0.196 0.000 0.839 807 L CB 1.044 43.186 42.059 0.139 0.000 1.133 807 L HN 0.466 nan 8.230 nan 0.000 0.453 808 D N 3.839 124.207 120.400 -0.053 0.000 2.428 808 D HA 0.104 4.747 4.640 0.006 0.000 0.221 808 D C 0.704 176.913 176.300 -0.153 0.000 1.123 808 D CA -0.093 53.750 54.000 -0.261 0.000 0.869 808 D CB 0.806 41.217 40.800 -0.647 0.000 1.032 808 D HN 0.609 nan 8.370 nan 0.000 0.506 809 E N 2.476 122.652 120.200 -0.040 0.000 2.153 809 E HA -0.142 4.211 4.350 0.006 0.000 0.194 809 E C 1.332 177.930 176.600 -0.003 0.000 0.988 809 E CA 0.680 57.078 56.400 -0.005 0.000 0.811 809 E CB 0.322 30.030 29.700 0.013 0.000 0.746 809 E HN 0.438 nan 8.360 nan 0.000 0.466 810 K N 0.693 121.090 120.400 -0.006 0.000 2.147 810 K HA -0.044 4.279 4.320 0.006 0.000 0.205 810 K C 1.994 178.617 176.600 0.038 0.000 1.049 810 K CA 0.873 57.171 56.287 0.019 0.000 0.936 810 K CB -0.278 32.238 32.500 0.026 0.000 0.722 810 K HN 0.062 nan 8.250 nan 0.000 0.446 811 A N 1.040 123.869 122.820 0.015 0.000 2.121 811 A HA -0.053 4.271 4.320 0.006 0.000 0.218 811 A C 2.056 179.669 177.584 0.049 0.000 1.154 811 A CA 0.872 52.940 52.037 0.052 0.000 0.679 811 A CB -0.454 18.458 19.000 -0.146 0.000 0.795 811 A HN 0.191 nan 8.150 nan 0.000 0.458 812 L N -0.684 120.558 121.223 0.031 0.000 2.446 812 L HA 0.062 4.405 4.340 0.006 0.000 0.219 812 L C 0.953 177.849 176.870 0.044 0.000 1.116 812 L CA -0.048 54.816 54.840 0.041 0.000 0.844 812 L CB -0.305 41.775 42.059 0.035 0.000 0.970 812 L HN 0.384 nan 8.230 nan 0.000 0.457 813 E N 0.000 120.226 120.200 0.043 0.000 2.725 813 E HA 0.000 4.353 4.350 0.006 0.000 0.291 813 E CA 0.000 56.425 56.400 0.041 0.000 0.976 813 E CB 0.000 29.722 29.700 0.037 0.000 0.812 813 E HN 0.000 nan 8.360 nan 0.000 0.440