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 1v0f_1_E DATA FIRST_RESID 245 DATA SEQUENCE SAKGDGVTDD TAALTSALND TPVGQKINGN GKTYKVTSLP DISRFINTRF DATA SEQUENCE VYERIPGQPL YYASEEFVQG ELFKITDTPY YNAWPQDKAF VYENVIYAPY DATA SEQUENCE MGSDRHGVSR LHVSWVKSGD DGQTWSTPEW LTDLHPDYPT VNYHCMSMGV DATA SEQUENCE CRNRLFAMIE TRTLAKNALT NCALWDRPMS RSLHLTGGIT KAANQRYATI DATA SEQUENCE HVPDHGLFVG DFVNFSNSAV TGVSGDMTVA TVIDKDNFTV LTPNQQTSDL DATA SEQUENCE NNAGKNWHMG TSFHKSPWRK TDLGLIPSVT EVHSFATIDN NGFAMGYHQG DATA SEQUENCE DVAPREVGLF YFPDAFNSPS NYVRRQIPSE YEPDASEPCI KYYDGVLYLI DATA SEQUENCE TRGTRGDRLG SSLHRSRDIG QTWESLRFPH NVHHTTLPFA KVGDDLIMFG DATA SEQUENCE SERAENEWEA GAPDDRYKAS YPRTFYARLN VNNWNADDIE WVNITDQIYQ DATA SEQUENCE GGIVNSGVGV GSVVVKDNYI YYMFGGEDHF NPWTYGDNSA KDPFKSDGHP DATA SEQUENCE SDLYCYKMKI GPDNRVSRDF RYGAVPNRAV PVFFDTNGVR TVPAPMEFTG DATA SEQUENCE DLGLGHVTIR ASTSSNIRSE VLMEGEYGFI GKSIPTDNPA GQRIIFCGGE DATA SEQUENCE GTSSTTGAQI TLYGANNTDS RRIVYNGDEH LFQSADVKPY NDNVTALGGP DATA SEQUENCE SNRFTTAYLG SNPIVT 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 245 S HA 0.000 nan 4.470 nan 0.000 0.327 245 S C 0.000 174.656 174.600 0.093 0.000 1.055 245 S CA 0.000 58.240 58.200 0.067 0.000 1.107 245 S CB 0.000 63.237 63.200 0.062 0.000 0.593 246 A N 2.992 125.892 122.820 0.134 0.000 2.425 246 A HA 0.549 4.874 4.320 0.007 0.000 0.249 246 A C 1.137 178.834 177.584 0.189 0.000 1.084 246 A CA -0.368 51.790 52.037 0.202 0.000 0.781 246 A CB 0.231 19.423 19.000 0.320 0.000 1.019 246 A HN 0.829 nan 8.150 nan 0.000 0.490 247 K N 1.714 122.199 120.400 0.141 0.000 2.098 247 K HA 0.049 4.373 4.320 0.007 0.000 0.203 247 K C 1.261 177.838 176.600 -0.039 0.000 1.051 247 K CA 0.947 57.266 56.287 0.054 0.000 0.957 247 K CB -0.272 32.242 32.500 0.023 0.000 0.738 247 K HN 1.571 nan 8.250 nan 0.000 0.447 248 G N 4.184 112.881 108.800 -0.171 0.000 2.366 248 G HA2 -0.235 3.730 3.960 0.007 0.000 0.299 248 G HA3 -0.235 3.730 3.960 0.007 0.000 0.299 248 G C 0.161 174.812 174.900 -0.414 0.000 1.020 248 G CA 0.914 45.548 45.100 -0.777 0.000 1.026 248 G HN 0.497 nan 8.290 nan 0.000 0.512 249 D N -1.345 118.924 120.400 -0.217 0.000 2.369 249 D HA 0.337 4.981 4.640 0.007 0.000 0.211 249 D C 1.806 178.048 176.300 -0.096 0.000 1.077 249 D CA 0.629 54.554 54.000 -0.126 0.000 0.842 249 D CB -0.422 40.341 40.800 -0.063 0.000 0.947 249 D HN 1.479 nan 8.370 nan 0.000 0.509 250 G N 0.120 108.851 108.800 -0.114 0.000 2.179 250 G HA2 -0.319 3.645 3.960 0.007 0.000 0.260 250 G HA3 -0.319 3.645 3.960 0.007 0.000 0.260 250 G C 0.975 175.869 174.900 -0.010 0.000 0.977 250 G CA 1.127 46.202 45.100 -0.042 0.000 0.641 250 G HN 0.906 nan 8.290 nan 0.000 0.533 251 V N -4.048 115.857 119.914 -0.014 0.000 3.251 251 V HA 0.408 4.533 4.120 0.007 0.000 0.239 251 V C 1.188 177.285 176.094 0.005 0.000 1.332 251 V CA 1.127 63.426 62.300 -0.002 0.000 1.224 251 V CB -0.065 31.759 31.823 0.001 0.000 1.004 251 V HN 0.259 nan 8.190 nan 0.000 0.464 252 T N 3.275 117.832 114.554 0.004 0.000 2.870 252 T HA 0.232 4.587 4.350 0.007 0.000 0.300 252 T C -0.308 174.413 174.700 0.035 0.000 0.989 252 T CA 0.514 62.625 62.100 0.017 0.000 1.139 252 T CB 0.718 69.596 68.868 0.015 0.000 0.920 252 T HN 0.573 nan 8.240 nan 0.000 0.537 253 D N 2.166 122.587 120.400 0.035 0.000 2.382 253 D HA 0.024 4.668 4.640 0.007 0.000 0.259 253 D C 0.263 176.601 176.300 0.062 0.000 1.224 253 D CA -0.186 53.841 54.000 0.046 0.000 0.894 253 D CB 0.541 41.360 40.800 0.032 0.000 1.127 253 D HN 0.353 nan 8.370 nan 0.000 0.487 254 D N 2.606 123.061 120.400 0.091 0.000 2.398 254 D HA 0.001 4.646 4.640 0.007 0.000 0.210 254 D C 1.398 177.746 176.300 0.080 0.000 1.094 254 D CA 0.149 54.221 54.000 0.120 0.000 0.839 254 D CB 0.518 41.459 40.800 0.236 0.000 0.963 254 D HN 0.428 nan 8.370 nan 0.000 0.506 255 T N 1.159 115.738 114.554 0.042 0.000 2.564 255 T HA -0.283 4.072 4.350 0.007 0.000 0.264 255 T C 2.063 176.766 174.700 0.006 0.000 1.100 255 T CA 2.176 64.276 62.100 -0.001 0.000 1.171 255 T CB -0.244 68.616 68.868 -0.013 0.000 0.863 255 T HN 0.252 nan 8.240 nan 0.000 0.430 256 A N 1.464 124.293 122.820 0.015 0.000 1.877 256 A HA 0.157 4.481 4.320 0.007 0.000 0.216 256 A C 2.720 180.319 177.584 0.025 0.000 1.186 256 A CA 2.119 54.164 52.037 0.013 0.000 0.620 256 A CB -1.296 17.712 19.000 0.014 0.000 0.822 256 A HN 0.574 nan 8.150 nan 0.000 0.443 257 A N -0.667 122.178 122.820 0.042 0.000 1.917 257 A HA -0.092 4.232 4.320 0.007 0.000 0.219 257 A C 2.018 179.638 177.584 0.060 0.000 1.182 257 A CA 1.895 53.964 52.037 0.055 0.000 0.633 257 A CB -0.566 18.480 19.000 0.078 0.000 0.819 257 A HN 0.403 nan 8.150 nan 0.000 0.448 258 L N -0.509 120.756 121.223 0.069 0.000 2.093 258 L HA -0.092 4.253 4.340 0.007 0.000 0.208 258 L C 2.706 179.620 176.870 0.073 0.000 1.085 258 L CA 2.286 57.186 54.840 0.100 0.000 0.755 258 L CB -1.478 40.640 42.059 0.099 0.000 0.904 258 L HN 0.363 nan 8.230 nan 0.000 0.435 259 T N -1.071 113.500 114.554 0.028 0.000 2.708 259 T HA -0.186 4.168 4.350 0.007 0.000 0.266 259 T C 2.131 176.831 174.700 -0.000 0.000 1.037 259 T CA 1.713 63.815 62.100 0.003 0.000 1.146 259 T CB -0.215 68.644 68.868 -0.015 0.000 0.865 259 T HN 0.549 nan 8.240 nan 0.000 0.435 260 S N 1.762 117.465 115.700 0.006 0.000 2.368 260 S HA -0.060 4.414 4.470 0.007 0.000 0.225 260 S C 2.421 177.019 174.600 -0.003 0.000 1.030 260 S CA 1.336 59.537 58.200 0.001 0.000 0.999 260 S CB -0.650 62.554 63.200 0.007 0.000 0.844 260 S HN 0.477 nan 8.310 nan 0.000 0.459 261 A N 2.140 124.964 122.820 0.007 0.000 1.873 261 A HA -0.019 4.305 4.320 0.007 0.000 0.218 261 A C 2.397 179.954 177.584 -0.045 0.000 1.193 261 A CA 1.878 53.911 52.037 -0.007 0.000 0.629 261 A CB -1.184 17.827 19.000 0.018 0.000 0.826 261 A HN 0.590 nan 8.150 nan 0.000 0.447 262 L N -0.439 120.753 121.223 -0.052 0.000 2.042 262 L HA -0.251 4.093 4.340 0.007 0.000 0.210 262 L C 2.289 179.116 176.870 -0.072 0.000 1.076 262 L CA 1.892 56.674 54.840 -0.096 0.000 0.749 262 L CB -0.644 41.364 42.059 -0.086 0.000 0.893 262 L HN 0.516 nan 8.230 nan 0.000 0.432 263 N N -0.712 117.960 118.700 -0.046 0.000 2.309 263 N HA -0.163 4.582 4.740 0.007 0.000 0.182 263 N C 1.032 176.520 175.510 -0.037 0.000 1.018 263 N CA 0.823 53.850 53.050 -0.039 0.000 0.876 263 N CB 0.021 38.491 38.487 -0.028 0.000 0.972 263 N HN 0.301 nan 8.380 nan 0.000 0.434 264 D N -0.001 120.378 120.400 -0.035 0.000 2.323 264 D HA -0.009 4.635 4.640 0.007 0.000 0.209 264 D C 0.573 176.850 176.300 -0.037 0.000 0.973 264 D CA 0.762 54.744 54.000 -0.030 0.000 0.874 264 D CB 0.154 40.942 40.800 -0.021 0.000 0.930 264 D HN 0.299 nan 8.370 nan 0.000 0.521 265 T N -0.993 113.530 114.554 -0.053 0.000 2.940 265 T HA 0.610 4.964 4.350 0.007 0.000 0.288 265 T C -2.741 171.921 174.700 -0.064 0.000 1.033 265 T CA -1.971 60.093 62.100 -0.060 0.000 1.033 265 T CB 1.948 70.768 68.868 -0.079 0.000 1.079 265 T HN -0.282 nan 8.240 nan 0.000 0.496 266 P HA 0.174 nan 4.420 nan 0.000 0.271 266 P C 1.500 178.761 177.300 -0.066 0.000 1.216 266 P CA -0.694 62.375 63.100 -0.052 0.000 0.776 266 P CB 0.555 32.230 31.700 -0.041 0.000 0.881 267 V N 0.862 120.740 119.914 -0.061 0.000 2.688 267 V HA -0.126 3.999 4.120 0.007 0.000 0.256 267 V C 1.713 177.767 176.094 -0.067 0.000 1.084 267 V CA 2.258 64.517 62.300 -0.069 0.000 1.103 267 V CB -1.703 30.087 31.823 -0.055 0.000 0.688 267 V HN 0.635 nan 8.190 nan 0.000 0.480 268 G N -0.400 108.367 108.800 -0.054 0.000 2.683 268 G HA2 0.000 3.965 3.960 0.007 0.000 0.213 268 G HA3 0.000 3.965 3.960 0.007 0.000 0.213 268 G C 0.794 175.664 174.900 -0.049 0.000 1.142 268 G CA 0.372 45.445 45.100 -0.045 0.000 0.793 268 G HN 0.646 nan 8.290 nan 0.000 0.534 269 Q N 1.467 121.230 119.800 -0.062 0.000 2.286 269 Q HA 0.230 4.574 4.340 0.007 0.000 0.267 269 Q C -0.271 175.676 176.000 -0.088 0.000 1.028 269 Q CA -0.203 55.562 55.803 -0.064 0.000 0.901 269 Q CB 0.570 29.269 28.738 -0.065 0.000 1.183 269 Q HN -0.162 nan 8.270 nan 0.000 0.392 270 K N 5.198 125.562 120.400 -0.060 0.000 2.336 270 K HA 0.177 4.501 4.320 0.007 0.000 0.290 270 K C -0.456 176.103 176.600 -0.068 0.000 1.067 270 K CA 0.068 56.321 56.287 -0.055 0.000 0.962 270 K CB -0.094 32.401 32.500 -0.008 0.000 1.008 270 K HN 0.694 nan 8.250 nan 0.000 0.467 271 I N 2.947 123.426 120.570 -0.153 0.000 2.452 271 I HA -0.039 4.136 4.170 0.007 0.000 0.287 271 I C 0.873 177.014 176.117 0.040 0.000 1.079 271 I CA -0.304 60.920 61.300 -0.126 0.000 1.387 271 I CB 0.227 38.024 38.000 -0.337 0.000 1.404 271 I HN 0.313 nan 8.210 nan 0.000 0.522 272 N N 5.320 124.059 118.700 0.064 0.000 2.408 272 N HA 0.171 4.915 4.740 0.007 0.000 0.257 272 N C 0.756 176.351 175.510 0.141 0.000 1.064 272 N CA -0.087 53.028 53.050 0.108 0.000 0.952 272 N CB 1.680 40.215 38.487 0.080 0.000 1.093 272 N HN 0.735 nan 8.380 nan 0.000 0.490 273 G N 2.222 111.125 108.800 0.172 0.000 3.141 273 G HA2 -0.065 3.900 3.960 0.007 0.000 0.218 273 G HA3 -0.065 3.900 3.960 0.007 0.000 0.218 273 G C 0.390 175.450 174.900 0.267 0.000 1.170 273 G CA -0.330 44.884 45.100 0.191 0.000 0.769 273 G HN 0.823 nan 8.290 nan 0.000 0.546 274 N N -0.284 118.530 118.700 0.189 0.000 2.714 274 N HA -0.235 4.509 4.740 0.007 0.000 0.250 274 N C 1.506 177.113 175.510 0.161 0.000 1.117 274 N CA 1.328 54.469 53.050 0.152 0.000 0.719 274 N CB -1.248 37.319 38.487 0.133 0.000 1.081 274 N HN 0.965 nan 8.380 nan 0.000 0.557 275 G N -0.861 108.079 108.800 0.234 0.000 2.162 275 G HA2 -0.355 3.609 3.960 0.007 0.000 0.260 275 G HA3 -0.355 3.609 3.960 0.007 0.000 0.260 275 G C 0.144 175.242 174.900 0.330 0.000 0.976 275 G CA 1.045 46.330 45.100 0.308 0.000 0.655 275 G HN 0.526 nan 8.290 nan 0.000 0.533 276 K N 0.251 120.772 120.400 0.202 0.000 2.090 276 K HA 0.555 4.880 4.320 0.007 0.000 0.250 276 K C -0.053 176.453 176.600 -0.156 0.000 1.004 276 K CA -0.141 56.132 56.287 -0.025 0.000 0.919 276 K CB 0.811 33.187 32.500 -0.208 0.000 1.045 276 K HN 0.081 nan 8.250 nan 0.000 0.471 277 T N 1.863 116.229 114.554 -0.313 0.000 2.771 277 T HA 0.323 4.678 4.350 0.007 0.000 0.281 277 T C -1.039 173.404 174.700 -0.428 0.000 0.982 277 T CA -0.472 61.471 62.100 -0.262 0.000 0.978 277 T CB 0.118 68.952 68.868 -0.056 0.000 0.930 277 T HN 0.269 nan 8.240 nan 0.000 0.447 278 Y N 2.039 122.271 120.300 -0.113 0.000 2.328 278 Y HA 0.389 4.943 4.550 0.007 0.000 0.333 278 Y C 0.607 176.556 175.900 0.082 0.000 0.958 278 Y CA -1.082 57.019 58.100 0.002 0.000 1.167 278 Y CB 1.203 39.678 38.460 0.026 0.000 1.151 278 Y HN 0.314 nan 8.280 nan 0.000 0.470 279 K N 4.237 124.721 120.400 0.140 0.000 2.322 279 K HA 0.458 4.783 4.320 0.007 0.000 0.283 279 K C -0.758 175.914 176.600 0.120 0.000 1.042 279 K CA -0.052 56.296 56.287 0.101 0.000 0.958 279 K CB 0.601 33.124 32.500 0.040 0.000 0.984 279 K HN 0.653 nan 8.250 nan 0.000 0.473 280 V N 0.493 120.470 119.914 0.106 0.000 3.078 280 V HA 0.433 4.558 4.120 0.007 0.000 0.311 280 V C 0.637 176.798 176.094 0.112 0.000 1.138 280 V CA -0.351 61.978 62.300 0.049 0.000 1.007 280 V CB 1.530 33.294 31.823 -0.098 0.000 1.045 280 V HN 0.827 nan 8.190 nan 0.000 0.432 281 T N -1.348 113.244 114.554 0.063 0.000 3.044 281 T HA 0.358 4.712 4.350 0.007 0.000 0.250 281 T C 0.616 175.405 174.700 0.148 0.000 1.081 281 T CA 0.621 62.799 62.100 0.130 0.000 1.040 281 T CB -0.351 68.551 68.868 0.057 0.000 0.962 281 T HN 1.590 nan 8.240 nan 0.000 0.506 282 S N 0.381 116.007 115.700 -0.123 0.000 2.556 282 S HA 0.654 5.128 4.470 0.007 0.000 0.271 282 S C -0.946 173.248 174.600 -0.676 0.000 1.135 282 S CA -1.159 56.773 58.200 -0.446 0.000 0.858 282 S CB 1.160 64.212 63.200 -0.247 0.000 1.114 282 S HN 0.265 nan 8.310 nan 0.000 0.468 283 L N 2.939 123.580 121.223 -0.971 0.000 2.410 283 L HA 0.365 4.709 4.340 0.007 0.000 0.273 283 L C -1.394 175.126 176.870 -0.584 0.000 1.152 283 L CA -1.213 53.112 54.840 -0.857 0.000 0.855 283 L CB 0.081 41.601 42.059 -0.899 0.000 1.129 283 L HN 0.616 nan 8.230 nan 0.000 0.463 284 P HA 0.059 nan 4.420 nan 0.000 0.312 284 P C -0.818 176.337 177.300 -0.241 0.000 1.308 284 P CA -0.565 62.320 63.100 -0.358 0.000 0.743 284 P CB 0.496 32.000 31.700 -0.326 0.000 1.364 285 D N -0.207 120.153 120.400 -0.065 0.000 2.441 285 D HA 0.056 4.700 4.640 0.007 0.000 0.243 285 D C 1.242 177.623 176.300 0.134 0.000 1.257 285 D CA 0.072 54.064 54.000 -0.013 0.000 1.027 285 D CB -0.817 39.966 40.800 -0.028 0.000 1.084 285 D HN 0.146 nan 8.370 nan 0.000 0.514 286 I N 1.624 122.237 120.570 0.071 0.000 2.361 286 I HA -0.300 3.874 4.170 0.007 0.000 0.251 286 I C 2.413 178.701 176.117 0.285 0.000 1.133 286 I CA 1.064 62.508 61.300 0.239 0.000 1.413 286 I CB -0.152 37.925 38.000 0.128 0.000 1.073 286 I HN 0.354 nan 8.210 nan 0.000 0.424 287 S N 0.774 116.551 115.700 0.128 0.000 2.469 287 S HA -0.159 4.315 4.470 0.007 0.000 0.238 287 S C 1.963 176.597 174.600 0.058 0.000 0.998 287 S CA 0.824 59.073 58.200 0.081 0.000 0.957 287 S CB -0.428 62.785 63.200 0.022 0.000 0.764 287 S HN 0.451 nan 8.310 nan 0.000 0.514 288 R N -0.573 119.941 120.500 0.023 0.000 2.310 288 R HA 0.333 4.677 4.340 0.007 0.000 0.202 288 R C -0.708 175.440 176.300 -0.254 0.000 0.933 288 R CA 0.032 56.038 56.100 -0.157 0.000 1.054 288 R CB 0.055 30.174 30.300 -0.300 0.000 0.985 288 R HN 0.405 nan 8.270 nan 0.000 0.489 289 F N 0.934 120.919 119.950 0.058 0.000 2.458 289 F HA 0.428 4.960 4.527 0.007 0.000 0.330 289 F C 0.453 176.290 175.800 0.061 0.000 1.082 289 F CA -1.340 56.700 58.000 0.066 0.000 0.995 289 F CB 1.199 40.280 39.000 0.134 0.000 1.170 289 F HN -0.182 nan 8.300 nan 0.000 0.478 290 I N -0.379 120.330 120.570 0.231 0.000 2.740 290 I HA 0.583 4.757 4.170 0.007 0.000 0.303 290 I C 0.018 176.252 176.117 0.195 0.000 1.044 290 I CA -1.196 60.213 61.300 0.181 0.000 1.064 290 I CB 1.754 39.824 38.000 0.116 0.000 1.249 290 I HN 0.650 nan 8.210 nan 0.000 0.433 291 N N 1.735 120.561 118.700 0.210 0.000 2.725 291 N HA -0.172 4.572 4.740 0.007 0.000 0.251 291 N C -1.207 174.491 175.510 0.313 0.000 1.031 291 N CA 1.264 54.474 53.050 0.268 0.000 0.720 291 N CB -0.916 37.673 38.487 0.170 0.000 0.930 291 N HN 0.971 nan 8.380 nan 0.000 0.543 292 T N 0.646 115.304 114.554 0.173 0.000 2.916 292 T HA 0.465 4.819 4.350 0.007 0.000 0.298 292 T C -0.343 173.939 174.700 -0.695 0.000 1.031 292 T CA -0.709 61.262 62.100 -0.215 0.000 0.993 292 T CB 2.036 70.671 68.868 -0.390 0.000 1.045 292 T HN 0.349 nan 8.240 nan 0.000 0.454 293 R N 1.784 121.732 120.500 -0.921 0.000 2.562 293 R HA 0.697 5.041 4.340 0.007 0.000 0.298 293 R C -1.548 174.299 176.300 -0.756 0.000 0.961 293 R CA -0.645 54.872 56.100 -0.972 0.000 0.881 293 R CB 0.853 30.446 30.300 -1.177 0.000 1.159 293 R HN 0.452 nan 8.270 nan 0.000 0.450 294 F N 3.074 122.987 119.950 -0.063 0.000 2.469 294 F HA 0.389 4.921 4.527 0.008 0.000 0.332 294 F C -0.183 175.645 175.800 0.047 0.000 1.103 294 F CA -0.897 57.104 58.000 0.002 0.000 0.979 294 F CB 1.970 40.930 39.000 -0.067 0.000 1.137 294 F HN 0.073 nan 8.300 nan 0.000 0.463 295 V N 2.668 122.650 119.914 0.114 0.000 2.394 295 V HA 0.464 4.588 4.120 0.007 0.000 0.282 295 V C -1.128 175.019 176.094 0.088 0.000 1.031 295 V CA -1.112 61.087 62.300 -0.169 0.000 0.881 295 V CB 1.087 32.686 31.823 -0.373 0.000 0.982 295 V HN 0.775 nan 8.190 nan 0.000 0.451 296 Y N 2.077 122.357 120.300 -0.034 0.000 2.441 296 Y HA 0.467 5.021 4.550 0.007 0.000 0.334 296 Y C -0.213 175.693 175.900 0.010 0.000 1.061 296 Y CA -0.645 57.446 58.100 -0.016 0.000 1.032 296 Y CB 2.126 40.536 38.460 -0.083 0.000 1.266 296 Y HN 0.724 nan 8.280 nan 0.000 0.441 297 E N 6.632 126.492 120.200 -0.568 0.000 2.079 297 E HA 0.167 4.521 4.350 0.007 0.000 0.252 297 E C 0.672 176.688 176.600 -0.974 0.000 0.992 297 E CA -0.347 55.703 56.400 -0.583 0.000 0.829 297 E CB 0.949 30.470 29.700 -0.298 0.000 1.158 297 E HN 0.705 nan 8.360 nan 0.000 0.435 298 R N 2.582 122.435 120.500 -1.079 0.000 2.080 298 R HA -0.086 4.259 4.340 0.007 0.000 0.236 298 R C 0.591 176.717 176.300 -0.289 0.000 1.137 298 R CA 1.110 56.822 56.100 -0.646 0.000 0.943 298 R CB 0.290 30.494 30.300 -0.161 0.000 0.846 298 R HN 0.337 nan 8.270 nan 0.000 0.431 299 I N 2.703 123.144 120.570 -0.215 0.000 2.321 299 I HA 0.280 4.455 4.170 0.007 0.000 0.291 299 I C -2.247 173.767 176.117 -0.172 0.000 0.998 299 I CA -3.039 58.174 61.300 -0.144 0.000 1.227 299 I CB 1.108 39.052 38.000 -0.093 0.000 1.368 299 I HN -0.022 nan 8.210 nan 0.000 0.466 300 P HA 0.091 nan 4.420 nan 0.000 0.261 300 P C 0.912 178.142 177.300 -0.117 0.000 1.183 300 P CA 0.809 63.838 63.100 -0.119 0.000 0.761 300 P CB 0.500 32.153 31.700 -0.077 0.000 0.785 301 G N 2.557 111.288 108.800 -0.115 0.000 2.176 301 G HA2 -0.259 3.705 3.960 0.007 0.000 0.253 301 G HA3 -0.259 3.705 3.960 0.007 0.000 0.253 301 G C 0.101 174.872 174.900 -0.216 0.000 0.979 301 G CA -0.291 44.744 45.100 -0.107 0.000 0.641 301 G HN 0.597 nan 8.290 nan 0.000 0.530 302 Q N 1.052 120.694 119.800 -0.264 0.000 2.965 302 Q HA 0.267 4.611 4.340 0.007 0.000 0.288 302 Q C -2.674 173.215 176.000 -0.185 0.000 0.974 302 Q CA -1.728 53.859 55.803 -0.360 0.000 0.849 302 Q CB 2.215 30.718 28.738 -0.392 0.000 1.280 302 Q HN 0.371 nan 8.270 nan 0.000 0.441 303 P HA 0.059 nan 4.420 nan 0.000 0.267 303 P C -0.628 176.638 177.300 -0.056 0.000 1.205 303 P CA 0.344 63.372 63.100 -0.120 0.000 0.765 303 P CB 0.969 32.598 31.700 -0.118 0.000 0.828 304 L N 3.512 124.686 121.223 -0.081 0.000 2.301 304 L HA 0.527 4.871 4.340 0.007 0.000 0.264 304 L C -0.213 176.564 176.870 -0.154 0.000 1.016 304 L CA -1.158 53.666 54.840 -0.027 0.000 0.821 304 L CB 1.246 43.246 42.059 -0.099 0.000 1.346 304 L HN 0.270 nan 8.230 nan 0.000 0.429 305 Y N -0.324 119.869 120.300 -0.180 0.000 2.487 305 Y HA 0.586 5.140 4.550 0.007 0.000 0.337 305 Y C -1.018 174.651 175.900 -0.385 0.000 1.076 305 Y CA -0.870 57.157 58.100 -0.123 0.000 1.115 305 Y CB 1.412 39.809 38.460 -0.105 0.000 1.235 305 Y HN 0.201 nan 8.280 nan 0.000 0.468 306 Y N 0.343 120.751 120.300 0.180 0.000 2.346 306 Y HA 0.666 5.219 4.550 0.006 0.000 0.332 306 Y C -0.291 175.633 175.900 0.040 0.000 0.985 306 Y CA -1.322 56.858 58.100 0.133 0.000 1.112 306 Y CB 1.731 40.295 38.460 0.173 0.000 1.170 306 Y HN 0.696 nan 8.280 nan 0.000 0.447 307 A N 2.388 125.291 122.820 0.139 0.000 2.274 307 A HA 0.590 4.914 4.320 0.007 0.000 0.309 307 A C 0.246 177.919 177.584 0.148 0.000 1.226 307 A CA -0.561 51.519 52.037 0.072 0.000 0.853 307 A CB 0.173 19.298 19.000 0.209 0.000 1.146 307 A HN 0.764 nan 8.150 nan 0.000 0.518 308 S N 2.505 118.266 115.700 0.101 0.000 2.600 308 S HA 0.254 4.728 4.470 0.007 0.000 0.265 308 S C 0.133 174.856 174.600 0.206 0.000 1.325 308 S CA -0.501 57.809 58.200 0.183 0.000 1.002 308 S CB 0.326 63.628 63.200 0.169 0.000 0.921 308 S HN 0.665 nan 8.310 nan 0.000 0.554 309 E N 0.860 121.172 120.200 0.185 0.000 2.481 309 E HA 0.042 4.396 4.350 0.007 0.000 0.263 309 E C 0.734 177.437 176.600 0.172 0.000 0.992 309 E CA 0.700 57.197 56.400 0.161 0.000 0.938 309 E CB -0.097 29.674 29.700 0.119 0.000 0.933 309 E HN 0.858 nan 8.360 nan 0.000 0.453 310 E N 0.223 120.517 120.200 0.157 0.000 3.916 310 E HA -0.310 4.044 4.350 0.007 0.000 0.331 310 E C 0.713 177.407 176.600 0.155 0.000 0.729 310 E CA 0.708 57.185 56.400 0.130 0.000 1.222 310 E CB -1.305 28.455 29.700 0.101 0.000 1.633 310 E HN 0.544 nan 8.360 nan 0.000 0.437 311 F N 0.919 120.913 119.950 0.074 0.000 2.113 311 F HA -0.026 4.505 4.527 0.008 0.000 0.297 311 F C 1.256 177.098 175.800 0.071 0.000 1.103 311 F CA 1.426 59.463 58.000 0.062 0.000 1.248 311 F CB 0.301 39.332 39.000 0.051 0.000 0.999 311 F HN -0.019 nan 8.300 nan 0.000 0.475 312 V N 0.098 120.086 119.914 0.122 0.000 2.713 312 V HA 0.384 4.508 4.120 0.007 0.000 0.307 312 V C -0.422 175.704 176.094 0.053 0.000 1.052 312 V CA -0.825 61.490 62.300 0.026 0.000 0.967 312 V CB 1.499 33.403 31.823 0.135 0.000 1.019 312 V HN 0.193 nan 8.190 nan 0.000 0.459 313 Q N 2.757 122.564 119.800 0.012 0.000 2.423 313 Q HA 0.625 4.969 4.340 0.007 0.000 0.235 313 Q C 0.127 176.165 176.000 0.062 0.000 1.100 313 Q CA 0.360 56.185 55.803 0.036 0.000 0.908 313 Q CB 0.935 29.682 28.738 0.016 0.000 1.312 313 Q HN 1.144 nan 8.270 nan 0.000 0.497 314 G N 1.782 110.613 108.800 0.052 0.000 2.677 314 G HA2 0.514 4.478 3.960 0.007 0.000 0.291 314 G HA3 0.514 4.478 3.960 0.007 0.000 0.291 314 G C -1.820 172.937 174.900 -0.237 0.000 1.435 314 G CA -0.449 44.596 45.100 -0.092 0.000 0.826 314 G HN 0.405 nan 8.290 nan 0.000 0.491 315 E N -0.181 119.659 120.200 -0.599 0.000 2.352 315 E HA 0.476 4.831 4.350 0.007 0.000 0.280 315 E C -1.766 174.522 176.600 -0.520 0.000 0.930 315 E CA -0.803 55.335 56.400 -0.436 0.000 0.765 315 E CB 2.532 32.034 29.700 -0.329 0.000 1.219 315 E HN 0.450 nan 8.360 nan 0.000 0.434 316 L N 4.340 125.417 121.223 -0.243 0.000 2.326 316 L HA 0.541 4.885 4.340 0.007 0.000 0.278 316 L C -1.583 175.144 176.870 -0.239 0.000 1.092 316 L CA 0.244 55.088 54.840 0.006 0.000 0.810 316 L CB 0.386 42.566 42.059 0.201 0.000 1.153 316 L HN 0.485 nan 8.230 nan 0.000 0.439 317 F N 3.512 123.497 119.950 0.057 0.000 2.508 317 F HA 0.480 5.011 4.527 0.007 0.000 0.325 317 F C 0.041 175.792 175.800 -0.083 0.000 1.090 317 F CA -0.808 57.188 58.000 -0.008 0.000 0.945 317 F CB 1.556 40.548 39.000 -0.013 0.000 1.156 317 F HN 0.341 nan 8.300 nan 0.000 0.463 318 K N 3.618 124.004 120.400 -0.024 0.000 2.227 318 K HA 0.435 4.759 4.320 0.007 0.000 0.280 318 K C 0.423 176.737 176.600 -0.477 0.000 1.041 318 K CA -0.247 55.748 56.287 -0.486 0.000 0.905 318 K CB 0.628 32.866 32.500 -0.436 0.000 1.068 318 K HN 0.823 nan 8.250 nan 0.000 0.470 319 I N 0.227 120.364 120.570 -0.721 0.000 4.288 319 I HA 0.187 4.361 4.170 0.007 0.000 0.331 319 I C -0.094 175.694 176.117 -0.548 0.000 1.322 319 I CA -0.359 60.467 61.300 -0.790 0.000 1.149 319 I CB 0.844 37.927 38.000 -1.529 0.000 1.112 319 I HN 0.517 nan 8.210 nan 0.000 0.403 320 T N -2.106 112.125 114.554 -0.539 0.000 2.901 320 T HA 0.578 4.933 4.350 0.007 0.000 0.293 320 T C -1.080 173.427 174.700 -0.321 0.000 1.084 320 T CA -0.434 61.447 62.100 -0.365 0.000 1.008 320 T CB 2.638 71.268 68.868 -0.396 0.000 1.170 320 T HN 0.103 nan 8.240 nan 0.000 0.509 321 D N 0.525 120.817 120.400 -0.180 0.000 2.826 321 D HA 0.327 4.971 4.640 0.007 0.000 0.239 321 D C -1.194 175.084 176.300 -0.037 0.000 1.329 321 D CA -0.019 53.906 54.000 -0.124 0.000 0.854 321 D CB 0.787 41.521 40.800 -0.109 0.000 1.494 321 D HN 0.652 nan 8.370 nan 0.000 0.540 322 T N 1.338 115.888 114.554 -0.006 0.000 2.893 322 T HA 0.456 4.811 4.350 0.007 0.000 0.291 322 T C -1.952 172.788 174.700 0.067 0.000 1.028 322 T CA -1.449 60.707 62.100 0.093 0.000 0.995 322 T CB 2.349 71.340 68.868 0.205 0.000 1.051 322 T HN -0.079 nan 8.240 nan 0.000 0.470 323 P HA 0.071 nan 4.420 nan 0.000 0.229 323 P C -0.126 177.109 177.300 -0.108 0.000 1.160 323 P CA 0.454 63.484 63.100 -0.117 0.000 0.777 323 P CB -0.055 31.486 31.700 -0.264 0.000 0.814 324 Y N -1.420 118.921 120.300 0.069 0.000 2.426 324 Y HA 0.011 4.565 4.550 0.007 0.000 0.344 324 Y C 0.980 176.996 175.900 0.193 0.000 1.256 324 Y CA -0.333 57.867 58.100 0.166 0.000 1.451 324 Y CB -0.153 38.454 38.460 0.244 0.000 1.342 324 Y HN -0.111 nan 8.280 nan 0.000 0.600 325 Y N 3.066 123.508 120.300 0.236 0.000 2.674 325 Y HA 0.084 4.638 4.550 0.006 0.000 0.354 325 Y C -0.561 175.438 175.900 0.165 0.000 1.089 325 Y CA -0.532 57.634 58.100 0.109 0.000 1.444 325 Y CB -0.722 37.736 38.460 -0.004 0.000 1.187 325 Y HN 0.472 nan 8.280 nan 0.000 0.523 326 N N 4.635 123.402 118.700 0.112 0.000 2.437 326 N HA 0.710 5.454 4.740 0.007 0.000 0.259 326 N C -0.958 174.455 175.510 -0.162 0.000 0.983 326 N CA -0.308 52.793 53.050 0.085 0.000 0.937 326 N CB 1.095 39.510 38.487 -0.119 0.000 1.122 326 N HN 0.631 nan 8.380 nan 0.000 0.499 327 A N 1.520 124.300 122.820 -0.067 0.000 2.493 327 A HA 0.521 4.846 4.320 0.007 0.000 0.300 327 A C -1.422 176.142 177.584 -0.033 0.000 1.152 327 A CA -0.761 50.985 52.037 -0.486 0.000 0.643 327 A CB 0.695 18.771 19.000 -1.539 0.000 1.316 327 A HN 0.724 nan 8.150 nan 0.000 0.469 328 W N -2.368 119.022 121.300 0.150 0.000 5.820 328 W HA -0.117 4.546 4.660 0.005 0.000 0.415 328 W C -2.253 174.374 176.519 0.180 0.000 1.627 328 W CA 0.202 57.640 57.345 0.154 0.000 0.991 328 W CB -2.297 27.222 29.460 0.099 0.000 2.842 328 W HN 0.563 nan 8.180 nan 0.000 1.416 329 P HA -0.189 nan 4.420 nan 0.000 0.219 329 P C 1.140 178.607 177.300 0.279 0.000 1.146 329 P CA 1.881 65.139 63.100 0.265 0.000 0.808 329 P CB 0.080 31.874 31.700 0.157 0.000 0.779 330 Q N 1.097 121.095 119.800 0.330 0.000 2.436 330 Q HA -0.072 4.272 4.340 0.007 0.000 0.326 330 Q C -0.455 175.682 176.000 0.228 0.000 1.079 330 Q CA 0.416 56.435 55.803 0.359 0.000 1.049 330 Q CB -0.432 28.638 28.738 0.552 0.000 1.047 330 Q HN -0.009 nan 8.270 nan 0.000 0.386 331 D N 2.848 123.246 120.400 -0.004 0.000 2.404 331 D HA 0.239 4.883 4.640 0.007 0.000 0.267 331 D C -0.577 175.783 176.300 0.100 0.000 1.194 331 D CA -0.597 53.424 54.000 0.035 0.000 0.910 331 D CB 0.650 41.355 40.800 -0.158 0.000 1.090 331 D HN 0.655 nan 8.370 nan 0.000 0.511 332 K N 0.965 121.471 120.400 0.176 0.000 2.481 332 K HA 0.374 4.698 4.320 0.007 0.000 0.210 332 K C 0.535 177.310 176.600 0.291 0.000 1.161 332 K CA -0.412 55.999 56.287 0.207 0.000 1.023 332 K CB 1.303 33.930 32.500 0.212 0.000 0.971 332 K HN 0.326 nan 8.250 nan 0.000 0.577 333 A N 1.733 124.696 122.820 0.238 0.000 2.425 333 A HA 0.472 4.796 4.320 0.007 0.000 0.242 333 A C -0.158 177.584 177.584 0.264 0.000 1.077 333 A CA 0.202 52.343 52.037 0.174 0.000 0.781 333 A CB -0.277 18.812 19.000 0.148 0.000 1.020 333 A HN 0.292 nan 8.150 nan 0.000 0.494 334 F N -0.653 119.347 119.950 0.083 0.000 2.719 334 F HA 0.588 5.120 4.527 0.007 0.000 0.309 334 F C -0.881 174.974 175.800 0.091 0.000 1.138 334 F CA -1.188 56.844 58.000 0.053 0.000 0.943 334 F CB 1.135 40.102 39.000 -0.056 0.000 1.304 334 F HN 0.689 nan 8.300 nan 0.000 0.445 335 V N 1.794 121.868 119.914 0.267 0.000 2.513 335 V HA 0.760 4.884 4.120 0.007 0.000 0.299 335 V C -2.254 174.068 176.094 0.380 0.000 1.035 335 V CA -0.618 61.807 62.300 0.208 0.000 0.889 335 V CB 1.637 33.506 31.823 0.076 0.000 0.988 335 V HN 1.030 nan 8.190 nan 0.000 0.440 336 Y N 3.580 124.005 120.300 0.208 0.000 2.386 336 Y HA 0.449 5.004 4.550 0.007 0.000 0.334 336 Y C 0.292 176.252 175.900 0.100 0.000 1.002 336 Y CA -0.678 57.508 58.100 0.144 0.000 1.068 336 Y CB 1.602 40.122 38.460 0.101 0.000 1.203 336 Y HN 0.976 nan 8.280 nan 0.000 0.443 337 E N 5.287 125.214 120.200 -0.454 0.000 2.131 337 E HA -0.420 3.935 4.350 0.007 0.000 0.166 337 E C 0.107 176.619 176.600 -0.147 0.000 1.514 337 E CA 1.340 57.533 56.400 -0.345 0.000 0.646 337 E CB -0.962 28.446 29.700 -0.487 0.000 1.051 337 E HN 0.977 nan 8.360 nan 0.000 0.315 338 N N -2.496 116.145 118.700 -0.098 0.000 2.961 338 N HA -0.216 4.528 4.740 0.007 0.000 0.223 338 N C -0.331 175.094 175.510 -0.141 0.000 0.866 338 N CA 1.149 54.142 53.050 -0.095 0.000 1.030 338 N CB -0.431 38.002 38.487 -0.091 0.000 1.037 338 N HN 0.177 nan 8.380 nan 0.000 0.608 339 V N 1.760 121.606 119.914 -0.115 0.000 2.465 339 V HA 0.389 4.514 4.120 0.007 0.000 0.279 339 V C 0.509 176.432 176.094 -0.284 0.000 1.045 339 V CA -0.394 61.750 62.300 -0.259 0.000 0.938 339 V CB 1.403 33.059 31.823 -0.279 0.000 0.986 339 V HN 0.100 nan 8.190 nan 0.000 0.467 340 I N 5.135 125.391 120.570 -0.523 0.000 2.325 340 I HA 0.334 4.508 4.170 0.007 0.000 0.291 340 I C -0.872 174.858 176.117 -0.646 0.000 1.019 340 I CA -0.295 60.711 61.300 -0.491 0.000 1.302 340 I CB 0.618 38.244 38.000 -0.624 0.000 1.401 340 I HN 0.481 nan 8.210 nan 0.000 0.485 341 Y N 4.523 124.433 120.300 -0.651 0.000 2.341 341 Y HA 0.575 5.129 4.550 0.007 0.000 0.337 341 Y C 0.380 176.024 175.900 -0.428 0.000 1.014 341 Y CA -0.777 56.829 58.100 -0.822 0.000 1.111 341 Y CB 1.904 39.295 38.460 -1.782 0.000 1.194 341 Y HN 0.584 nan 8.280 nan 0.000 0.462 342 A N 6.140 128.945 122.820 -0.026 0.000 2.938 342 A HA 0.547 4.871 4.320 0.007 0.000 0.344 342 A C -2.875 174.907 177.584 0.330 0.000 1.142 342 A CA -1.743 50.369 52.037 0.125 0.000 0.841 342 A CB -0.219 18.813 19.000 0.052 0.000 1.083 342 A HN 0.402 nan 8.150 nan 0.000 0.479 343 P HA 0.425 nan 4.420 nan 0.000 0.270 343 P C -0.580 176.994 177.300 0.457 0.000 1.223 343 P CA 0.386 63.769 63.100 0.472 0.000 0.785 343 P CB 0.251 32.212 31.700 0.435 0.000 0.923 344 Y N -2.191 118.229 120.300 0.200 0.000 2.930 344 Y HA 0.664 5.218 4.550 0.007 0.000 0.336 344 Y C -1.547 174.457 175.900 0.173 0.000 1.416 344 Y CA -1.351 56.858 58.100 0.182 0.000 1.091 344 Y CB 0.719 39.267 38.460 0.146 0.000 1.631 344 Y HN 0.062 nan 8.280 nan 0.000 0.436 345 M N 1.503 121.330 119.600 0.378 0.000 2.321 345 M HA 0.584 5.069 4.480 0.007 0.000 0.315 345 M C -0.508 176.074 176.300 0.469 0.000 1.052 345 M CA -0.769 54.653 55.300 0.203 0.000 0.936 345 M CB 2.420 35.106 32.600 0.144 0.000 1.639 345 M HN 0.915 nan 8.290 nan 0.000 0.433 346 G N 1.680 110.604 108.800 0.207 0.000 2.468 346 G HA2 0.586 4.551 3.960 0.007 0.000 0.320 346 G HA3 0.586 4.551 3.960 0.007 0.000 0.320 346 G C -0.330 174.656 174.900 0.143 0.000 1.137 346 G CA -0.290 45.000 45.100 0.317 0.000 0.984 346 G HN 0.772 nan 8.290 nan 0.000 0.462 347 S N 0.766 116.657 115.700 0.319 0.000 2.998 347 S HA 0.610 5.085 4.470 0.007 0.000 0.307 347 S C 0.391 175.157 174.600 0.277 0.000 1.063 347 S CA 0.087 58.414 58.200 0.212 0.000 0.895 347 S CB 1.796 65.055 63.200 0.099 0.000 1.362 347 S HN 0.394 nan 8.310 nan 0.000 0.657 348 D N -0.599 119.855 120.400 0.090 0.000 2.433 348 D HA 0.244 4.888 4.640 0.007 0.000 0.211 348 D C 0.545 176.674 176.300 -0.285 0.000 1.114 348 D CA -0.253 53.662 54.000 -0.142 0.000 0.837 348 D CB 0.039 40.851 40.800 0.021 0.000 0.984 348 D HN 0.775 nan 8.370 nan 0.000 0.505 349 R N -1.717 118.656 120.500 -0.213 0.000 2.789 349 R HA 0.229 4.573 4.340 0.007 0.000 0.279 349 R C -1.462 174.694 176.300 -0.240 0.000 1.010 349 R CA -0.789 55.144 56.100 -0.279 0.000 0.855 349 R CB -0.260 29.986 30.300 -0.089 0.000 1.312 349 R HN -0.198 nan 8.270 nan 0.000 0.479 350 H N -0.081 118.825 119.070 -0.274 0.000 3.524 350 H HA 0.450 5.012 4.556 0.010 0.000 0.242 350 H C 0.360 175.575 175.328 -0.189 0.000 1.328 350 H CA 1.822 57.799 56.048 -0.120 0.000 1.534 350 H CB 0.047 29.821 29.762 0.020 0.000 1.689 350 H HN 0.857 nan 8.280 nan 0.000 0.537 351 G N -0.259 108.400 108.800 -0.236 0.000 2.337 351 G HA2 0.101 4.066 3.960 0.007 0.000 0.298 351 G HA3 0.101 4.066 3.960 0.007 0.000 0.298 351 G C 0.264 175.054 174.900 -0.182 0.000 1.335 351 G CA -0.282 44.709 45.100 -0.182 0.000 0.875 351 G HN 0.500 nan 8.290 nan 0.000 0.579 352 V N -1.685 118.148 119.914 -0.135 0.000 3.623 352 V HA 0.441 4.565 4.120 0.007 0.000 0.271 352 V C 1.336 177.410 176.094 -0.032 0.000 1.248 352 V CA 1.089 63.332 62.300 -0.096 0.000 1.156 352 V CB -0.069 31.691 31.823 -0.105 0.000 0.870 352 V HN 1.441 nan 8.190 nan 0.000 0.453 353 S N 1.434 117.123 115.700 -0.018 0.000 2.533 353 S HA 0.300 4.774 4.470 0.007 0.000 0.282 353 S C 1.040 175.706 174.600 0.110 0.000 1.304 353 S CA 0.199 58.444 58.200 0.075 0.000 1.063 353 S CB -0.280 62.939 63.200 0.033 0.000 0.881 353 S HN 0.702 nan 8.310 nan 0.000 0.493 354 R N -0.253 120.359 120.500 0.188 0.000 4.000 354 R HA -0.178 4.166 4.340 0.007 0.000 0.362 354 R C -0.293 175.919 176.300 -0.146 0.000 1.183 354 R CA 0.773 56.896 56.100 0.038 0.000 1.011 354 R CB -1.931 28.486 30.300 0.194 0.000 1.501 354 R HN 0.590 nan 8.270 nan 0.000 0.553 355 L N 1.723 122.829 121.223 -0.195 0.000 2.349 355 L HA 0.316 4.661 4.340 0.007 0.000 0.275 355 L C -0.110 176.433 176.870 -0.544 0.000 1.115 355 L CA 0.104 54.793 54.840 -0.251 0.000 0.820 355 L CB 0.655 42.632 42.059 -0.137 0.000 1.135 355 L HN 0.037 nan 8.230 nan 0.000 0.445 356 H N 4.357 123.186 119.070 -0.402 0.000 2.547 356 H HA 0.362 4.922 4.556 0.007 0.000 0.342 356 H C -0.743 174.385 175.328 -0.333 0.000 1.048 356 H CA -0.727 55.019 56.048 -0.503 0.000 1.204 356 H CB 2.033 31.168 29.762 -1.044 0.000 1.493 356 H HN 0.467 nan 8.280 nan 0.000 0.511 357 V N 3.702 123.503 119.914 -0.188 0.000 2.585 357 V HA 0.098 4.223 4.120 0.007 0.000 0.296 357 V C 0.387 176.352 176.094 -0.215 0.000 1.035 357 V CA 0.427 62.600 62.300 -0.212 0.000 1.084 357 V CB 0.617 32.295 31.823 -0.241 0.000 0.953 357 V HN 0.768 nan 8.190 nan 0.000 0.483 358 S N 3.475 118.961 115.700 -0.357 0.000 2.651 358 S HA 0.857 5.331 4.470 0.007 0.000 0.279 358 S C -1.292 173.131 174.600 -0.296 0.000 1.148 358 S CA -0.773 57.180 58.200 -0.410 0.000 0.837 358 S CB 2.208 65.048 63.200 -0.599 0.000 1.138 358 S HN 0.895 nan 8.310 nan 0.000 0.478 359 W N 0.216 121.476 121.300 -0.067 0.000 3.118 359 W HA 0.775 5.439 4.660 0.007 0.000 0.328 359 W C -1.596 175.065 176.519 0.235 0.000 1.239 359 W CA -1.465 55.970 57.345 0.150 0.000 1.176 359 W CB -0.290 29.269 29.460 0.164 0.000 1.433 359 W HN 0.669 nan 8.180 nan 0.000 0.562 360 V N -0.130 120.129 119.914 0.575 0.000 2.919 360 V HA 0.808 4.932 4.120 0.007 0.000 0.316 360 V C -0.486 175.680 176.094 0.120 0.000 1.077 360 V CA -1.604 60.899 62.300 0.337 0.000 0.977 360 V CB 1.693 33.672 31.823 0.260 0.000 1.039 360 V HN 0.631 nan 8.190 nan 0.000 0.441 361 K N 1.195 121.556 120.400 -0.066 0.000 2.385 361 K HA 0.713 5.037 4.320 0.007 0.000 0.248 361 K C -0.948 175.308 176.600 -0.575 0.000 0.955 361 K CA -0.540 55.440 56.287 -0.512 0.000 0.816 361 K CB 2.177 34.176 32.500 -0.834 0.000 1.250 361 K HN 0.782 nan 8.250 nan 0.000 0.434 362 S N 0.008 115.065 115.700 -1.071 0.000 2.478 362 S HA 0.447 4.921 4.470 0.007 0.000 0.312 362 S C 0.390 174.508 174.600 -0.803 0.000 1.094 362 S CA -0.590 56.848 58.200 -1.269 0.000 1.081 362 S CB 1.040 62.916 63.200 -2.208 0.000 1.007 362 S HN 0.786 nan 8.310 nan 0.000 0.475 363 G N 2.154 110.616 108.800 -0.564 0.000 3.189 363 G HA2 0.188 4.152 3.960 0.007 0.000 0.225 363 G HA3 0.188 4.152 3.960 0.007 0.000 0.225 363 G C -0.107 174.617 174.900 -0.293 0.000 1.159 363 G CA -0.160 44.718 45.100 -0.370 0.000 0.763 363 G HN 0.792 nan 8.290 nan 0.000 0.549 364 D N -1.010 119.175 120.400 -0.359 0.000 2.837 364 D HA 0.175 4.820 4.640 0.007 0.000 0.340 364 D C -0.129 175.985 176.300 -0.310 0.000 1.451 364 D CA -0.760 53.097 54.000 -0.237 0.000 0.798 364 D CB -0.113 40.634 40.800 -0.089 0.000 1.169 364 D HN -0.053 nan 8.370 nan 0.000 0.449 365 D N 0.130 120.304 120.400 -0.376 0.000 2.870 365 D HA -0.121 4.523 4.640 0.007 0.000 0.228 365 D C 1.379 177.445 176.300 -0.391 0.000 1.147 365 D CA 1.612 55.414 54.000 -0.329 0.000 0.757 365 D CB -1.444 39.249 40.800 -0.179 0.000 1.091 365 D HN 0.760 nan 8.370 nan 0.000 0.429 366 G N -0.599 107.801 108.800 -0.667 0.000 2.175 366 G HA2 -0.403 3.561 3.960 0.007 0.000 0.244 366 G HA3 -0.403 3.561 3.960 0.007 0.000 0.244 366 G C 0.961 175.427 174.900 -0.723 0.000 0.982 366 G CA 0.606 45.303 45.100 -0.672 0.000 0.641 366 G HN 0.475 nan 8.290 nan 0.000 0.527 367 Q N -0.434 118.988 119.800 -0.630 0.000 2.226 367 Q HA 0.086 4.431 4.340 0.007 0.000 0.204 367 Q C 0.700 176.603 176.000 -0.163 0.000 0.975 367 Q CA 1.496 57.027 55.803 -0.453 0.000 0.866 367 Q CB 0.158 28.620 28.738 -0.459 0.000 0.915 367 Q HN 0.446 nan 8.270 nan 0.000 0.440 368 T N -0.609 113.777 114.554 -0.280 0.000 2.956 368 T HA 0.426 4.780 4.350 0.007 0.000 0.312 368 T C -1.961 172.512 174.700 -0.377 0.000 1.151 368 T CA -0.629 61.418 62.100 -0.089 0.000 1.024 368 T CB 1.025 69.937 68.868 0.073 0.000 1.140 368 T HN 0.112 nan 8.240 nan 0.000 0.473 369 W N 1.532 122.730 121.300 -0.170 0.000 2.882 369 W HA 0.637 5.302 4.660 0.009 0.000 0.345 369 W C 0.470 176.906 176.519 -0.139 0.000 1.125 369 W CA -0.766 56.471 57.345 -0.181 0.000 1.167 369 W CB 1.080 30.419 29.460 -0.200 0.000 1.431 369 W HN 0.695 nan 8.180 nan 0.000 0.543 370 S N -0.424 115.320 115.700 0.073 0.000 2.645 370 S HA 0.491 4.966 4.470 0.007 0.000 0.266 370 S C 0.007 174.642 174.600 0.057 0.000 1.258 370 S CA -0.628 57.586 58.200 0.023 0.000 0.990 370 S CB 0.708 63.893 63.200 -0.025 0.000 0.967 370 S HN 0.341 nan 8.310 nan 0.000 0.556 371 T N 3.763 118.332 114.554 0.026 0.000 2.888 371 T HA 0.280 4.635 4.350 0.007 0.000 0.301 371 T C -2.304 172.421 174.700 0.041 0.000 1.001 371 T CA -0.369 61.737 62.100 0.011 0.000 1.147 371 T CB -0.144 68.704 68.868 -0.034 0.000 0.931 371 T HN 0.514 nan 8.240 nan 0.000 0.541 372 P HA 0.077 nan 4.420 nan 0.000 0.264 372 P C -0.314 176.962 177.300 -0.040 0.000 1.179 372 P CA 0.080 63.246 63.100 0.111 0.000 0.763 372 P CB 0.433 32.228 31.700 0.158 0.000 0.806 373 E N 2.422 122.632 120.200 0.016 0.000 2.248 373 E HA 0.257 4.612 4.350 0.007 0.000 0.267 373 E C -1.204 175.348 176.600 -0.081 0.000 0.877 373 E CA -0.834 55.509 56.400 -0.094 0.000 0.759 373 E CB 0.752 30.475 29.700 0.038 0.000 1.182 373 E HN 0.232 nan 8.360 nan 0.000 0.418 374 W N 5.585 126.778 121.300 -0.178 0.000 2.322 374 W HA 0.254 4.918 4.660 0.007 0.000 0.307 374 W C 0.579 177.016 176.519 -0.135 0.000 1.220 374 W CA -0.698 56.526 57.345 -0.202 0.000 1.210 374 W CB 0.588 29.886 29.460 -0.271 0.000 1.223 374 W HN 0.709 nan 8.180 nan 0.000 0.511 375 L N 2.171 123.418 121.223 0.040 0.000 2.357 375 L HA 0.048 4.392 4.340 0.007 0.000 0.211 375 L C 1.340 178.291 176.870 0.134 0.000 1.075 375 L CA 0.785 55.656 54.840 0.052 0.000 0.830 375 L CB -0.436 41.536 42.059 -0.145 0.000 0.996 375 L HN 0.295 nan 8.230 nan 0.000 0.467 376 T N -3.498 111.056 114.554 -0.001 0.000 2.888 376 T HA 0.378 4.732 4.350 0.007 0.000 0.284 376 T C -0.373 174.379 174.700 0.086 0.000 1.017 376 T CA -0.933 61.117 62.100 -0.083 0.000 1.022 376 T CB 2.281 70.932 68.868 -0.362 0.000 1.013 376 T HN -0.157 nan 8.240 nan 0.000 0.465 377 D N 1.066 121.535 120.400 0.115 0.000 2.383 377 D HA 0.287 4.932 4.640 0.007 0.000 0.248 377 D C 0.580 176.896 176.300 0.027 0.000 1.170 377 D CA -0.429 53.641 54.000 0.117 0.000 0.977 377 D CB 0.877 41.760 40.800 0.139 0.000 1.120 377 D HN 0.512 nan 8.370 nan 0.000 0.481 378 L N 1.319 122.447 121.223 -0.158 0.000 2.490 378 L HA -0.037 4.308 4.340 0.007 0.000 0.274 378 L C 1.255 178.131 176.870 0.010 0.000 1.201 378 L CA 0.168 54.867 54.840 -0.234 0.000 0.869 378 L CB 0.126 41.885 42.059 -0.500 0.000 1.123 378 L HN 0.338 nan 8.230 nan 0.000 0.484 379 H N 5.428 124.410 119.070 -0.146 0.000 2.897 379 H HA 0.007 4.567 4.556 0.008 0.000 0.347 379 H C -1.722 173.582 175.328 -0.041 0.000 1.068 379 H CA -1.144 54.751 56.048 -0.255 0.000 1.426 379 H CB 1.431 30.825 29.762 -0.614 0.000 1.410 379 H HN 0.366 nan 8.280 nan 0.000 0.597 380 P HA -0.146 nan 4.420 nan 0.000 0.217 380 P C 0.267 177.645 177.300 0.130 0.000 1.148 380 P CA 1.470 64.548 63.100 -0.036 0.000 0.834 380 P CB 0.300 31.921 31.700 -0.132 0.000 0.783 381 D N -3.239 117.377 120.400 0.359 0.000 2.388 381 D HA 0.032 4.676 4.640 0.007 0.000 0.221 381 D C 0.243 176.603 176.300 0.099 0.000 1.133 381 D CA -0.385 53.736 54.000 0.203 0.000 0.831 381 D CB -0.778 40.111 40.800 0.148 0.000 0.962 381 D HN 0.199 nan 8.370 nan 0.000 0.502 382 Y N 2.881 123.198 120.300 0.028 0.000 2.805 382 Y HA 0.017 4.571 4.550 0.007 0.000 0.337 382 Y C -1.217 174.667 175.900 -0.028 0.000 1.252 382 Y CA -0.745 57.330 58.100 -0.042 0.000 1.515 382 Y CB 0.843 39.274 38.460 -0.047 0.000 1.305 382 Y HN -0.043 nan 8.280 nan 0.000 0.600 383 P HA 0.135 nan 4.420 nan 0.000 0.254 383 P C 0.287 177.242 177.300 -0.574 0.000 1.620 383 P CA 0.161 62.614 63.100 -1.078 0.000 1.050 383 P CB 0.301 31.504 31.700 -0.827 0.000 1.539 384 T N -0.942 113.409 114.554 -0.339 0.000 2.896 384 T HA 0.067 4.422 4.350 0.007 0.000 0.263 384 T C 1.082 175.609 174.700 -0.289 0.000 1.050 384 T CA 0.940 62.888 62.100 -0.254 0.000 1.140 384 T CB -0.111 68.656 68.868 -0.167 0.000 0.877 384 T HN 0.166 nan 8.240 nan 0.000 0.457 385 V N -1.301 118.407 119.914 -0.343 0.000 3.114 385 V HA 0.728 4.852 4.120 0.007 0.000 0.308 385 V C -1.313 174.543 176.094 -0.397 0.000 1.168 385 V CA -1.270 60.790 62.300 -0.400 0.000 1.015 385 V CB 2.270 33.778 31.823 -0.525 0.000 1.050 385 V HN 0.291 nan 8.190 nan 0.000 0.433 386 N N -0.446 118.036 118.700 -0.363 0.000 2.927 386 N HA 0.544 5.288 4.740 0.007 0.000 0.248 386 N C -1.778 173.551 175.510 -0.301 0.000 1.443 386 N CA -0.692 52.188 53.050 -0.284 0.000 0.870 386 N CB 2.086 40.557 38.487 -0.025 0.000 1.444 386 N HN 0.720 nan 8.380 nan 0.000 0.519 387 Y N 0.738 120.993 120.300 -0.076 0.000 2.330 387 Y HA 0.290 4.845 4.550 0.007 0.000 0.341 387 Y C 0.561 176.399 175.900 -0.103 0.000 1.278 387 Y CA 0.302 58.321 58.100 -0.135 0.000 1.453 387 Y CB 0.377 38.688 38.460 -0.248 0.000 1.342 387 Y HN 0.330 nan 8.280 nan 0.000 0.590 388 H N 0.252 119.293 119.070 -0.049 0.000 3.112 388 H HA 0.423 4.984 4.556 0.007 0.000 0.347 388 H C -1.862 173.393 175.328 -0.122 0.000 1.188 388 H CA -0.890 55.086 56.048 -0.119 0.000 1.240 388 H CB 1.807 31.490 29.762 -0.131 0.000 1.920 388 H HN 0.836 nan 8.280 nan 0.000 0.535 389 C N 6.192 125.208 119.300 -0.473 0.000 2.871 389 C HA 0.474 4.939 4.460 0.007 0.000 0.378 389 C C -0.228 174.644 174.990 -0.197 0.000 1.052 389 C CA -0.392 58.488 59.018 -0.230 0.000 1.250 389 C CB 0.307 27.919 27.740 -0.214 0.000 1.689 389 C HN 0.973 nan 8.230 nan 0.000 0.506 390 M N 3.600 123.199 119.600 -0.001 0.000 2.410 390 M HA 0.260 4.745 4.480 0.007 0.000 0.376 390 M C 0.186 176.548 176.300 0.103 0.000 1.051 390 M CA 0.293 55.655 55.300 0.103 0.000 0.949 390 M CB 0.734 33.502 32.600 0.279 0.000 1.577 390 M HN 0.675 nan 8.290 nan 0.000 0.560 391 S N 1.513 117.279 115.700 0.109 0.000 2.672 391 S HA 0.799 5.274 4.470 0.007 0.000 0.291 391 S C -1.059 173.603 174.600 0.103 0.000 1.145 391 S CA -0.485 57.809 58.200 0.158 0.000 1.013 391 S CB 1.252 64.601 63.200 0.248 0.000 1.017 391 S HN 0.390 nan 8.310 nan 0.000 0.487 392 M N 4.471 124.093 119.600 0.037 0.000 2.490 392 M HA 0.647 5.131 4.480 0.007 0.000 0.286 392 M C -0.907 175.009 176.300 -0.639 0.000 1.185 392 M CA -0.110 55.068 55.300 -0.203 0.000 0.912 392 M CB 1.736 34.335 32.600 -0.002 0.000 1.744 392 M HN 0.891 nan 8.290 nan 0.000 0.494 393 G N 1.425 109.430 108.800 -1.326 0.000 2.428 393 G HA2 0.576 4.540 3.960 0.007 0.000 0.304 393 G HA3 0.576 4.540 3.960 0.007 0.000 0.304 393 G C -2.371 171.695 174.900 -1.390 0.000 1.303 393 G CA -0.565 43.537 45.100 -1.664 0.000 0.825 393 G HN 0.635 nan 8.290 nan 0.000 0.484 394 V N -0.413 118.954 119.914 -0.911 0.000 2.540 394 V HA 0.631 4.756 4.120 0.007 0.000 0.302 394 V C -0.583 175.509 176.094 -0.003 0.000 1.035 394 V CA -0.647 61.361 62.300 -0.486 0.000 0.873 394 V CB 1.324 32.801 31.823 -0.576 0.000 0.992 394 V HN 1.052 nan 8.190 nan 0.000 0.428 395 C N 6.294 125.736 119.300 0.236 0.000 2.397 395 C HA 0.696 5.160 4.460 0.007 0.000 0.325 395 C C 0.655 175.952 174.990 0.510 0.000 1.201 395 C CA -0.725 58.548 59.018 0.425 0.000 1.377 395 C CB 0.255 28.325 27.740 0.550 0.000 2.038 395 C HN 1.046 nan 8.230 nan 0.000 0.457 396 R N 4.386 125.081 120.500 0.325 0.000 3.264 396 R HA -0.210 4.135 4.340 0.007 0.000 0.251 396 R C 0.463 176.885 176.300 0.204 0.000 0.971 396 R CA 1.484 57.700 56.100 0.194 0.000 0.658 396 R CB -2.065 28.219 30.300 -0.028 0.000 1.095 396 R HN 1.106 nan 8.270 nan 0.000 0.443 397 N N -1.864 116.931 118.700 0.158 0.000 2.800 397 N HA -0.225 4.520 4.740 0.007 0.000 0.250 397 N C -0.792 174.652 175.510 -0.110 0.000 1.078 397 N CA 1.576 54.657 53.050 0.052 0.000 0.804 397 N CB -0.463 38.107 38.487 0.137 0.000 1.135 397 N HN 0.579 nan 8.380 nan 0.000 0.565 398 R N 0.255 120.716 120.500 -0.064 0.000 2.599 398 R HA 0.492 4.836 4.340 0.007 0.000 0.295 398 R C -0.820 175.243 176.300 -0.395 0.000 0.963 398 R CA -1.046 54.893 56.100 -0.268 0.000 0.883 398 R CB 1.669 31.754 30.300 -0.358 0.000 1.171 398 R HN 0.012 nan 8.270 nan 0.000 0.450 399 L N 3.048 123.995 121.223 -0.461 0.000 2.367 399 L HA 0.345 4.690 4.340 0.007 0.000 0.275 399 L C -1.283 175.302 176.870 -0.476 0.000 1.129 399 L CA 0.607 55.195 54.840 -0.421 0.000 0.839 399 L CB 0.189 42.174 42.059 -0.123 0.000 1.133 399 L HN 0.405 nan 8.230 nan 0.000 0.453 400 F N 4.267 123.995 119.950 -0.370 0.000 2.507 400 F HA 0.765 5.296 4.527 0.007 0.000 0.325 400 F C 0.175 175.817 175.800 -0.263 0.000 1.116 400 F CA -0.347 57.486 58.000 -0.278 0.000 0.930 400 F CB 1.925 40.625 39.000 -0.500 0.000 1.146 400 F HN 0.603 nan 8.300 nan 0.000 0.447 401 A N 3.402 126.277 122.820 0.093 0.000 2.449 401 A HA 0.743 5.067 4.320 0.007 0.000 0.302 401 A C -1.329 176.261 177.584 0.009 0.000 1.048 401 A CA -0.776 51.265 52.037 0.007 0.000 0.708 401 A CB 1.494 20.462 19.000 -0.053 0.000 1.274 401 A HN 0.704 nan 8.150 nan 0.000 0.410 402 M N 3.755 123.359 119.600 0.007 0.000 2.201 402 M HA 0.370 4.854 4.480 0.007 0.000 0.345 402 M C -1.120 175.098 176.300 -0.137 0.000 1.352 402 M CA -0.496 54.797 55.300 -0.012 0.000 1.218 402 M CB -0.463 32.184 32.600 0.078 0.000 1.512 402 M HN 0.464 nan 8.290 nan 0.000 0.447 403 I N 5.007 125.374 120.570 -0.337 0.000 2.312 403 I HA 0.225 4.400 4.170 0.007 0.000 0.291 403 I C 0.186 176.170 176.117 -0.221 0.000 1.031 403 I CA -0.051 60.921 61.300 -0.547 0.000 1.293 403 I CB 0.250 37.333 38.000 -1.528 0.000 1.403 403 I HN 0.664 nan 8.210 nan 0.000 0.484 404 E N 4.314 124.475 120.200 -0.064 0.000 2.248 404 E HA 0.477 4.832 4.350 0.007 0.000 0.272 404 E C -0.549 176.092 176.600 0.067 0.000 1.008 404 E CA -0.652 55.767 56.400 0.031 0.000 0.856 404 E CB 1.561 31.305 29.700 0.073 0.000 1.120 404 E HN 0.410 nan 8.360 nan 0.000 0.397 405 T N 2.633 117.193 114.554 0.010 0.000 2.779 405 T HA 0.449 4.804 4.350 0.007 0.000 0.280 405 T C -0.368 174.239 174.700 -0.154 0.000 0.987 405 T CA -0.766 61.273 62.100 -0.101 0.000 0.966 405 T CB 0.680 69.477 68.868 -0.118 0.000 0.933 405 T HN 0.285 nan 8.240 nan 0.000 0.442 406 R N 1.194 121.569 120.500 -0.208 0.000 2.744 406 R HA 0.574 4.918 4.340 0.007 0.000 0.279 406 R C -0.156 176.009 176.300 -0.225 0.000 0.977 406 R CA -1.043 54.931 56.100 -0.209 0.000 0.906 406 R CB 1.475 31.628 30.300 -0.244 0.000 1.197 406 R HN 0.719 nan 8.270 nan 0.000 0.463 407 T N -0.440 113.998 114.554 -0.194 0.000 2.919 407 T HA 0.121 4.475 4.350 0.007 0.000 0.302 407 T C 1.310 175.902 174.700 -0.180 0.000 1.031 407 T CA -0.560 61.427 62.100 -0.188 0.000 1.127 407 T CB 0.744 69.523 68.868 -0.148 0.000 0.952 407 T HN 0.404 nan 8.240 nan 0.000 0.540 408 L N 2.580 123.685 121.223 -0.197 0.000 2.083 408 L HA 0.059 4.404 4.340 0.007 0.000 0.209 408 L C 2.894 179.686 176.870 -0.130 0.000 1.083 408 L CA 1.979 56.714 54.840 -0.176 0.000 0.752 408 L CB -0.976 40.943 42.059 -0.233 0.000 0.899 408 L HN 0.986 nan 8.230 nan 0.000 0.433 409 A N -0.902 121.845 122.820 -0.121 0.000 1.902 409 A HA -0.183 4.141 4.320 0.007 0.000 0.217 409 A C 2.126 179.667 177.584 -0.072 0.000 1.181 409 A CA 1.850 53.835 52.037 -0.087 0.000 0.623 409 A CB -0.149 18.804 19.000 -0.077 0.000 0.818 409 A HN 0.396 nan 8.150 nan 0.000 0.443 410 K N -2.624 117.726 120.400 -0.083 0.000 2.517 410 K HA 0.130 4.454 4.320 0.007 0.000 0.210 410 K C 0.126 176.675 176.600 -0.085 0.000 1.166 410 K CA 0.178 56.424 56.287 -0.068 0.000 1.030 410 K CB 0.749 33.215 32.500 -0.056 0.000 0.974 410 K HN 0.273 nan 8.250 nan 0.000 0.585 411 N N 1.216 119.846 118.700 -0.117 0.000 2.714 411 N HA -0.184 4.560 4.740 0.007 0.000 0.250 411 N C -0.938 174.477 175.510 -0.157 0.000 1.117 411 N CA 0.843 53.799 53.050 -0.158 0.000 0.719 411 N CB -1.049 37.342 38.487 -0.159 0.000 1.081 411 N HN 0.353 nan 8.380 nan 0.000 0.557 412 A N 0.367 123.110 122.820 -0.128 0.000 2.454 412 A HA 0.401 4.726 4.320 0.007 0.000 0.260 412 A C 0.579 178.088 177.584 -0.125 0.000 1.106 412 A CA -0.382 51.590 52.037 -0.109 0.000 0.780 412 A CB 0.347 19.296 19.000 -0.086 0.000 1.044 412 A HN 0.414 nan 8.150 nan 0.000 0.498 413 L N 3.060 124.215 121.223 -0.113 0.000 2.453 413 L HA 0.291 4.635 4.340 0.007 0.000 0.272 413 L C 1.069 177.890 176.870 -0.081 0.000 1.182 413 L CA 1.488 56.266 54.840 -0.104 0.000 0.858 413 L CB 0.726 42.739 42.059 -0.078 0.000 1.120 413 L HN 0.752 nan 8.230 nan 0.000 0.474 414 T N 3.708 118.212 114.554 -0.082 0.000 3.010 414 T HA 0.242 4.596 4.350 0.007 0.000 0.252 414 T C 0.130 174.806 174.700 -0.039 0.000 0.963 414 T CA -0.006 62.051 62.100 -0.071 0.000 0.952 414 T CB -0.049 68.753 68.868 -0.111 0.000 1.182 414 T HN 0.700 nan 8.240 nan 0.000 0.495 415 N N -0.121 118.563 118.700 -0.026 0.000 2.504 415 N HA 0.340 5.084 4.740 0.007 0.000 0.268 415 N C -1.934 173.589 175.510 0.022 0.000 1.184 415 N CA -0.331 52.727 53.050 0.013 0.000 0.875 415 N CB 1.927 40.442 38.487 0.048 0.000 1.630 415 N HN 0.127 nan 8.380 nan 0.000 0.486 416 C N 1.724 121.040 119.300 0.026 0.000 2.441 416 C HA 0.929 5.393 4.460 0.007 0.000 0.318 416 C C -0.039 174.988 174.990 0.062 0.000 1.222 416 C CA -0.440 58.590 59.018 0.020 0.000 1.474 416 C CB 0.284 28.002 27.740 -0.036 0.000 2.125 416 C HN 0.733 nan 8.230 nan 0.000 0.479 417 A N 2.479 125.353 122.820 0.089 0.000 2.449 417 A HA 0.788 5.113 4.320 0.007 0.000 0.302 417 A C -1.356 176.353 177.584 0.210 0.000 1.048 417 A CA -0.442 51.708 52.037 0.188 0.000 0.708 417 A CB 1.000 20.205 19.000 0.342 0.000 1.274 417 A HN 0.871 nan 8.150 nan 0.000 0.410 418 L N 2.166 123.531 121.223 0.237 0.000 2.260 418 L HA 0.694 5.038 4.340 0.007 0.000 0.289 418 L C -1.485 175.609 176.870 0.374 0.000 1.057 418 L CA -0.137 54.847 54.840 0.240 0.000 0.811 418 L CB 0.076 42.235 42.059 0.168 0.000 1.184 418 L HN 0.636 nan 8.230 nan 0.000 0.429 419 W N 4.902 126.176 121.300 -0.044 0.000 2.478 419 W HA 0.517 5.182 4.660 0.008 0.000 0.318 419 W C -0.384 176.166 176.519 0.052 0.000 1.062 419 W CA -0.931 56.367 57.345 -0.080 0.000 1.210 419 W CB 1.180 30.358 29.460 -0.470 0.000 1.325 419 W HN 0.632 nan 8.180 nan 0.000 0.496 420 D N 1.586 122.130 120.400 0.241 0.000 2.596 420 D HA 0.717 5.361 4.640 0.007 0.000 0.234 420 D C -1.192 175.025 176.300 -0.139 0.000 1.181 420 D CA -1.086 52.830 54.000 -0.140 0.000 0.856 420 D CB 2.728 42.963 40.800 -0.941 0.000 1.498 420 D HN 0.360 nan 8.370 nan 0.000 0.446 421 R N 0.264 120.522 120.500 -0.403 0.000 2.604 421 R HA 0.394 4.738 4.340 0.007 0.000 0.270 421 R C -2.865 173.180 176.300 -0.425 0.000 1.052 421 R CA -1.387 54.382 56.100 -0.552 0.000 0.902 421 R CB 2.685 32.309 30.300 -1.127 0.000 1.233 421 R HN 0.271 nan 8.270 nan 0.000 0.455 422 P HA 0.073 nan 4.420 nan 0.000 0.271 422 P C -0.638 176.590 177.300 -0.121 0.000 1.216 422 P CA -0.044 62.913 63.100 -0.240 0.000 0.776 422 P CB 0.673 32.256 31.700 -0.195 0.000 0.881 423 M N 1.166 120.677 119.600 -0.149 0.000 2.250 423 M HA 0.154 4.638 4.480 0.007 0.000 0.344 423 M C 0.622 176.940 176.300 0.031 0.000 1.150 423 M CA 0.008 55.232 55.300 -0.127 0.000 1.147 423 M CB 0.152 32.426 32.600 -0.544 0.000 1.498 423 M HN 0.265 nan 8.290 nan 0.000 0.461 424 S N 3.915 119.662 115.700 0.079 0.000 2.533 424 S HA 0.399 4.873 4.470 0.007 0.000 0.282 424 S C 0.023 174.711 174.600 0.146 0.000 1.304 424 S CA -0.399 57.864 58.200 0.105 0.000 1.063 424 S CB 0.286 63.550 63.200 0.107 0.000 0.881 424 S HN 0.518 nan 8.310 nan 0.000 0.493 425 R N 1.331 121.890 120.500 0.098 0.000 2.739 425 R HA 0.612 4.957 4.340 0.007 0.000 0.271 425 R C -1.315 174.980 176.300 -0.009 0.000 1.010 425 R CA -0.756 55.380 56.100 0.059 0.000 0.897 425 R CB 1.636 31.975 30.300 0.065 0.000 1.236 425 R HN 0.451 nan 8.270 nan 0.000 0.466 426 S N 1.556 117.212 115.700 -0.074 0.000 2.454 426 S HA 0.546 5.020 4.470 0.007 0.000 0.306 426 S C -0.803 173.549 174.600 -0.413 0.000 1.100 426 S CA -0.726 57.361 58.200 -0.188 0.000 1.087 426 S CB 0.787 63.916 63.200 -0.119 0.000 1.019 426 S HN 0.289 nan 8.310 nan 0.000 0.480 427 L N 4.460 125.396 121.223 -0.479 0.000 2.356 427 L HA 0.504 4.848 4.340 0.007 0.000 0.277 427 L C -0.704 175.770 176.870 -0.661 0.000 0.996 427 L CA -0.754 53.778 54.840 -0.512 0.000 0.822 427 L CB 1.323 43.198 42.059 -0.307 0.000 1.256 427 L HN 0.613 nan 8.230 nan 0.000 0.413 428 H N 5.501 124.451 119.070 -0.200 0.000 2.673 428 H HA 0.516 5.076 4.556 0.007 0.000 0.293 428 H C -0.650 174.440 175.328 -0.396 0.000 1.065 428 H CA -0.338 55.543 56.048 -0.278 0.000 1.236 428 H CB 1.181 30.895 29.762 -0.080 0.000 1.389 428 H HN 0.378 nan 8.280 nan 0.000 0.481 429 L N 1.518 122.358 121.223 -0.638 0.000 2.301 429 L HA 0.522 4.867 4.340 0.007 0.000 0.264 429 L C 0.262 176.896 176.870 -0.394 0.000 1.016 429 L CA -0.804 53.683 54.840 -0.588 0.000 0.821 429 L CB 2.249 43.795 42.059 -0.855 0.000 1.346 429 L HN 0.347 nan 8.230 nan 0.000 0.429 430 T N 0.666 115.196 114.554 -0.041 0.000 2.809 430 T HA 0.593 4.947 4.350 0.007 0.000 0.284 430 T C 0.217 175.093 174.700 0.294 0.000 0.992 430 T CA 0.183 62.367 62.100 0.141 0.000 0.957 430 T CB 1.567 70.476 68.868 0.069 0.000 0.942 430 T HN 1.032 nan 8.240 nan 0.000 0.439 431 G N 2.256 111.288 108.800 0.388 0.000 2.633 431 G HA2 0.151 4.115 3.960 0.007 0.000 0.263 431 G HA3 0.151 4.115 3.960 0.007 0.000 0.263 431 G C 0.874 175.986 174.900 0.352 0.000 1.310 431 G CA 0.446 45.701 45.100 0.257 0.000 0.914 431 G HN 2.042 nan 8.290 nan 0.000 0.569 432 G N -2.266 106.624 108.800 0.149 0.000 2.175 432 G HA2 -0.102 3.862 3.960 0.007 0.000 0.244 432 G HA3 -0.102 3.862 3.960 0.007 0.000 0.244 432 G C 0.299 175.207 174.900 0.013 0.000 0.982 432 G CA 0.771 45.967 45.100 0.159 0.000 0.641 432 G HN 1.521 nan 8.290 nan 0.000 0.527 433 I N 2.285 122.757 120.570 -0.164 0.000 2.362 433 I HA 0.534 4.708 4.170 0.007 0.000 0.289 433 I C 0.378 176.370 176.117 -0.210 0.000 0.994 433 I CA -0.308 60.814 61.300 -0.295 0.000 1.158 433 I CB 1.986 39.640 38.000 -0.576 0.000 1.315 433 I HN 0.220 nan 8.210 nan 0.000 0.451 434 T N 2.461 116.911 114.554 -0.172 0.000 2.841 434 T HA 0.503 4.857 4.350 0.007 0.000 0.283 434 T C -0.611 174.015 174.700 -0.124 0.000 1.000 434 T CA -0.988 61.036 62.100 -0.127 0.000 0.977 434 T CB 2.202 71.019 68.868 -0.084 0.000 0.979 434 T HN 0.461 nan 8.240 nan 0.000 0.446 435 K N 1.818 122.154 120.400 -0.106 0.000 2.559 435 K HA 0.610 4.934 4.320 0.007 0.000 0.249 435 K C -0.257 176.311 176.600 -0.055 0.000 0.958 435 K CA -0.720 55.517 56.287 -0.084 0.000 0.901 435 K CB 1.468 33.906 32.500 -0.103 0.000 1.124 435 K HN 0.935 nan 8.250 nan 0.000 0.437 436 A N 2.796 125.596 122.820 -0.034 0.000 2.520 436 A HA 0.392 4.716 4.320 0.007 0.000 0.245 436 A C 0.297 177.869 177.584 -0.020 0.000 1.072 436 A CA -0.045 51.977 52.037 -0.023 0.000 0.761 436 A CB 0.235 19.228 19.000 -0.013 0.000 1.004 436 A HN 0.840 nan 8.150 nan 0.000 0.499 437 A N 3.313 126.120 122.820 -0.022 0.000 2.561 437 A HA 0.334 4.659 4.320 0.007 0.000 0.234 437 A C 1.015 178.592 177.584 -0.011 0.000 1.055 437 A CA 0.578 52.604 52.037 -0.019 0.000 0.756 437 A CB -0.320 18.669 19.000 -0.019 0.000 0.986 437 A HN 1.400 nan 8.150 nan 0.000 0.505 438 N N -1.218 117.476 118.700 -0.011 0.000 2.850 438 N HA -0.185 4.560 4.740 0.007 0.000 0.249 438 N C -0.191 175.323 175.510 0.006 0.000 1.060 438 N CA 1.812 54.859 53.050 -0.005 0.000 0.825 438 N CB -1.546 36.939 38.487 -0.004 0.000 1.132 438 N HN 1.073 nan 8.380 nan 0.000 0.564 439 Q N -1.577 118.230 119.800 0.011 0.000 2.565 439 Q HA 0.605 4.950 4.340 0.007 0.000 0.294 439 Q C 0.011 176.028 176.000 0.027 0.000 1.005 439 Q CA -0.843 54.984 55.803 0.039 0.000 0.771 439 Q CB 0.759 29.542 28.738 0.074 0.000 1.486 439 Q HN 0.057 nan 8.270 nan 0.000 0.422 440 R N -0.548 119.976 120.500 0.040 0.000 2.393 440 R HA 0.298 4.642 4.340 0.007 0.000 0.244 440 R C -0.453 175.738 176.300 -0.181 0.000 0.920 440 R CA -0.023 56.024 56.100 -0.089 0.000 1.076 440 R CB 0.288 30.494 30.300 -0.158 0.000 1.119 440 R HN 0.432 nan 8.270 nan 0.000 0.524 441 Y N 0.669 120.933 120.300 -0.059 0.000 2.419 441 Y HA 0.553 5.108 4.550 0.007 0.000 0.328 441 Y C 0.272 176.112 175.900 -0.100 0.000 1.162 441 Y CA -1.020 57.040 58.100 -0.067 0.000 1.174 441 Y CB 1.640 40.075 38.460 -0.042 0.000 1.228 441 Y HN -0.052 nan 8.280 nan 0.000 0.473 442 A N 1.242 124.072 122.820 0.018 0.000 2.359 442 A HA 0.566 4.891 4.320 0.007 0.000 0.303 442 A C -0.471 177.047 177.584 -0.110 0.000 1.066 442 A CA -0.713 51.263 52.037 -0.100 0.000 0.730 442 A CB 0.671 19.531 19.000 -0.233 0.000 1.211 442 A HN 0.683 nan 8.150 nan 0.000 0.439 443 T N 1.537 116.019 114.554 -0.120 0.000 2.845 443 T HA 0.631 4.985 4.350 0.007 0.000 0.288 443 T C -0.173 174.373 174.700 -0.257 0.000 0.980 443 T CA -0.482 61.526 62.100 -0.154 0.000 1.071 443 T CB 0.102 68.923 68.868 -0.077 0.000 0.941 443 T HN 0.464 nan 8.240 nan 0.000 0.487 444 I N 4.462 124.757 120.570 -0.458 0.000 2.406 444 I HA 0.280 4.455 4.170 0.007 0.000 0.290 444 I C 0.260 176.187 176.117 -0.317 0.000 0.999 444 I CA -0.837 60.170 61.300 -0.488 0.000 1.124 444 I CB 1.253 38.791 38.000 -0.770 0.000 1.289 444 I HN 0.840 nan 8.210 nan 0.000 0.441 445 H N 6.643 125.653 119.070 -0.099 0.000 2.761 445 H HA 0.494 5.054 4.556 0.007 0.000 0.284 445 H C -1.645 173.768 175.328 0.142 0.000 1.105 445 H CA -0.259 55.806 56.048 0.029 0.000 1.352 445 H CB 1.163 30.957 29.762 0.053 0.000 1.423 445 H HN 0.384 nan 8.280 nan 0.000 0.464 446 V N 8.629 128.474 119.914 -0.114 0.000 2.419 446 V HA 0.200 4.324 4.120 0.007 0.000 0.287 446 V C -2.296 173.798 176.094 0.001 0.000 1.017 446 V CA -1.735 60.586 62.300 0.034 0.000 0.844 446 V CB 1.515 33.514 31.823 0.293 0.000 1.011 446 V HN 0.744 nan 8.190 nan 0.000 0.429 447 P HA 0.105 nan 4.420 nan 0.000 0.264 447 P C 0.109 177.395 177.300 -0.023 0.000 1.193 447 P CA 0.475 63.520 63.100 -0.090 0.000 0.763 447 P CB 0.227 31.904 31.700 -0.039 0.000 0.810 448 D N 1.265 121.614 120.400 -0.085 0.000 2.701 448 D HA -0.216 4.429 4.640 0.007 0.000 0.235 448 D C 1.280 177.494 176.300 -0.143 0.000 1.155 448 D CA 0.798 54.699 54.000 -0.166 0.000 0.649 448 D CB -1.066 39.674 40.800 -0.100 0.000 1.050 448 D HN 0.714 nan 8.370 nan 0.000 0.425 449 H N -0.800 118.266 119.070 -0.007 0.000 2.422 449 H HA -0.039 4.522 4.556 0.007 0.000 0.298 449 H C 1.751 177.054 175.328 -0.041 0.000 1.098 449 H CA 1.507 57.566 56.048 0.019 0.000 1.315 449 H CB -0.264 29.573 29.762 0.125 0.000 1.382 449 H HN 0.382 nan 8.280 nan 0.000 0.523 450 G N 1.193 109.798 108.800 -0.326 0.000 2.198 450 G HA2 -0.279 3.686 3.960 0.007 0.000 0.260 450 G HA3 -0.279 3.686 3.960 0.007 0.000 0.260 450 G C -0.011 174.824 174.900 -0.109 0.000 1.025 450 G CA 0.584 45.601 45.100 -0.139 0.000 0.769 450 G HN 0.432 nan 8.290 nan 0.000 0.507 451 L N -1.075 120.227 121.223 0.131 0.000 2.352 451 L HA 0.861 5.205 4.340 0.007 0.000 0.269 451 L C 0.309 177.167 176.870 -0.020 0.000 1.034 451 L CA -1.300 53.496 54.840 -0.074 0.000 0.806 451 L CB 0.886 42.831 42.059 -0.190 0.000 1.244 451 L HN -0.057 nan 8.230 nan 0.000 0.447 452 F N -0.401 119.580 119.950 0.051 0.000 2.575 452 F HA 0.448 4.979 4.527 0.007 0.000 0.330 452 F C 0.189 175.993 175.800 0.006 0.000 1.056 452 F CA -1.397 56.636 58.000 0.055 0.000 0.964 452 F CB 1.359 40.377 39.000 0.029 0.000 1.258 452 F HN -0.066 nan 8.300 nan 0.000 0.484 453 V N 1.882 121.946 119.914 0.249 0.000 2.584 453 V HA 0.286 4.410 4.120 0.007 0.000 0.303 453 V C 0.962 177.115 176.094 0.099 0.000 1.035 453 V CA 1.712 64.091 62.300 0.132 0.000 1.172 453 V CB -0.074 31.808 31.823 0.098 0.000 0.896 453 V HN 1.075 nan 8.190 nan 0.000 0.486 454 G N 3.598 112.437 108.800 0.065 0.000 2.194 454 G HA2 -0.183 3.781 3.960 0.007 0.000 0.236 454 G HA3 -0.183 3.781 3.960 0.007 0.000 0.236 454 G C -0.023 174.896 174.900 0.032 0.000 0.987 454 G CA 0.044 45.171 45.100 0.045 0.000 0.635 454 G HN 0.664 nan 8.290 nan 0.000 0.520 455 D N -0.181 120.229 120.400 0.017 0.000 2.362 455 D HA 0.459 5.103 4.640 0.007 0.000 0.242 455 D C 0.373 176.680 176.300 0.012 0.000 1.132 455 D CA -0.346 53.651 54.000 -0.005 0.000 0.907 455 D CB 0.595 41.359 40.800 -0.060 0.000 1.195 455 D HN 0.135 nan 8.370 nan 0.000 0.429 456 F N 1.731 121.620 119.950 -0.101 0.000 2.484 456 F HA 0.281 4.812 4.527 0.007 0.000 0.360 456 F C -0.144 175.598 175.800 -0.096 0.000 1.101 456 F CA -0.219 57.737 58.000 -0.072 0.000 1.251 456 F CB 0.488 39.450 39.000 -0.064 0.000 1.132 456 F HN 0.032 nan 8.300 nan 0.000 0.570 457 V N 4.357 123.873 119.914 -0.665 0.000 2.733 457 V HA 0.431 4.556 4.120 0.007 0.000 0.306 457 V C -1.142 174.475 176.094 -0.794 0.000 1.084 457 V CA -1.062 60.900 62.300 -0.564 0.000 0.905 457 V CB 1.415 33.056 31.823 -0.303 0.000 1.010 457 V HN 0.876 nan 8.190 nan 0.000 0.424 458 N N 2.704 121.041 118.700 -0.606 0.000 2.362 458 N HA 0.658 5.403 4.740 0.007 0.000 0.298 458 N C -1.971 173.312 175.510 -0.378 0.000 1.048 458 N CA -0.357 52.498 53.050 -0.326 0.000 0.858 458 N CB 2.092 40.598 38.487 0.031 0.000 1.218 458 N HN 0.629 nan 8.380 nan 0.000 0.488 459 F N 0.529 120.542 119.950 0.105 0.000 2.532 459 F HA 0.427 4.958 4.527 0.007 0.000 0.321 459 F C 0.131 176.048 175.800 0.194 0.000 1.089 459 F CA -0.537 57.584 58.000 0.202 0.000 0.926 459 F CB 2.202 41.277 39.000 0.126 0.000 1.168 459 F HN 0.218 nan 8.300 nan 0.000 0.459 460 S N 1.789 117.768 115.700 0.465 0.000 2.541 460 S HA 0.346 4.820 4.470 0.007 0.000 0.280 460 S C -0.357 174.504 174.600 0.435 0.000 1.112 460 S CA -1.150 57.270 58.200 0.368 0.000 0.925 460 S CB 1.610 64.980 63.200 0.284 0.000 1.067 460 S HN 0.787 nan 8.310 nan 0.000 0.479 461 N N 0.721 119.597 118.700 0.294 0.000 2.741 461 N HA -0.225 4.520 4.740 0.007 0.000 0.250 461 N C 1.246 176.894 175.510 0.230 0.000 1.115 461 N CA 0.914 54.118 53.050 0.257 0.000 0.724 461 N CB -1.497 37.181 38.487 0.319 0.000 1.090 461 N HN 0.798 nan 8.380 nan 0.000 0.558 462 S N 0.208 116.002 115.700 0.156 0.000 2.383 462 S HA 0.029 4.504 4.470 0.007 0.000 0.229 462 S C 1.521 176.036 174.600 -0.141 0.000 1.030 462 S CA 1.830 59.984 58.200 -0.077 0.000 1.002 462 S CB -0.208 62.868 63.200 -0.207 0.000 0.829 462 S HN 1.392 nan 8.310 nan 0.000 0.467 463 A N -0.847 121.936 122.820 -0.062 0.000 2.847 463 A HA -0.088 4.236 4.320 0.007 0.000 0.263 463 A C 0.283 177.797 177.584 -0.116 0.000 1.391 463 A CA 0.823 52.821 52.037 -0.065 0.000 0.866 463 A CB -2.407 16.571 19.000 -0.036 0.000 1.057 463 A HN 1.134 nan 8.150 nan 0.000 0.673 464 V N 1.409 121.224 119.914 -0.166 0.000 2.380 464 V HA 0.396 4.521 4.120 0.007 0.000 0.286 464 V C 0.678 176.672 176.094 -0.167 0.000 1.015 464 V CA -0.049 62.141 62.300 -0.183 0.000 0.834 464 V CB 1.255 32.920 31.823 -0.263 0.000 1.009 464 V HN 0.522 nan 8.190 nan 0.000 0.428 465 T N 3.587 118.070 114.554 -0.120 0.000 2.891 465 T HA 0.326 4.681 4.350 0.007 0.000 0.296 465 T C 1.437 176.060 174.700 -0.129 0.000 1.025 465 T CA 1.306 63.345 62.100 -0.101 0.000 1.149 465 T CB 0.436 69.259 68.868 -0.075 0.000 1.007 465 T HN 1.511 nan 8.240 nan 0.000 0.528 466 G N 1.964 110.692 108.800 -0.119 0.000 2.299 466 G HA2 -0.273 3.692 3.960 0.007 0.000 0.237 466 G HA3 -0.273 3.692 3.960 0.007 0.000 0.237 466 G C 0.295 175.084 174.900 -0.186 0.000 1.027 466 G CA -0.133 44.886 45.100 -0.134 0.000 0.619 466 G HN 0.831 nan 8.290 nan 0.000 0.513 467 V N 1.927 121.684 119.914 -0.262 0.000 2.313 467 V HA 0.648 4.773 4.120 0.007 0.000 0.252 467 V C 0.434 176.361 176.094 -0.278 0.000 1.112 467 V CA 0.827 62.858 62.300 -0.449 0.000 0.984 467 V CB 0.569 31.999 31.823 -0.656 0.000 1.157 467 V HN 0.817 nan 8.190 nan 0.000 0.493 468 S N 3.223 118.860 115.700 -0.106 0.000 2.556 468 S HA 0.691 5.166 4.470 0.007 0.000 0.280 468 S C -0.045 174.631 174.600 0.126 0.000 1.141 468 S CA 0.579 58.821 58.200 0.069 0.000 0.883 468 S CB 1.420 64.635 63.200 0.025 0.000 1.103 468 S HN 1.761 nan 8.310 nan 0.000 0.453 469 G N 3.748 112.654 108.800 0.177 0.000 2.562 469 G HA2 -0.156 3.809 3.960 0.007 0.000 0.250 469 G HA3 -0.156 3.809 3.960 0.007 0.000 0.250 469 G C -1.242 173.719 174.900 0.102 0.000 1.269 469 G CA 0.126 45.303 45.100 0.128 0.000 0.919 469 G HN 0.805 nan 8.290 nan 0.000 0.574 470 D N 1.532 121.961 120.400 0.049 0.000 2.343 470 D HA 0.593 5.237 4.640 0.007 0.000 0.255 470 D C 0.894 177.127 176.300 -0.112 0.000 1.187 470 D CA 0.783 54.734 54.000 -0.081 0.000 0.875 470 D CB 0.718 41.582 40.800 0.106 0.000 1.136 470 D HN 0.522 nan 8.370 nan 0.000 0.469 471 M N 0.417 119.862 119.600 -0.259 0.000 2.716 471 M HA 0.395 4.879 4.480 0.007 0.000 0.278 471 M C -0.114 176.085 176.300 -0.167 0.000 1.281 471 M CA -0.885 54.358 55.300 -0.095 0.000 0.814 471 M CB 2.412 35.068 32.600 0.093 0.000 1.719 471 M HN 0.206 nan 8.290 nan 0.000 0.457 472 T N -1.495 113.037 114.554 -0.037 0.000 2.924 472 T HA 0.695 5.050 4.350 0.007 0.000 0.291 472 T C -0.469 174.259 174.700 0.047 0.000 1.045 472 T CA -0.905 61.183 62.100 -0.020 0.000 1.015 472 T CB 1.368 70.243 68.868 0.012 0.000 1.103 472 T HN 0.387 nan 8.240 nan 0.000 0.496 473 V N 2.342 122.263 119.914 0.011 0.000 2.529 473 V HA 0.420 4.545 4.120 0.007 0.000 0.292 473 V C 1.468 177.633 176.094 0.118 0.000 1.028 473 V CA 0.355 62.686 62.300 0.052 0.000 1.074 473 V CB -0.064 31.689 31.823 -0.117 0.000 0.958 473 V HN 1.210 nan 8.190 nan 0.000 0.481 474 A N 4.574 127.511 122.820 0.195 0.000 1.871 474 A HA 0.246 4.570 4.320 0.007 0.000 0.211 474 A C 1.139 178.830 177.584 0.179 0.000 1.207 474 A CA 1.215 53.374 52.037 0.204 0.000 0.620 474 A CB 0.051 19.244 19.000 0.322 0.000 0.860 474 A HN 0.885 nan 8.150 nan 0.000 0.450 475 T N -3.043 111.626 114.554 0.193 0.000 2.883 475 T HA 0.536 4.890 4.350 0.007 0.000 0.301 475 T C -0.839 173.986 174.700 0.210 0.000 1.158 475 T CA -0.061 62.131 62.100 0.153 0.000 1.007 475 T CB 1.304 70.222 68.868 0.084 0.000 1.186 475 T HN 1.138 nan 8.240 nan 0.000 0.499 476 V N 2.013 122.053 119.914 0.210 0.000 2.384 476 V HA 0.566 4.690 4.120 0.007 0.000 0.287 476 V C 0.816 177.041 176.094 0.218 0.000 1.020 476 V CA -0.661 61.806 62.300 0.279 0.000 0.850 476 V CB 0.255 32.304 31.823 0.376 0.000 0.987 476 V HN 0.982 nan 8.190 nan 0.000 0.436 477 I N 3.643 124.340 120.570 0.212 0.000 2.193 477 I HA 0.115 4.289 4.170 0.007 0.000 0.240 477 I C 0.810 177.018 176.117 0.152 0.000 1.084 477 I CA 1.589 62.978 61.300 0.147 0.000 1.365 477 I CB -0.057 38.013 38.000 0.117 0.000 1.064 477 I HN 0.981 nan 8.210 nan 0.000 0.410 478 D N -1.584 118.933 120.400 0.195 0.000 2.851 478 D HA 0.064 4.708 4.640 0.007 0.000 0.339 478 D C 0.378 176.777 176.300 0.165 0.000 1.347 478 D CA -0.732 53.360 54.000 0.153 0.000 0.888 478 D CB 0.263 41.128 40.800 0.108 0.000 1.431 478 D HN 0.002 nan 8.370 nan 0.000 0.509 479 K N -0.878 119.547 120.400 0.041 0.000 2.281 479 K HA -0.133 4.191 4.320 0.007 0.000 0.203 479 K C -0.070 176.442 176.600 -0.145 0.000 1.046 479 K CA 1.555 57.760 56.287 -0.136 0.000 0.938 479 K CB -0.232 32.170 32.500 -0.162 0.000 0.737 479 K HN 0.239 nan 8.250 nan 0.000 0.458 480 D N -0.145 120.297 120.400 0.069 0.000 2.407 480 D HA 0.108 4.752 4.640 0.007 0.000 0.208 480 D C -0.655 175.752 176.300 0.179 0.000 1.083 480 D CA 0.108 54.156 54.000 0.081 0.000 0.844 480 D CB 0.324 41.125 40.800 0.002 0.000 0.967 480 D HN 0.275 nan 8.370 nan 0.000 0.506 481 N N -0.149 118.750 118.700 0.332 0.000 2.308 481 N HA 0.487 5.231 4.740 0.007 0.000 0.283 481 N C -1.132 174.541 175.510 0.271 0.000 1.105 481 N CA -0.812 52.356 53.050 0.197 0.000 0.840 481 N CB 2.103 40.673 38.487 0.138 0.000 1.633 481 N HN -0.087 nan 8.380 nan 0.000 0.476 482 F N -1.797 118.148 119.950 -0.009 0.000 2.685 482 F HA 0.853 5.384 4.527 0.007 0.000 0.315 482 F C -0.672 175.139 175.800 0.019 0.000 1.126 482 F CA -0.975 57.010 58.000 -0.025 0.000 0.950 482 F CB 1.295 40.176 39.000 -0.198 0.000 1.360 482 F HN 0.361 nan 8.300 nan 0.000 0.469 483 T N 0.049 114.778 114.554 0.292 0.000 2.924 483 T HA 0.790 5.145 4.350 0.007 0.000 0.291 483 T C -0.729 174.170 174.700 0.331 0.000 1.045 483 T CA -0.376 61.838 62.100 0.190 0.000 1.015 483 T CB 1.535 70.509 68.868 0.177 0.000 1.103 483 T HN 1.528 nan 8.240 nan 0.000 0.496 484 V N -0.016 120.016 119.914 0.197 0.000 2.960 484 V HA 0.855 4.979 4.120 0.007 0.000 0.315 484 V C -0.826 175.261 176.094 -0.012 0.000 1.087 484 V CA -1.364 61.019 62.300 0.138 0.000 0.982 484 V CB 1.542 33.407 31.823 0.071 0.000 1.039 484 V HN 0.961 nan 8.190 nan 0.000 0.437 485 L N 3.613 124.747 121.223 -0.149 0.000 2.257 485 L HA 0.716 5.060 4.340 0.007 0.000 0.290 485 L C 0.529 177.218 176.870 -0.301 0.000 1.044 485 L CA 0.574 55.138 54.840 -0.460 0.000 0.810 485 L CB 1.103 42.887 42.059 -0.458 0.000 1.193 485 L HN 1.182 nan 8.230 nan 0.000 0.425 486 T N 2.121 116.487 114.554 -0.314 0.000 2.902 486 T HA 0.552 4.906 4.350 0.007 0.000 0.280 486 T C -1.950 172.641 174.700 -0.181 0.000 0.992 486 T CA -1.660 60.313 62.100 -0.212 0.000 1.015 486 T CB 1.268 70.021 68.868 -0.192 0.000 1.044 486 T HN 0.531 nan 8.240 nan 0.000 0.520 487 P HA 0.148 nan 4.420 nan 0.000 0.245 487 P C -0.005 177.246 177.300 -0.081 0.000 1.212 487 P CA 0.214 63.258 63.100 -0.093 0.000 0.774 487 P CB -0.035 31.626 31.700 -0.066 0.000 0.999 488 N N -0.352 118.294 118.700 -0.090 0.000 2.774 488 N HA 0.327 5.071 4.740 0.007 0.000 0.264 488 N C -1.229 174.239 175.510 -0.069 0.000 1.415 488 N CA -0.794 52.215 53.050 -0.069 0.000 0.815 488 N CB 1.733 40.185 38.487 -0.059 0.000 1.514 488 N HN -0.098 nan 8.380 nan 0.000 0.523 489 Q N -0.178 119.592 119.800 -0.050 0.000 2.379 489 Q HA 0.505 4.849 4.340 0.007 0.000 0.278 489 Q C -1.660 174.319 176.000 -0.036 0.000 1.068 489 Q CA -0.856 54.922 55.803 -0.042 0.000 0.816 489 Q CB 2.193 30.914 28.738 -0.028 0.000 1.387 489 Q HN 0.487 nan 8.270 nan 0.000 0.413 490 Q N 0.377 120.156 119.800 -0.036 0.000 2.359 490 Q HA 0.397 4.741 4.340 0.007 0.000 0.275 490 Q C 0.218 176.202 176.000 -0.025 0.000 1.082 490 Q CA -0.326 55.458 55.803 -0.032 0.000 0.849 490 Q CB 2.025 30.740 28.738 -0.038 0.000 1.377 490 Q HN 0.870 nan 8.270 nan 0.000 0.452 491 T N -3.345 111.196 114.554 -0.022 0.000 3.107 491 T HA 0.238 4.592 4.350 0.007 0.000 0.249 491 T C 0.305 174.994 174.700 -0.018 0.000 1.096 491 T CA 0.275 62.365 62.100 -0.018 0.000 1.012 491 T CB -0.136 68.723 68.868 -0.015 0.000 0.977 491 T HN 0.454 nan 8.240 nan 0.000 0.527 492 S N -0.193 115.494 115.700 -0.023 0.000 2.627 492 S HA 0.602 5.077 4.470 0.007 0.000 0.283 492 S C -1.500 173.082 174.600 -0.029 0.000 1.127 492 S CA -1.055 57.131 58.200 -0.023 0.000 0.863 492 S CB 1.552 64.739 63.200 -0.022 0.000 1.121 492 S HN 0.057 nan 8.310 nan 0.000 0.479 493 D N 0.718 121.101 120.400 -0.029 0.000 2.382 493 D HA 0.437 5.082 4.640 0.007 0.000 0.240 493 D C -0.510 175.763 176.300 -0.044 0.000 1.146 493 D CA 0.224 54.203 54.000 -0.036 0.000 0.897 493 D CB 0.374 41.154 40.800 -0.033 0.000 1.197 493 D HN 0.472 nan 8.370 nan 0.000 0.432 494 L N 2.252 123.441 121.223 -0.057 0.000 2.365 494 L HA 0.426 4.770 4.340 0.007 0.000 0.273 494 L C -0.153 176.668 176.870 -0.082 0.000 1.000 494 L CA -0.777 54.021 54.840 -0.070 0.000 0.819 494 L CB 1.647 43.654 42.059 -0.087 0.000 1.284 494 L HN 0.223 nan 8.230 nan 0.000 0.418 495 N N 2.253 120.906 118.700 -0.077 0.000 2.519 495 N HA 0.097 4.842 4.740 0.007 0.000 0.291 495 N C -0.588 174.876 175.510 -0.077 0.000 1.107 495 N CA -0.433 52.568 53.050 -0.081 0.000 0.904 495 N CB 1.448 39.899 38.487 -0.059 0.000 1.500 495 N HN 0.649 nan 8.380 nan 0.000 0.510 496 N N 2.447 121.082 118.700 -0.107 0.000 2.416 496 N HA 0.036 4.781 4.740 0.007 0.000 0.215 496 N C -0.074 175.426 175.510 -0.018 0.000 1.208 496 N CA -0.314 52.684 53.050 -0.087 0.000 0.834 496 N CB -0.317 38.065 38.487 -0.175 0.000 1.072 496 N HN 0.483 nan 8.380 nan 0.000 0.472 497 A N -0.195 122.617 122.820 -0.012 0.000 2.598 497 A HA 0.390 4.715 4.320 0.007 0.000 0.239 497 A C 1.622 179.224 177.584 0.030 0.000 1.032 497 A CA 0.653 52.699 52.037 0.014 0.000 0.760 497 A CB -0.886 18.113 19.000 -0.003 0.000 0.946 497 A HN 1.003 nan 8.150 nan 0.000 0.512 498 G N 1.132 109.963 108.800 0.052 0.000 2.245 498 G HA2 -0.283 3.681 3.960 0.007 0.000 0.264 498 G HA3 -0.283 3.681 3.960 0.007 0.000 0.264 498 G C 0.402 175.345 174.900 0.072 0.000 0.985 498 G CA 1.097 46.228 45.100 0.053 0.000 0.625 498 G HN 1.122 nan 8.290 nan 0.000 0.536 499 K N 1.525 121.982 120.400 0.095 0.000 2.143 499 K HA 0.493 4.818 4.320 0.007 0.000 0.272 499 K C 0.071 176.802 176.600 0.217 0.000 1.001 499 K CA -0.743 55.617 56.287 0.122 0.000 0.915 499 K CB 0.345 32.901 32.500 0.092 0.000 1.047 499 K HN 0.144 nan 8.250 nan 0.000 0.458 500 N N 5.050 123.844 118.700 0.156 0.000 2.444 500 N HA 0.246 4.990 4.740 0.007 0.000 0.271 500 N C -0.757 174.837 175.510 0.139 0.000 1.069 500 N CA -0.230 52.876 53.050 0.095 0.000 0.965 500 N CB 0.515 39.005 38.487 0.006 0.000 1.092 500 N HN 0.591 nan 8.380 nan 0.000 0.476 501 W N 1.169 122.349 121.300 -0.200 0.000 3.165 501 W HA 0.494 5.159 4.660 0.007 0.000 0.351 501 W C -1.310 174.913 176.519 -0.493 0.000 1.164 501 W CA -0.650 56.566 57.345 -0.214 0.000 1.074 501 W CB 0.166 29.635 29.460 0.014 0.000 1.499 501 W HN 0.360 nan 8.180 nan 0.000 0.600 502 H N 0.636 119.849 119.070 0.238 0.000 2.806 502 H HA 0.686 5.246 4.556 0.007 0.000 0.367 502 H C -0.675 174.691 175.328 0.064 0.000 1.136 502 H CA -0.869 55.158 56.048 -0.035 0.000 1.178 502 H CB 2.815 32.625 29.762 0.079 0.000 1.718 502 H HN 0.369 nan 8.280 nan 0.000 0.540 503 M N 1.113 120.657 119.600 -0.092 0.000 2.591 503 M HA 0.563 5.048 4.480 0.007 0.000 0.306 503 M C -0.291 175.936 176.300 -0.121 0.000 1.190 503 M CA -0.060 55.172 55.300 -0.114 0.000 0.889 503 M CB 2.005 34.536 32.600 -0.115 0.000 1.728 503 M HN 0.980 nan 8.290 nan 0.000 0.458 504 G N 0.941 109.700 108.800 -0.069 0.000 2.240 504 G HA2 -0.103 3.861 3.960 0.007 0.000 0.181 504 G HA3 -0.103 3.861 3.960 0.007 0.000 0.181 504 G C -0.316 174.607 174.900 0.038 0.000 1.028 504 G CA 0.050 45.108 45.100 -0.070 0.000 0.760 504 G HN 0.933 nan 8.290 nan 0.000 0.508 505 T N -2.025 112.583 114.554 0.091 0.000 2.949 505 T HA 0.801 5.156 4.350 0.007 0.000 0.287 505 T C -0.330 174.469 174.700 0.164 0.000 1.034 505 T CA -0.071 62.128 62.100 0.166 0.000 1.018 505 T CB 2.452 71.355 68.868 0.058 0.000 1.135 505 T HN 1.189 nan 8.240 nan 0.000 0.532 506 S N 0.729 116.499 115.700 0.116 0.000 2.706 506 S HA 0.323 4.798 4.470 0.007 0.000 0.270 506 S C 0.056 174.603 174.600 -0.089 0.000 1.163 506 S CA -0.804 57.361 58.200 -0.058 0.000 1.042 506 S CB 0.460 63.377 63.200 -0.472 0.000 1.079 506 S HN 0.739 nan 8.310 nan 0.000 0.474 507 F N 4.766 124.557 119.950 -0.265 0.000 2.091 507 F HA -0.147 4.385 4.527 0.007 0.000 0.299 507 F C 2.065 177.569 175.800 -0.494 0.000 1.103 507 F CA 2.056 59.788 58.000 -0.446 0.000 1.228 507 F CB 0.048 38.720 39.000 -0.547 0.000 0.984 507 F HN 0.803 nan 8.300 nan 0.000 0.477 508 H N -0.445 118.591 119.070 -0.057 0.000 2.512 508 H HA 0.091 4.651 4.556 0.007 0.000 0.279 508 H C 1.348 176.527 175.328 -0.248 0.000 0.999 508 H CA 0.876 56.838 56.048 -0.143 0.000 1.283 508 H CB -0.059 29.699 29.762 -0.007 0.000 1.421 508 H HN 0.353 nan 8.280 nan 0.000 0.554 509 K N 1.026 121.297 120.400 -0.214 0.000 2.372 509 K HA 0.191 4.515 4.320 0.007 0.000 0.200 509 K C 0.059 176.582 176.600 -0.129 0.000 1.022 509 K CA -0.028 56.124 56.287 -0.224 0.000 1.125 509 K CB 0.862 33.076 32.500 -0.478 0.000 0.855 509 K HN -0.074 nan 8.250 nan 0.000 0.524 510 S N 2.593 118.160 115.700 -0.221 0.000 2.472 510 S HA 0.368 4.842 4.470 0.007 0.000 0.303 510 S C -2.450 171.943 174.600 -0.345 0.000 1.099 510 S CA -1.286 56.789 58.200 -0.208 0.000 1.077 510 S CB 1.840 64.906 63.200 -0.223 0.000 1.031 510 S HN 0.070 nan 8.310 nan 0.000 0.487 511 P HA 0.189 nan 4.420 nan 0.000 0.277 511 P C -0.955 176.162 177.300 -0.305 0.000 1.240 511 P CA -0.628 62.324 63.100 -0.246 0.000 0.798 511 P CB 0.504 32.136 31.700 -0.114 0.000 0.979 512 W N 1.554 122.647 121.300 -0.345 0.000 2.193 512 W HA 0.191 4.856 4.660 0.008 0.000 0.338 512 W C 1.494 177.813 176.519 -0.333 0.000 1.310 512 W CA -0.089 57.018 57.345 -0.397 0.000 1.243 512 W CB 0.264 29.360 29.460 -0.607 0.000 1.165 512 W HN 0.245 nan 8.180 nan 0.000 0.566 513 R N 3.412 123.924 120.500 0.021 0.000 2.221 513 R HA 0.243 4.587 4.340 0.007 0.000 0.327 513 R C -0.847 175.385 176.300 -0.114 0.000 1.033 513 R CA -0.495 55.586 56.100 -0.033 0.000 0.887 513 R CB 0.373 30.699 30.300 0.043 0.000 1.057 513 R HN 0.415 nan 8.270 nan 0.000 0.455 514 K N 2.650 122.915 120.400 -0.225 0.000 2.367 514 K HA 0.230 4.554 4.320 0.007 0.000 0.263 514 K C -1.107 175.437 176.600 -0.093 0.000 1.000 514 K CA -0.355 55.742 56.287 -0.316 0.000 0.891 514 K CB 2.226 34.386 32.500 -0.565 0.000 1.117 514 K HN 0.408 nan 8.250 nan 0.000 0.443 515 T N 2.162 116.732 114.554 0.026 0.000 2.770 515 T HA 0.071 4.425 4.350 0.007 0.000 0.297 515 T C -0.778 173.986 174.700 0.107 0.000 0.997 515 T CA -0.592 61.549 62.100 0.068 0.000 0.949 515 T CB 0.545 69.478 68.868 0.108 0.000 0.941 515 T HN 0.395 nan 8.240 nan 0.000 0.457 516 D N 3.138 123.587 120.400 0.082 0.000 2.343 516 D HA 0.126 4.770 4.640 0.007 0.000 0.255 516 D C 0.657 177.014 176.300 0.095 0.000 1.187 516 D CA -0.297 53.760 54.000 0.095 0.000 0.875 516 D CB 0.735 41.578 40.800 0.072 0.000 1.136 516 D HN 0.437 nan 8.370 nan 0.000 0.469 517 L N 3.101 124.383 121.223 0.097 0.000 2.640 517 L HA 0.333 4.677 4.340 0.007 0.000 0.230 517 L C 1.543 178.454 176.870 0.067 0.000 1.123 517 L CA 0.026 54.927 54.840 0.101 0.000 0.900 517 L CB -0.462 41.636 42.059 0.066 0.000 1.146 517 L HN 0.675 nan 8.230 nan 0.000 0.484 518 G N 1.165 109.997 108.800 0.053 0.000 2.645 518 G HA2 -0.303 3.661 3.960 0.007 0.000 0.239 518 G HA3 -0.303 3.661 3.960 0.007 0.000 0.239 518 G C -0.700 174.211 174.900 0.019 0.000 1.331 518 G CA -0.394 44.728 45.100 0.036 0.000 0.890 518 G HN -0.002 nan 8.290 nan 0.000 0.572 519 L N 1.295 122.525 121.223 0.010 0.000 2.375 519 L HA 0.535 4.879 4.340 0.007 0.000 0.276 519 L C 0.993 177.862 176.870 -0.002 0.000 1.162 519 L CA -0.593 54.246 54.840 -0.002 0.000 0.991 519 L CB -0.587 41.469 42.059 -0.004 0.000 1.315 519 L HN 0.426 nan 8.230 nan 0.000 0.431 520 I N 7.523 128.080 120.570 -0.022 0.000 2.845 520 I HA -0.020 4.154 4.170 0.007 0.000 0.290 520 I C -1.458 174.662 176.117 0.005 0.000 1.202 520 I CA -0.959 60.323 61.300 -0.029 0.000 1.406 520 I CB -0.029 37.866 38.000 -0.175 0.000 1.383 520 I HN 0.481 nan 8.210 nan 0.000 0.549 521 P HA -0.005 nan 4.420 nan 0.000 0.269 521 P C 0.003 177.338 177.300 0.058 0.000 1.215 521 P CA 0.019 63.142 63.100 0.038 0.000 0.780 521 P CB 0.740 32.463 31.700 0.037 0.000 0.898 522 S N -1.505 114.231 115.700 0.060 0.000 3.628 522 S HA -0.078 4.396 4.470 0.007 0.000 0.373 522 S C -0.026 174.650 174.600 0.127 0.000 0.968 522 S CA 0.548 58.802 58.200 0.090 0.000 1.215 522 S CB -1.590 61.676 63.200 0.110 0.000 0.912 522 S HN 0.425 nan 8.310 nan 0.000 0.495 523 V N 0.310 120.280 119.914 0.094 0.000 2.709 523 V HA 0.476 4.600 4.120 0.007 0.000 0.308 523 V C 0.915 177.031 176.094 0.038 0.000 1.062 523 V CA -0.454 61.924 62.300 0.131 0.000 0.901 523 V CB 2.326 34.224 31.823 0.125 0.000 1.003 523 V HN 0.468 nan 8.190 nan 0.000 0.425 524 T N 2.324 116.849 114.554 -0.048 0.000 3.071 524 T HA 0.277 4.631 4.350 0.007 0.000 0.239 524 T C 0.231 174.874 174.700 -0.095 0.000 0.997 524 T CA 0.396 62.400 62.100 -0.161 0.000 1.134 524 T CB 0.376 69.021 68.868 -0.373 0.000 0.928 524 T HN 0.650 nan 8.240 nan 0.000 0.453 525 E N 0.461 120.635 120.200 -0.043 0.000 2.331 525 E HA 0.536 4.890 4.350 0.007 0.000 0.275 525 E C -1.678 175.124 176.600 0.336 0.000 0.895 525 E CA -0.516 55.986 56.400 0.169 0.000 0.753 525 E CB 3.130 32.998 29.700 0.280 0.000 1.216 525 E HN -0.075 nan 8.360 nan 0.000 0.434 526 V N 2.210 122.335 119.914 0.353 0.000 2.472 526 V HA 0.432 4.556 4.120 0.007 0.000 0.290 526 V C -0.621 175.746 176.094 0.456 0.000 1.037 526 V CA -0.448 62.115 62.300 0.438 0.000 0.908 526 V CB 1.161 33.196 31.823 0.354 0.000 0.985 526 V HN 0.697 nan 8.190 nan 0.000 0.454 527 H N 2.661 121.942 119.070 0.352 0.000 3.087 527 H HA 0.571 5.132 4.556 0.008 0.000 0.348 527 H C -0.495 175.026 175.328 0.322 0.000 1.092 527 H CA 0.695 56.932 56.048 0.314 0.000 1.285 527 H CB 1.611 31.556 29.762 0.305 0.000 1.875 527 H HN 0.949 nan 8.280 nan 0.000 0.512 528 S N 2.734 118.349 115.700 -0.141 0.000 3.663 528 S HA -0.152 4.322 4.470 0.007 0.000 0.779 528 S C -1.462 173.315 174.600 0.295 0.000 1.254 528 S CA 0.332 58.559 58.200 0.044 0.000 1.164 528 S CB -0.630 62.647 63.200 0.128 0.000 0.532 528 S HN 0.826 nan 8.310 nan 0.000 0.505 529 F N 1.637 121.661 119.950 0.122 0.000 2.605 529 F HA 0.646 5.177 4.527 0.007 0.000 0.320 529 F C -0.534 175.352 175.800 0.144 0.000 1.159 529 F CA 0.368 58.446 58.000 0.129 0.000 0.999 529 F CB 1.445 40.465 39.000 0.033 0.000 1.258 529 F HN 0.955 nan 8.300 nan 0.000 0.464 530 A N 4.142 126.882 122.820 -0.133 0.000 2.363 530 A HA 0.559 4.883 4.320 0.007 0.000 0.296 530 A C -0.632 176.885 177.584 -0.112 0.000 1.237 530 A CA -0.590 51.463 52.037 0.027 0.000 0.773 530 A CB 0.509 19.583 19.000 0.123 0.000 1.153 530 A HN 0.655 nan 8.150 nan 0.000 0.473 531 T N 3.646 118.266 114.554 0.110 0.000 2.867 531 T HA 0.163 4.518 4.350 0.007 0.000 0.297 531 T C 1.365 176.120 174.700 0.090 0.000 0.989 531 T CA 0.009 62.216 62.100 0.178 0.000 1.159 531 T CB 0.259 69.314 68.868 0.313 0.000 0.928 531 T HN 0.447 nan 8.240 nan 0.000 0.538 532 I N 1.819 122.381 120.570 -0.013 0.000 2.729 532 I HA 0.186 4.361 4.170 0.007 0.000 0.256 532 I C 0.998 177.130 176.117 0.026 0.000 1.115 532 I CA 0.713 61.828 61.300 -0.309 0.000 1.446 532 I CB -0.650 37.088 38.000 -0.438 0.000 1.176 532 I HN 0.738 nan 8.210 nan 0.000 0.446 533 D N -1.754 118.711 120.400 0.109 0.000 3.182 533 D HA -0.005 4.639 4.640 0.007 0.000 0.352 533 D C 0.197 176.585 176.300 0.146 0.000 1.421 533 D CA -0.530 53.553 54.000 0.139 0.000 0.912 533 D CB 0.179 41.048 40.800 0.116 0.000 1.461 533 D HN -0.245 nan 8.370 nan 0.000 0.548 534 N N -1.371 117.393 118.700 0.107 0.000 2.512 534 N HA 0.054 4.798 4.740 0.007 0.000 0.183 534 N C 0.332 175.878 175.510 0.060 0.000 1.073 534 N CA 0.853 53.944 53.050 0.069 0.000 0.911 534 N CB -0.020 38.476 38.487 0.015 0.000 0.964 534 N HN 0.297 nan 8.380 nan 0.000 0.447 535 N N -1.382 117.387 118.700 0.114 0.000 2.273 535 N HA 0.228 4.973 4.740 0.007 0.000 0.192 535 N C 0.454 176.089 175.510 0.209 0.000 1.132 535 N CA 0.458 53.602 53.050 0.156 0.000 0.887 535 N CB 1.412 39.952 38.487 0.089 0.000 1.048 535 N HN 0.169 nan 8.380 nan 0.000 0.490 536 G N 0.019 108.909 108.800 0.149 0.000 2.561 536 G HA2 0.552 4.516 3.960 0.007 0.000 0.310 536 G HA3 0.552 4.516 3.960 0.007 0.000 0.310 536 G C -1.950 173.000 174.900 0.083 0.000 1.292 536 G CA -0.727 44.341 45.100 -0.053 0.000 0.811 536 G HN 0.068 nan 8.290 nan 0.000 0.482 537 F N -2.462 117.501 119.950 0.022 0.000 2.773 537 F HA 0.889 5.420 4.527 0.007 0.000 0.314 537 F C -0.357 175.451 175.800 0.013 0.000 1.160 537 F CA -1.345 56.553 58.000 -0.170 0.000 0.920 537 F CB 1.186 39.813 39.000 -0.622 0.000 1.323 537 F HN 1.081 nan 8.300 nan 0.000 0.457 538 A N 1.760 124.639 122.820 0.099 0.000 2.355 538 A HA 0.905 5.230 4.320 0.007 0.000 0.324 538 A C -1.177 176.508 177.584 0.167 0.000 1.117 538 A CA -0.860 51.312 52.037 0.225 0.000 0.785 538 A CB 1.462 20.548 19.000 0.144 0.000 1.254 538 A HN 0.806 nan 8.150 nan 0.000 0.453 539 M N 1.576 121.402 119.600 0.377 0.000 2.393 539 M HA 0.485 4.969 4.480 0.007 0.000 0.316 539 M C 0.600 177.160 176.300 0.434 0.000 1.087 539 M CA -0.337 55.197 55.300 0.390 0.000 0.937 539 M CB 2.337 35.224 32.600 0.478 0.000 1.668 539 M HN 0.862 nan 8.290 nan 0.000 0.438 540 G N 1.413 110.451 108.800 0.397 0.000 2.599 540 G HA2 0.532 4.497 3.960 0.007 0.000 0.264 540 G HA3 0.532 4.497 3.960 0.007 0.000 0.264 540 G C -1.511 173.670 174.900 0.468 0.000 1.200 540 G CA -0.055 45.272 45.100 0.378 0.000 0.896 540 G HN 0.800 nan 8.290 nan 0.000 0.536 541 Y N -1.153 119.267 120.300 0.200 0.000 2.656 541 Y HA 0.683 5.237 4.550 0.007 0.000 0.334 541 Y C -0.884 175.143 175.900 0.213 0.000 1.179 541 Y CA -1.484 56.750 58.100 0.223 0.000 1.050 541 Y CB 0.921 39.485 38.460 0.173 0.000 1.308 541 Y HN 1.041 nan 8.280 nan 0.000 0.456 542 H N 0.154 119.213 119.070 -0.020 0.000 2.980 542 H HA 0.629 5.190 4.556 0.007 0.000 0.367 542 H C -1.729 173.712 175.328 0.189 0.000 1.206 542 H CA -1.055 54.906 56.048 -0.146 0.000 1.126 542 H CB 2.345 32.055 29.762 -0.086 0.000 1.838 542 H HN 0.760 nan 8.280 nan 0.000 0.552 543 Q N 1.755 121.570 119.800 0.024 0.000 2.327 543 Q HA 0.376 4.721 4.340 0.007 0.000 0.270 543 Q C -0.659 175.374 176.000 0.056 0.000 1.022 543 Q CA -0.329 55.475 55.803 0.002 0.000 0.773 543 Q CB 1.710 30.537 28.738 0.148 0.000 1.251 543 Q HN 1.119 nan 8.270 nan 0.000 0.457 544 G N 3.149 111.962 108.800 0.023 0.000 3.829 544 G HA2 0.057 4.022 3.960 0.007 0.000 0.279 544 G HA3 0.057 4.022 3.960 0.007 0.000 0.279 544 G C 0.281 175.228 174.900 0.078 0.000 1.008 544 G CA -0.102 45.079 45.100 0.135 0.000 0.840 544 G HN 0.533 nan 8.290 nan 0.000 0.474 545 D N 0.377 120.799 120.400 0.037 0.000 2.183 545 D HA 0.064 4.708 4.640 0.007 0.000 0.205 545 D C 1.245 177.562 176.300 0.029 0.000 0.962 545 D CA 1.173 55.189 54.000 0.027 0.000 0.849 545 D CB 0.965 41.769 40.800 0.007 0.000 0.978 545 D HN 0.346 nan 8.370 nan 0.000 0.488 546 V N -2.605 117.328 119.914 0.032 0.000 3.049 546 V HA 0.784 4.909 4.120 0.007 0.000 0.309 546 V C -0.532 175.583 176.094 0.035 0.000 1.148 546 V CA -1.549 60.769 62.300 0.029 0.000 0.990 546 V CB 1.542 33.380 31.823 0.024 0.000 1.039 546 V HN 0.006 nan 8.190 nan 0.000 0.430 547 A N 3.279 126.117 122.820 0.029 0.000 2.445 547 A HA 0.741 5.065 4.320 0.007 0.000 0.242 547 A C -1.641 175.961 177.584 0.031 0.000 1.075 547 A CA -0.778 51.276 52.037 0.029 0.000 0.777 547 A CB -0.546 18.467 19.000 0.021 0.000 1.013 547 A HN 0.936 nan 8.150 nan 0.000 0.493 548 P HA 0.325 nan 4.420 nan 0.000 0.284 548 P C -0.381 176.947 177.300 0.048 0.000 1.253 548 P CA -0.696 62.425 63.100 0.035 0.000 0.800 548 P CB 0.723 32.442 31.700 0.032 0.000 0.961 549 R N 1.849 122.377 120.500 0.047 0.000 2.623 549 R HA 0.095 4.440 4.340 0.007 0.000 0.271 549 R C -0.235 176.097 176.300 0.055 0.000 1.043 549 R CA 0.364 56.500 56.100 0.061 0.000 1.083 549 R CB 0.287 30.622 30.300 0.058 0.000 0.974 549 R HN 0.480 nan 8.270 nan 0.000 0.436 550 E N 2.370 122.611 120.200 0.068 0.000 2.238 550 E HA 0.415 4.770 4.350 0.007 0.000 0.267 550 E C -1.405 175.132 176.600 -0.105 0.000 0.887 550 E CA -1.031 55.387 56.400 0.029 0.000 0.769 550 E CB 2.606 32.397 29.700 0.150 0.000 1.187 550 E HN 0.264 nan 8.360 nan 0.000 0.416 551 V N 1.466 121.253 119.914 -0.213 0.000 2.686 551 V HA 0.825 4.949 4.120 0.007 0.000 0.306 551 V C 0.192 176.026 176.094 -0.432 0.000 1.065 551 V CA -0.427 61.657 62.300 -0.361 0.000 0.894 551 V CB 1.557 33.271 31.823 -0.181 0.000 1.004 551 V HN 0.906 nan 8.190 nan 0.000 0.424 552 G N 3.477 111.891 108.800 -0.643 0.000 2.474 552 G HA2 0.699 4.664 3.960 0.007 0.000 0.234 552 G HA3 0.699 4.664 3.960 0.007 0.000 0.234 552 G C -1.870 172.978 174.900 -0.087 0.000 1.204 552 G CA 0.032 44.976 45.100 -0.260 0.000 0.939 552 G HN 1.242 nan 8.290 nan 0.000 0.491 553 L N -2.892 118.422 121.223 0.151 0.000 2.469 553 L HA 0.930 5.275 4.340 0.007 0.000 0.256 553 L C -1.665 175.225 176.870 0.032 0.000 1.006 553 L CA -1.145 53.810 54.840 0.191 0.000 0.832 553 L CB 1.681 43.898 42.059 0.262 0.000 1.421 553 L HN 0.369 nan 8.230 nan 0.000 0.410 554 F N 1.638 121.810 119.950 0.370 0.000 2.402 554 F HA 0.490 5.021 4.527 0.007 0.000 0.355 554 F C -0.596 175.374 175.800 0.283 0.000 1.123 554 F CA -0.352 57.789 58.000 0.235 0.000 1.021 554 F CB 1.361 40.417 39.000 0.093 0.000 1.160 554 F HN 0.474 nan 8.300 nan 0.000 0.451 555 Y N 4.534 124.940 120.300 0.177 0.000 2.350 555 Y HA 0.453 5.008 4.550 0.007 0.000 0.340 555 Y C -1.350 174.498 175.900 -0.086 0.000 1.006 555 Y CA -2.049 56.089 58.100 0.063 0.000 1.166 555 Y CB 0.322 38.780 38.460 -0.004 0.000 1.168 555 Y HN 0.439 nan 8.280 nan 0.000 0.502 556 F N 9.305 128.990 119.950 -0.441 0.000 2.313 556 F HA 0.335 4.866 4.527 0.007 0.000 0.369 556 F C -1.653 173.532 175.800 -1.025 0.000 1.109 556 F CA -1.962 55.616 58.000 -0.704 0.000 1.132 556 F CB 1.146 39.633 39.000 -0.856 0.000 1.291 556 F HN 0.466 nan 8.300 nan 0.000 0.496 557 P HA -0.123 nan 4.420 nan 0.000 0.217 557 P C 0.004 177.121 177.300 -0.306 0.000 1.151 557 P CA 1.314 63.894 63.100 -0.866 0.000 0.828 557 P CB 0.346 31.694 31.700 -0.587 0.000 0.788 558 D N -1.451 118.825 120.400 -0.206 0.000 2.363 558 D HA 0.360 5.005 4.640 0.007 0.000 0.258 558 D C 0.570 176.877 176.300 0.012 0.000 1.259 558 D CA -0.662 53.321 54.000 -0.028 0.000 0.921 558 D CB 0.272 41.082 40.800 0.016 0.000 1.201 558 D HN -0.139 nan 8.370 nan 0.000 0.524 559 A N 2.333 125.128 122.820 -0.042 0.000 2.119 559 A HA 0.044 4.368 4.320 0.007 0.000 0.216 559 A C 1.377 179.015 177.584 0.090 0.000 1.152 559 A CA 0.554 52.535 52.037 -0.093 0.000 0.708 559 A CB -0.436 18.237 19.000 -0.545 0.000 0.805 559 A HN 0.477 nan 8.150 nan 0.000 0.460 560 F N 0.186 120.270 119.950 0.222 0.000 2.094 560 F HA -0.035 4.496 4.527 0.007 0.000 0.291 560 F C 2.180 178.128 175.800 0.247 0.000 1.109 560 F CA 1.925 60.154 58.000 0.381 0.000 1.221 560 F CB -0.538 38.663 39.000 0.334 0.000 1.014 560 F HN 0.226 nan 8.300 nan 0.000 0.473 561 N N -1.093 117.797 118.700 0.317 0.000 2.250 561 N HA -0.040 4.705 4.740 0.007 0.000 0.181 561 N C -0.210 175.351 175.510 0.085 0.000 1.017 561 N CA 1.091 54.238 53.050 0.162 0.000 0.866 561 N CB 0.061 38.624 38.487 0.126 0.000 0.985 561 N HN 0.001 nan 8.380 nan 0.000 0.429 562 S N 0.575 116.325 115.700 0.084 0.000 2.112 562 S HA 0.236 4.710 4.470 0.007 0.000 0.151 562 S C -2.238 172.418 174.600 0.092 0.000 1.723 562 S CA -1.083 57.149 58.200 0.053 0.000 1.263 562 S CB 1.387 64.594 63.200 0.012 0.000 1.194 562 S HN 0.099 nan 8.310 nan 0.000 0.419 563 P HA -0.113 nan 4.420 nan 0.000 0.221 563 P C 1.138 178.629 177.300 0.318 0.000 1.145 563 P CA 1.024 64.249 63.100 0.208 0.000 0.795 563 P CB -0.105 31.699 31.700 0.172 0.000 0.775 564 S N -2.170 113.651 115.700 0.203 0.000 2.524 564 S HA 0.062 4.536 4.470 0.007 0.000 0.216 564 S C 0.747 175.425 174.600 0.129 0.000 0.987 564 S CA -0.293 58.030 58.200 0.206 0.000 0.909 564 S CB -0.693 62.566 63.200 0.099 0.000 0.781 564 S HN 0.084 nan 8.310 nan 0.000 0.521 565 N N 2.354 121.072 118.700 0.030 0.000 2.422 565 N HA 0.533 5.278 4.740 0.007 0.000 0.266 565 N C -0.835 174.483 175.510 -0.320 0.000 1.007 565 N CA -0.549 52.392 53.050 -0.181 0.000 0.941 565 N CB 0.632 39.022 38.487 -0.161 0.000 1.115 565 N HN 0.560 nan 8.380 nan 0.000 0.492 566 Y N -1.554 118.419 120.300 -0.545 0.000 2.588 566 Y HA 0.787 5.342 4.550 0.007 0.000 0.343 566 Y C -1.179 174.503 175.900 -0.363 0.000 1.065 566 Y CA -1.444 56.184 58.100 -0.785 0.000 1.038 566 Y CB 0.917 38.465 38.460 -1.521 0.000 1.297 566 Y HN 0.148 nan 8.280 nan 0.000 0.467 567 V N 2.849 122.718 119.914 -0.074 0.000 2.656 567 V HA 0.536 4.660 4.120 0.007 0.000 0.307 567 V C -0.705 175.531 176.094 0.235 0.000 1.051 567 V CA -0.982 61.336 62.300 0.030 0.000 0.893 567 V CB 1.740 33.565 31.823 0.002 0.000 0.999 567 V HN 0.922 nan 8.190 nan 0.000 0.426 568 R N 5.846 126.483 120.500 0.228 0.000 2.340 568 R HA 0.523 4.867 4.340 0.007 0.000 0.300 568 R C -0.851 175.534 176.300 0.142 0.000 1.069 568 R CA -0.511 55.705 56.100 0.192 0.000 0.984 568 R CB 0.533 30.948 30.300 0.192 0.000 1.003 568 R HN 0.629 nan 8.270 nan 0.000 0.459 569 R N 3.948 124.540 120.500 0.154 0.000 2.538 569 R HA 0.219 4.563 4.340 0.007 0.000 0.292 569 R C -0.918 175.524 176.300 0.236 0.000 1.008 569 R CA -0.786 55.424 56.100 0.183 0.000 0.896 569 R CB 2.298 32.700 30.300 0.169 0.000 1.187 569 R HN 0.687 nan 8.270 nan 0.000 0.440 570 Q N 1.988 121.925 119.800 0.228 0.000 2.257 570 Q HA 0.506 4.850 4.340 0.007 0.000 0.262 570 Q C 0.587 176.700 176.000 0.188 0.000 0.997 570 Q CA -0.807 55.090 55.803 0.156 0.000 0.873 570 Q CB 2.384 31.188 28.738 0.110 0.000 1.312 570 Q HN 0.594 nan 8.270 nan 0.000 0.450 571 I N -1.449 119.034 120.570 -0.145 0.000 3.138 571 I HA 0.385 4.559 4.170 0.007 0.000 0.288 571 I C -2.248 173.715 176.117 -0.256 0.000 1.148 571 I CA -2.287 58.638 61.300 -0.625 0.000 1.315 571 I CB 0.184 37.561 38.000 -1.038 0.000 1.426 571 I HN 0.344 nan 8.210 nan 0.000 0.615 572 P HA -0.002 nan 4.420 nan 0.000 0.266 572 P C 0.534 177.864 177.300 0.049 0.000 1.195 572 P CA -0.012 63.127 63.100 0.066 0.000 0.768 572 P CB 0.831 32.668 31.700 0.229 0.000 0.838 573 S N 2.299 118.017 115.700 0.030 0.000 2.474 573 S HA -0.186 4.288 4.470 0.007 0.000 0.235 573 S C 1.507 176.079 174.600 -0.047 0.000 0.997 573 S CA 1.058 59.257 58.200 -0.002 0.000 0.949 573 S CB -0.823 62.382 63.200 0.008 0.000 0.766 573 S HN 0.652 nan 8.310 nan 0.000 0.517 574 E N -0.372 119.762 120.200 -0.110 0.000 2.274 574 E HA -0.154 4.201 4.350 0.007 0.000 0.194 574 E C 0.941 177.328 176.600 -0.354 0.000 0.996 574 E CA 0.769 57.014 56.400 -0.258 0.000 0.840 574 E CB -0.409 29.070 29.700 -0.369 0.000 0.772 574 E HN 0.759 nan 8.360 nan 0.000 0.491 575 Y N 1.003 121.284 120.300 -0.031 0.000 2.466 575 Y HA 0.217 4.771 4.550 0.007 0.000 0.272 575 Y C 1.643 177.514 175.900 -0.049 0.000 1.169 575 Y CA 0.202 58.290 58.100 -0.019 0.000 1.285 575 Y CB 0.460 38.943 38.460 0.038 0.000 1.078 575 Y HN 0.083 nan 8.280 nan 0.000 0.523 576 E N 0.321 120.543 120.200 0.036 0.000 2.158 576 E HA -0.020 4.334 4.350 0.007 0.000 0.191 576 E C -1.766 174.839 176.600 0.008 0.000 0.982 576 E CA -0.174 56.227 56.400 0.003 0.000 0.823 576 E CB -0.875 28.816 29.700 -0.015 0.000 0.766 576 E HN 0.239 nan 8.360 nan 0.000 0.468 577 P HA -0.031 nan 4.420 nan 0.000 0.268 577 P C -0.789 176.514 177.300 0.005 0.000 1.205 577 P CA 0.563 63.663 63.100 -0.001 0.000 0.771 577 P CB 0.315 32.003 31.700 -0.020 0.000 0.858 578 D N -1.177 119.229 120.400 0.009 0.000 2.837 578 D HA -0.188 4.457 4.640 0.007 0.000 0.230 578 D C -0.071 176.231 176.300 0.004 0.000 1.152 578 D CA 1.372 55.376 54.000 0.006 0.000 0.736 578 D CB -1.455 39.338 40.800 -0.011 0.000 1.084 578 D HN 0.533 nan 8.370 nan 0.000 0.429 579 A N -0.130 122.691 122.820 0.002 0.000 2.401 579 A HA 0.812 5.136 4.320 0.007 0.000 0.310 579 A C 0.214 177.747 177.584 -0.085 0.000 1.075 579 A CA 0.267 52.292 52.037 -0.020 0.000 0.746 579 A CB 2.216 21.222 19.000 0.010 0.000 1.277 579 A HN 0.379 nan 8.150 nan 0.000 0.425 580 S N 0.155 115.745 115.700 -0.183 0.000 2.688 580 S HA 0.629 5.104 4.470 0.007 0.000 0.275 580 S C -0.729 173.660 174.600 -0.351 0.000 1.175 580 S CA -0.450 57.457 58.200 -0.489 0.000 0.818 580 S CB 0.399 63.077 63.200 -0.871 0.000 1.157 580 S HN 0.956 nan 8.310 nan 0.000 0.482 581 E N 1.166 121.094 120.200 -0.454 0.000 2.202 581 E HA -0.129 4.225 4.350 0.007 0.000 0.169 581 E C -2.407 174.086 176.600 -0.178 0.000 1.536 581 E CA 0.510 56.640 56.400 -0.451 0.000 0.664 581 E CB -1.418 27.884 29.700 -0.663 0.000 1.064 581 E HN 0.501 nan 8.360 nan 0.000 0.327 582 P HA 0.030 nan 4.420 nan 0.000 0.276 582 P C -0.068 177.530 177.300 0.497 0.000 1.230 582 P CA -0.265 62.981 63.100 0.244 0.000 0.776 582 P CB 0.826 32.628 31.700 0.170 0.000 0.888 583 C N 5.170 124.773 119.300 0.505 0.000 2.369 583 C HA 0.604 5.069 4.460 0.007 0.000 0.358 583 C C 0.932 176.293 174.990 0.619 0.000 1.274 583 C CA -0.232 59.124 59.018 0.564 0.000 1.935 583 C CB -0.977 27.137 27.740 0.624 0.000 2.431 583 C HN 0.486 nan 8.230 nan 0.000 0.545 584 I N 0.896 121.763 120.570 0.496 0.000 2.545 584 I HA 0.856 5.030 4.170 0.007 0.000 0.292 584 I C -0.723 175.630 176.117 0.392 0.000 1.040 584 I CA -0.656 60.958 61.300 0.524 0.000 1.068 584 I CB 1.606 39.859 38.000 0.421 0.000 1.251 584 I HN 0.402 nan 8.210 nan 0.000 0.424 585 K N 3.326 124.038 120.400 0.520 0.000 2.512 585 K HA 0.552 4.876 4.320 0.007 0.000 0.263 585 K C -2.089 174.840 176.600 0.549 0.000 0.966 585 K CA -0.716 55.780 56.287 0.347 0.000 0.851 585 K CB 2.357 34.889 32.500 0.054 0.000 1.395 585 K HN 0.596 nan 8.250 nan 0.000 0.440 586 Y N 2.003 122.358 120.300 0.092 0.000 2.326 586 Y HA 0.500 5.054 4.550 0.007 0.000 0.331 586 Y C -1.839 174.007 175.900 -0.090 0.000 0.962 586 Y CA -0.573 57.586 58.100 0.097 0.000 1.167 586 Y CB 0.889 39.362 38.460 0.021 0.000 1.148 586 Y HN 0.523 nan 8.280 nan 0.000 0.463 587 Y N 4.014 124.263 120.300 -0.085 0.000 2.386 587 Y HA 0.248 4.802 4.550 0.007 0.000 0.334 587 Y C -0.272 175.513 175.900 -0.191 0.000 1.002 587 Y CA -1.531 56.538 58.100 -0.052 0.000 1.068 587 Y CB 1.578 40.139 38.460 0.169 0.000 1.203 587 Y HN 0.636 nan 8.280 nan 0.000 0.443 588 D N 2.792 123.163 120.400 -0.049 0.000 2.692 588 D HA -0.206 4.438 4.640 0.007 0.000 0.233 588 D C 1.268 177.475 176.300 -0.156 0.000 1.172 588 D CA 1.889 55.856 54.000 -0.054 0.000 0.636 588 D CB -0.969 39.857 40.800 0.045 0.000 1.028 588 D HN 1.169 nan 8.370 nan 0.000 0.419 589 G N -2.195 106.368 108.800 -0.394 0.000 2.179 589 G HA2 -0.292 3.672 3.960 0.007 0.000 0.260 589 G HA3 -0.292 3.672 3.960 0.007 0.000 0.260 589 G C 0.307 175.052 174.900 -0.258 0.000 0.977 589 G CA 0.303 45.242 45.100 -0.268 0.000 0.641 589 G HN 0.640 nan 8.290 nan 0.000 0.533 590 V N 0.737 120.433 119.914 -0.362 0.000 2.495 590 V HA 0.731 4.856 4.120 0.007 0.000 0.298 590 V C 0.134 176.090 176.094 -0.230 0.000 1.031 590 V CA -0.886 61.233 62.300 -0.301 0.000 0.871 590 V CB 1.850 33.435 31.823 -0.396 0.000 0.988 590 V HN 0.407 nan 8.190 nan 0.000 0.432 591 L N 5.760 126.933 121.223 -0.084 0.000 2.272 591 L HA 0.593 4.938 4.340 0.007 0.000 0.289 591 L C -1.122 175.839 176.870 0.152 0.000 1.032 591 L CA 0.128 55.097 54.840 0.214 0.000 0.810 591 L CB 0.700 42.892 42.059 0.222 0.000 1.205 591 L HN 0.564 nan 8.230 nan 0.000 0.422 592 Y N 5.277 125.907 120.300 0.551 0.000 2.387 592 Y HA 0.642 5.197 4.550 0.007 0.000 0.336 592 Y C -0.403 175.868 175.900 0.619 0.000 1.067 592 Y CA -0.585 57.860 58.100 0.575 0.000 1.114 592 Y CB 1.778 40.580 38.460 0.570 0.000 1.208 592 Y HN 0.490 nan 8.280 nan 0.000 0.458 593 L N 4.821 126.400 121.223 0.593 0.000 2.438 593 L HA 0.703 5.048 4.340 0.007 0.000 0.270 593 L C -1.692 175.338 176.870 0.267 0.000 0.972 593 L CA -0.437 54.665 54.840 0.437 0.000 0.831 593 L CB 1.291 43.504 42.059 0.257 0.000 1.273 593 L HN 0.624 nan 8.230 nan 0.000 0.405 594 I N 3.400 124.137 120.570 0.279 0.000 2.465 594 I HA 0.440 4.614 4.170 0.007 0.000 0.291 594 I C 0.089 176.338 176.117 0.221 0.000 1.014 594 I CA -0.521 60.897 61.300 0.197 0.000 1.093 594 I CB 2.370 40.474 38.000 0.173 0.000 1.267 594 I HN 0.598 nan 8.210 nan 0.000 0.431 595 T N 2.338 116.991 114.554 0.165 0.000 2.934 595 T HA 0.430 4.784 4.350 0.007 0.000 0.283 595 T C -0.054 174.694 174.700 0.080 0.000 1.005 595 T CA -0.897 61.268 62.100 0.109 0.000 1.041 595 T CB 1.928 70.842 68.868 0.078 0.000 1.042 595 T HN 0.508 nan 8.240 nan 0.000 0.505 596 R N 0.559 121.070 120.500 0.019 0.000 2.308 596 R HA 0.450 4.794 4.340 0.007 0.000 0.305 596 R C 0.390 176.680 176.300 -0.016 0.000 1.053 596 R CA -0.374 55.720 56.100 -0.010 0.000 0.957 596 R CB 0.505 30.785 30.300 -0.035 0.000 1.022 596 R HN 0.957 nan 8.270 nan 0.000 0.461 597 G N 1.188 109.977 108.800 -0.017 0.000 2.390 597 G HA2 0.093 4.057 3.960 0.007 0.000 0.270 597 G HA3 0.093 4.057 3.960 0.007 0.000 0.270 597 G C 0.976 175.897 174.900 0.035 0.000 1.211 597 G CA -0.373 44.724 45.100 -0.005 0.000 0.842 597 G HN 0.745 nan 8.290 nan 0.000 0.519 598 T N -0.748 113.826 114.554 0.033 0.000 3.065 598 T HA 0.249 4.604 4.350 0.007 0.000 0.252 598 T C 0.923 175.680 174.700 0.095 0.000 1.099 598 T CA 0.086 62.247 62.100 0.103 0.000 1.063 598 T CB 0.181 69.087 68.868 0.063 0.000 0.948 598 T HN 0.450 nan 8.240 nan 0.000 0.506 599 R N -0.584 119.868 120.500 -0.079 0.000 2.584 599 R HA 0.529 4.873 4.340 0.007 0.000 0.276 599 R C 1.033 176.978 176.300 -0.591 0.000 1.046 599 R CA -0.582 55.377 56.100 -0.237 0.000 0.906 599 R CB 1.516 31.744 30.300 -0.119 0.000 1.215 599 R HN 0.106 nan 8.270 nan 0.000 0.449 600 G N 0.867 109.032 108.800 -1.059 0.000 2.559 600 G HA2 -0.207 3.757 3.960 0.007 0.000 0.216 600 G HA3 -0.207 3.757 3.960 0.007 0.000 0.216 600 G C 0.457 175.055 174.900 -0.503 0.000 1.126 600 G CA 0.748 45.061 45.100 -1.312 0.000 0.778 600 G HN 0.715 nan 8.290 nan 0.000 0.543 601 D N -0.992 119.218 120.400 -0.318 0.000 2.501 601 D HA 0.154 4.799 4.640 0.007 0.000 0.226 601 D C 0.674 176.897 176.300 -0.128 0.000 1.198 601 D CA -0.371 53.525 54.000 -0.173 0.000 0.830 601 D CB 0.400 41.129 40.800 -0.119 0.000 1.014 601 D HN 0.055 nan 8.370 nan 0.000 0.496 602 R N -0.072 120.341 120.500 -0.145 0.000 2.808 602 R HA 0.353 4.697 4.340 0.007 0.000 0.272 602 R C -0.739 175.508 176.300 -0.088 0.000 0.995 602 R CA -1.230 54.813 56.100 -0.095 0.000 0.917 602 R CB 1.068 31.322 30.300 -0.076 0.000 1.217 602 R HN -0.030 nan 8.270 nan 0.000 0.471 603 L N 1.942 123.131 121.223 -0.058 0.000 2.667 603 L HA 0.055 4.399 4.340 0.007 0.000 0.278 603 L C 1.279 178.137 176.870 -0.019 0.000 1.217 603 L CA 1.073 55.892 54.840 -0.035 0.000 0.935 603 L CB -0.211 41.832 42.059 -0.027 0.000 1.193 603 L HN 0.887 nan 8.230 nan 0.000 0.493 604 G N 2.317 111.110 108.800 -0.011 0.000 3.075 604 G HA2 0.258 4.222 3.960 0.007 0.000 0.156 604 G HA3 0.258 4.222 3.960 0.007 0.000 0.156 604 G C -0.235 174.700 174.900 0.058 0.000 1.403 604 G CA -0.457 44.640 45.100 -0.005 0.000 1.033 604 G HN 0.546 nan 8.290 nan 0.000 0.589 605 S N 0.103 115.839 115.700 0.060 0.000 2.573 605 S HA 0.360 4.834 4.470 0.007 0.000 0.297 605 S C 0.376 175.156 174.600 0.300 0.000 1.280 605 S CA 0.305 58.605 58.200 0.167 0.000 1.061 605 S CB 0.228 63.486 63.200 0.097 0.000 0.812 605 S HN 0.898 nan 8.310 nan 0.000 0.500 606 S N 3.311 119.087 115.700 0.127 0.000 2.570 606 S HA 0.708 5.182 4.470 0.007 0.000 0.286 606 S C -0.915 173.378 174.600 -0.511 0.000 1.099 606 S CA -1.005 57.029 58.200 -0.277 0.000 0.913 606 S CB 1.273 64.274 63.200 -0.331 0.000 1.085 606 S HN 0.604 nan 8.310 nan 0.000 0.480 607 L N 2.483 123.139 121.223 -0.944 0.000 2.334 607 L HA 0.637 4.982 4.340 0.007 0.000 0.276 607 L C -1.194 175.128 176.870 -0.914 0.000 1.014 607 L CA -0.500 53.886 54.840 -0.757 0.000 0.815 607 L CB 1.311 42.930 42.059 -0.733 0.000 1.268 607 L HN 0.873 nan 8.230 nan 0.000 0.428 608 H N 3.642 122.735 119.070 0.037 0.000 2.851 608 H HA 0.498 5.058 4.556 0.007 0.000 0.372 608 H C -1.137 174.506 175.328 0.526 0.000 1.158 608 H CA -0.873 55.285 56.048 0.184 0.000 1.159 608 H CB 2.177 31.693 29.762 -0.411 0.000 1.757 608 H HN 0.571 nan 8.280 nan 0.000 0.546 609 R N 0.115 120.992 120.500 0.628 0.000 2.744 609 R HA 0.708 5.052 4.340 0.007 0.000 0.279 609 R C -1.073 175.275 176.300 0.080 0.000 0.977 609 R CA -0.981 55.250 56.100 0.218 0.000 0.906 609 R CB 2.121 32.242 30.300 -0.298 0.000 1.197 609 R HN 0.446 nan 8.270 nan 0.000 0.463 610 S N 0.581 116.143 115.700 -0.230 0.000 2.547 610 S HA 0.413 4.887 4.470 0.007 0.000 0.281 610 S C -0.231 174.168 174.600 -0.334 0.000 1.118 610 S CA -0.923 56.994 58.200 -0.472 0.000 0.947 610 S CB 1.553 64.138 63.200 -1.025 0.000 1.053 610 S HN 0.779 nan 8.310 nan 0.000 0.482 611 R N 1.357 121.690 120.500 -0.279 0.000 2.393 611 R HA 0.180 4.524 4.340 0.007 0.000 0.244 611 R C -0.551 175.653 176.300 -0.160 0.000 0.920 611 R CA 0.448 56.435 56.100 -0.188 0.000 1.076 611 R CB 0.096 30.302 30.300 -0.157 0.000 1.119 611 R HN 0.714 nan 8.270 nan 0.000 0.524 612 D N -1.054 119.208 120.400 -0.229 0.000 2.760 612 D HA 0.105 4.749 4.640 0.007 0.000 0.314 612 D C 0.040 176.183 176.300 -0.262 0.000 1.464 612 D CA -0.496 53.383 54.000 -0.201 0.000 0.797 612 D CB -0.329 40.363 40.800 -0.179 0.000 1.149 612 D HN 0.050 nan 8.370 nan 0.000 0.455 613 I N 0.442 120.834 120.570 -0.295 0.000 6.521 613 I HA -0.225 3.949 4.170 0.007 0.000 0.126 613 I C 1.286 177.194 176.117 -0.348 0.000 1.822 613 I CA 0.686 61.776 61.300 -0.350 0.000 2.063 613 I CB -1.564 36.110 38.000 -0.543 0.000 3.493 613 I HN 0.530 nan 8.210 nan 0.000 0.177 614 G N 0.110 108.549 108.800 -0.602 0.000 2.157 614 G HA2 -0.279 3.685 3.960 0.007 0.000 0.239 614 G HA3 -0.279 3.685 3.960 0.007 0.000 0.239 614 G C 0.483 175.114 174.900 -0.448 0.000 0.982 614 G CA 0.455 45.139 45.100 -0.692 0.000 0.650 614 G HN 0.572 nan 8.290 nan 0.000 0.527 615 Q N -0.117 119.460 119.800 -0.372 0.000 2.096 615 Q HA 0.160 4.504 4.340 0.007 0.000 0.197 615 Q C 1.447 177.319 176.000 -0.214 0.000 0.964 615 Q CA 1.570 57.255 55.803 -0.197 0.000 0.838 615 Q CB 0.159 28.821 28.738 -0.128 0.000 0.906 615 Q HN 0.767 nan 8.270 nan 0.000 0.444 616 T N -2.792 111.549 114.554 -0.356 0.000 2.907 616 T HA 0.576 4.930 4.350 0.007 0.000 0.292 616 T C -1.352 173.072 174.700 -0.460 0.000 1.043 616 T CA -0.866 61.083 62.100 -0.252 0.000 1.003 616 T CB 1.308 70.099 68.868 -0.129 0.000 1.084 616 T HN 0.168 nan 8.240 nan 0.000 0.483 617 W N 0.206 121.501 121.300 -0.009 0.000 2.950 617 W HA 0.634 5.299 4.660 0.009 0.000 0.340 617 W C -0.307 176.213 176.519 0.003 0.000 1.139 617 W CA -0.782 56.564 57.345 0.000 0.000 1.188 617 W CB 1.870 31.354 29.460 0.040 0.000 1.426 617 W HN 0.960 nan 8.180 nan 0.000 0.531 618 E N 1.288 121.648 120.200 0.267 0.000 2.171 618 E HA 0.713 5.067 4.350 0.007 0.000 0.271 618 E C -0.983 175.835 176.600 0.364 0.000 0.916 618 E CA -0.348 56.144 56.400 0.153 0.000 0.774 618 E CB 1.359 30.945 29.700 -0.191 0.000 1.128 618 E HN 0.290 nan 8.360 nan 0.000 0.403 619 S N 4.071 119.992 115.700 0.368 0.000 2.570 619 S HA 0.681 5.155 4.470 0.007 0.000 0.286 619 S C -1.231 173.377 174.600 0.012 0.000 1.099 619 S CA -0.944 57.336 58.200 0.134 0.000 0.913 619 S CB 1.302 64.448 63.200 -0.091 0.000 1.085 619 S HN 0.611 nan 8.310 nan 0.000 0.480 620 L N 0.616 121.573 121.223 -0.443 0.000 2.506 620 L HA 0.708 5.053 4.340 0.007 0.000 0.257 620 L C -1.536 174.966 176.870 -0.614 0.000 0.964 620 L CA -0.801 53.753 54.840 -0.477 0.000 0.836 620 L CB 2.138 43.782 42.059 -0.692 0.000 1.384 620 L HN 0.699 nan 8.230 nan 0.000 0.410 621 R N 2.189 122.481 120.500 -0.347 0.000 2.346 621 R HA 0.568 4.913 4.340 0.007 0.000 0.311 621 R C -1.091 175.008 176.300 -0.335 0.000 0.983 621 R CA -0.401 55.547 56.100 -0.253 0.000 0.880 621 R CB 1.018 31.324 30.300 0.010 0.000 1.100 621 R HN 0.581 nan 8.270 nan 0.000 0.453 622 F N 5.998 125.870 119.950 -0.130 0.000 2.538 622 F HA 0.182 4.713 4.527 0.007 0.000 0.371 622 F C -1.316 174.427 175.800 -0.096 0.000 1.087 622 F CA -1.341 56.610 58.000 -0.082 0.000 1.250 622 F CB 0.388 39.395 39.000 0.011 0.000 1.110 622 F HN 0.405 nan 8.300 nan 0.000 0.570 623 P HA -0.007 nan 4.420 nan 0.000 0.269 623 P C -0.648 176.557 177.300 -0.157 0.000 1.209 623 P CA 0.299 63.263 63.100 -0.228 0.000 0.776 623 P CB 0.276 31.727 31.700 -0.416 0.000 0.876 624 H N 0.110 119.191 119.070 0.019 0.000 2.931 624 H HA -0.150 4.410 4.556 0.007 0.000 0.290 624 H C -0.260 175.019 175.328 -0.081 0.000 1.264 624 H CA 0.596 56.629 56.048 -0.025 0.000 1.140 624 H CB -2.724 27.033 29.762 -0.010 0.000 1.343 624 H HN 0.728 nan 8.280 nan 0.000 0.403 625 N N -1.499 117.198 118.700 -0.006 0.000 2.688 625 N HA -0.165 4.580 4.740 0.007 0.000 0.258 625 N C -0.104 175.359 175.510 -0.078 0.000 1.016 625 N CA 0.422 53.436 53.050 -0.060 0.000 0.747 625 N CB -0.505 37.912 38.487 -0.117 0.000 0.895 625 N HN 0.160 nan 8.380 nan 0.000 0.543 626 V N 1.971 121.769 119.914 -0.194 0.000 2.529 626 V HA 0.071 4.196 4.120 0.007 0.000 0.292 626 V C 0.866 176.742 176.094 -0.364 0.000 1.028 626 V CA 0.364 62.344 62.300 -0.533 0.000 1.074 626 V CB 0.231 31.640 31.823 -0.690 0.000 0.958 626 V HN 0.482 nan 8.190 nan 0.000 0.481 627 H N 2.715 121.404 119.070 -0.635 0.000 3.037 627 H HA 0.435 4.995 4.556 0.007 0.000 0.355 627 H C 0.239 175.378 175.328 -0.314 0.000 1.263 627 H CA -0.457 55.326 56.048 -0.442 0.000 1.129 627 H CB 1.032 30.484 29.762 -0.517 0.000 1.861 627 H HN 0.765 nan 8.280 nan 0.000 0.546 628 H N -1.516 117.504 119.070 -0.083 0.000 3.882 628 H HA -0.169 4.390 4.556 0.004 0.000 0.165 628 H C -0.213 175.093 175.328 -0.036 0.000 0.896 628 H CA 1.330 57.349 56.048 -0.048 0.000 1.243 628 H CB -0.736 28.993 29.762 -0.055 0.000 0.958 628 H HN 0.829 nan 8.280 nan 0.000 0.400 629 T N 1.083 115.646 114.554 0.016 0.000 2.863 629 T HA 0.439 4.793 4.350 0.007 0.000 0.285 629 T C 0.342 175.087 174.700 0.075 0.000 1.009 629 T CA 0.031 62.173 62.100 0.070 0.000 0.989 629 T CB 1.492 70.403 68.868 0.072 0.000 1.004 629 T HN 0.316 nan 8.240 nan 0.000 0.455 630 T N 2.551 117.208 114.554 0.173 0.000 2.849 630 T HA 0.550 4.905 4.350 0.007 0.000 0.284 630 T C 0.284 175.129 174.700 0.243 0.000 1.004 630 T CA -0.813 61.414 62.100 0.213 0.000 1.021 630 T CB 0.457 69.521 68.868 0.327 0.000 1.013 630 T HN 0.506 nan 8.240 nan 0.000 0.527 631 L N 2.308 123.695 121.223 0.273 0.000 2.581 631 L HA 0.328 4.672 4.340 0.007 0.000 0.241 631 L C -2.238 174.903 176.870 0.453 0.000 1.265 631 L CA -2.132 52.883 54.840 0.293 0.000 0.954 631 L CB 1.001 43.171 42.059 0.184 0.000 1.269 631 L HN 0.486 nan 8.230 nan 0.000 0.475 632 P HA 0.199 nan 4.420 nan 0.000 0.272 632 P C -0.862 176.783 177.300 0.575 0.000 1.223 632 P CA 0.190 63.602 63.100 0.518 0.000 0.784 632 P CB 0.848 32.824 31.700 0.459 0.000 0.923 633 F N -1.233 118.919 119.950 0.337 0.000 2.713 633 F HA 0.813 5.344 4.527 0.007 0.000 0.311 633 F C -1.905 174.079 175.800 0.306 0.000 1.141 633 F CA -1.363 56.815 58.000 0.296 0.000 0.939 633 F CB 0.863 39.990 39.000 0.212 0.000 1.325 633 F HN 0.495 nan 8.300 nan 0.000 0.453 634 A N 1.660 124.660 122.820 0.300 0.000 2.469 634 A HA 0.724 5.049 4.320 0.007 0.000 0.299 634 A C -1.642 176.004 177.584 0.103 0.000 1.098 634 A CA -1.091 51.058 52.037 0.188 0.000 0.737 634 A CB 1.970 21.108 19.000 0.230 0.000 1.312 634 A HN 0.917 nan 8.150 nan 0.000 0.414 635 K N 1.258 121.474 120.400 -0.307 0.000 2.240 635 K HA 0.593 4.918 4.320 0.007 0.000 0.271 635 K C -1.646 174.745 176.600 -0.348 0.000 1.018 635 K CA -0.261 55.725 56.287 -0.503 0.000 0.874 635 K CB 1.039 32.931 32.500 -1.013 0.000 1.098 635 K HN 0.402 nan 8.250 nan 0.000 0.458 636 V N 4.844 124.663 119.914 -0.159 0.000 2.407 636 V HA 0.416 4.540 4.120 0.007 0.000 0.291 636 V C 0.794 176.842 176.094 -0.077 0.000 1.018 636 V CA 0.129 62.381 62.300 -0.081 0.000 0.842 636 V CB 0.588 32.396 31.823 -0.026 0.000 0.996 636 V HN 1.184 nan 8.190 nan 0.000 0.426 637 G N 4.949 113.712 108.800 -0.061 0.000 2.611 637 G HA2 -0.276 3.689 3.960 0.007 0.000 0.301 637 G HA3 -0.276 3.689 3.960 0.007 0.000 0.301 637 G C 0.412 175.278 174.900 -0.057 0.000 1.233 637 G CA 0.647 45.720 45.100 -0.045 0.000 0.993 637 G HN 0.633 nan 8.290 nan 0.000 0.553 638 D N 1.854 122.229 120.400 -0.042 0.000 2.340 638 D HA 0.187 4.831 4.640 0.007 0.000 0.220 638 D C 0.143 176.414 176.300 -0.048 0.000 1.039 638 D CA 0.531 54.512 54.000 -0.031 0.000 0.866 638 D CB 0.078 40.870 40.800 -0.012 0.000 0.913 638 D HN 0.303 nan 8.370 nan 0.000 0.523 639 D N 0.514 120.870 120.400 -0.073 0.000 2.168 639 D HA 0.212 4.856 4.640 0.007 0.000 0.246 639 D C -0.087 176.147 176.300 -0.111 0.000 1.050 639 D CA -0.553 53.396 54.000 -0.084 0.000 0.857 639 D CB 1.825 42.581 40.800 -0.073 0.000 1.169 639 D HN -0.180 nan 8.370 nan 0.000 0.453 640 L N 2.708 123.860 121.223 -0.119 0.000 2.290 640 L HA 0.366 4.710 4.340 0.007 0.000 0.284 640 L C 0.026 176.869 176.870 -0.044 0.000 1.078 640 L CA -0.176 54.612 54.840 -0.087 0.000 0.815 640 L CB 0.506 42.460 42.059 -0.174 0.000 1.162 640 L HN 0.278 nan 8.230 nan 0.000 0.435 641 I N 5.574 126.173 120.570 0.049 0.000 2.330 641 I HA 0.411 4.586 4.170 0.007 0.000 0.289 641 I C 0.195 176.372 176.117 0.100 0.000 1.001 641 I CA -0.321 60.996 61.300 0.028 0.000 1.193 641 I CB 0.904 38.938 38.000 0.058 0.000 1.345 641 I HN 0.568 nan 8.210 nan 0.000 0.461 642 M N 4.183 123.757 119.600 -0.044 0.000 2.598 642 M HA 0.675 5.160 4.480 0.007 0.000 0.317 642 M C -1.810 174.399 176.300 -0.153 0.000 1.179 642 M CA -0.443 54.908 55.300 0.085 0.000 0.936 642 M CB 2.411 35.094 32.600 0.137 0.000 1.713 642 M HN 0.219 nan 8.290 nan 0.000 0.460 643 F N -0.073 119.880 119.950 0.004 0.000 2.563 643 F HA 0.903 5.434 4.527 0.006 0.000 0.316 643 F C 0.388 176.047 175.800 -0.236 0.000 1.076 643 F CA -0.361 57.448 58.000 -0.319 0.000 0.921 643 F CB 2.664 40.937 39.000 -1.212 0.000 1.209 643 F HN 0.868 nan 8.300 nan 0.000 0.462 644 G N 0.116 108.948 108.800 0.053 0.000 2.718 644 G HA2 0.578 4.542 3.960 0.007 0.000 0.295 644 G HA3 0.578 4.542 3.960 0.007 0.000 0.295 644 G C -1.921 173.148 174.900 0.282 0.000 1.421 644 G CA -0.837 44.409 45.100 0.243 0.000 0.902 644 G HN 0.543 nan 8.290 nan 0.000 0.501 645 S N 0.255 116.192 115.700 0.396 0.000 2.614 645 S HA 0.410 4.884 4.470 0.007 0.000 0.288 645 S C -0.190 174.639 174.600 0.381 0.000 1.137 645 S CA -0.869 57.519 58.200 0.313 0.000 0.992 645 S CB 1.579 64.947 63.200 0.279 0.000 1.026 645 S HN 0.884 nan 8.310 nan 0.000 0.486 646 E N 2.483 122.935 120.200 0.420 0.000 2.418 646 E HA 0.183 4.537 4.350 0.007 0.000 0.261 646 E C 0.411 177.113 176.600 0.169 0.000 1.070 646 E CA -0.562 56.026 56.400 0.314 0.000 0.931 646 E CB 0.591 30.490 29.700 0.332 0.000 0.954 646 E HN 0.319 nan 8.360 nan 0.000 0.439 647 R N 0.871 121.431 120.500 0.100 0.000 2.173 647 R HA 0.215 4.559 4.340 0.007 0.000 0.208 647 R C 0.288 176.521 176.300 -0.112 0.000 1.035 647 R CA 0.846 56.962 56.100 0.026 0.000 1.004 647 R CB -0.180 30.118 30.300 -0.004 0.000 0.917 647 R HN 0.617 nan 8.270 nan 0.000 0.462 648 A N 0.579 123.308 122.820 -0.153 0.000 2.566 648 A HA 0.379 4.703 4.320 0.007 0.000 0.292 648 A C -0.993 176.578 177.584 -0.021 0.000 1.112 648 A CA -0.682 51.206 52.037 -0.248 0.000 0.707 648 A CB 1.464 20.098 19.000 -0.610 0.000 1.302 648 A HN 0.095 nan 8.150 nan 0.000 0.409 649 E N 0.447 120.676 120.200 0.048 0.000 2.414 649 E HA 0.114 4.468 4.350 0.007 0.000 0.263 649 E C -0.228 176.441 176.600 0.116 0.000 1.000 649 E CA 0.750 57.218 56.400 0.113 0.000 0.914 649 E CB -0.144 29.650 29.700 0.156 0.000 0.948 649 E HN 0.652 nan 8.360 nan 0.000 0.444 650 N N 2.945 121.736 118.700 0.151 0.000 2.780 650 N HA -0.203 4.542 4.740 0.007 0.000 0.248 650 N C -0.192 175.404 175.510 0.144 0.000 1.102 650 N CA 0.666 53.809 53.050 0.156 0.000 0.697 650 N CB -0.478 38.086 38.487 0.128 0.000 1.028 650 N HN 0.594 nan 8.380 nan 0.000 0.554 651 E N -0.981 119.313 120.200 0.156 0.000 2.460 651 E HA -0.007 4.347 4.350 0.007 0.000 0.200 651 E C 1.199 177.843 176.600 0.073 0.000 1.011 651 E CA -0.290 56.191 56.400 0.135 0.000 0.912 651 E CB 0.129 29.904 29.700 0.123 0.000 0.953 651 E HN 0.455 nan 8.360 nan 0.000 0.494 652 W N 2.523 123.767 121.300 -0.094 0.000 2.379 652 W HA -0.095 4.569 4.660 0.006 0.000 0.307 652 W C 0.146 176.545 176.519 -0.199 0.000 1.200 652 W CA 1.132 58.329 57.345 -0.246 0.000 1.297 652 W CB 0.176 29.529 29.460 -0.178 0.000 1.140 652 W HN -0.073 nan 8.180 nan 0.000 0.507 653 E N 0.394 120.675 120.200 0.135 0.000 2.408 653 E HA 0.243 4.597 4.350 0.007 0.000 0.259 653 E C 0.195 176.825 176.600 0.051 0.000 1.110 653 E CA 0.106 56.542 56.400 0.059 0.000 0.929 653 E CB 0.547 30.278 29.700 0.051 0.000 0.971 653 E HN 0.083 nan 8.360 nan 0.000 0.438 654 A N 1.589 124.409 122.820 0.000 0.000 2.511 654 A HA 0.418 4.742 4.320 0.007 0.000 0.242 654 A C 1.350 178.909 177.584 -0.042 0.000 1.069 654 A CA 0.478 52.501 52.037 -0.024 0.000 0.763 654 A CB -0.645 18.368 19.000 0.021 0.000 1.001 654 A HN 0.878 nan 8.150 nan 0.000 0.498 655 G N 0.717 109.462 108.800 -0.090 0.000 2.184 655 G HA2 0.103 4.067 3.960 0.007 0.000 0.264 655 G HA3 0.103 4.067 3.960 0.007 0.000 0.264 655 G C 0.581 175.459 174.900 -0.036 0.000 0.975 655 G CA 0.514 45.573 45.100 -0.069 0.000 0.642 655 G HN 2.238 nan 8.290 nan 0.000 0.536 656 A N 1.560 124.379 122.820 -0.003 0.000 2.404 656 A HA 0.651 4.975 4.320 0.007 0.000 0.273 656 A C -1.099 176.516 177.584 0.052 0.000 1.144 656 A CA -0.662 51.401 52.037 0.043 0.000 0.806 656 A CB 0.320 19.373 19.000 0.089 0.000 1.080 656 A HN 0.267 nan 8.150 nan 0.000 0.509 657 P HA 0.146 nan 4.420 nan 0.000 0.271 657 P C -0.636 176.722 177.300 0.095 0.000 1.218 657 P CA -0.341 62.794 63.100 0.059 0.000 0.780 657 P CB 0.481 32.212 31.700 0.051 0.000 0.901 658 D N 1.232 121.704 120.400 0.119 0.000 2.548 658 D HA 0.012 4.656 4.640 0.007 0.000 0.231 658 D C 0.051 176.399 176.300 0.080 0.000 1.142 658 D CA 1.189 55.258 54.000 0.116 0.000 0.866 658 D CB 0.004 40.872 40.800 0.114 0.000 1.190 658 D HN 0.305 nan 8.370 nan 0.000 0.469 659 D N 1.601 122.026 120.400 0.042 0.000 2.517 659 D HA 0.141 4.786 4.640 0.007 0.000 0.263 659 D C -0.547 175.771 176.300 0.030 0.000 1.233 659 D CA -0.579 53.457 54.000 0.061 0.000 0.849 659 D CB 0.232 41.072 40.800 0.067 0.000 1.261 659 D HN 0.053 nan 8.370 nan 0.000 0.516 660 R N 0.931 121.479 120.500 0.080 0.000 2.810 660 R HA 0.424 4.768 4.340 0.007 0.000 0.245 660 R C 0.236 176.711 176.300 0.291 0.000 1.168 660 R CA -0.690 55.445 56.100 0.058 0.000 1.096 660 R CB 0.096 30.285 30.300 -0.184 0.000 1.259 660 R HN 0.454 nan 8.270 nan 0.000 0.518 661 Y N -1.425 119.070 120.300 0.325 0.000 4.798 661 Y HA -0.341 4.215 4.550 0.009 0.000 0.237 661 Y C 0.164 176.159 175.900 0.158 0.000 1.017 661 Y CA 1.462 59.680 58.100 0.196 0.000 2.010 661 Y CB -1.395 37.140 38.460 0.126 0.000 1.582 661 Y HN 0.540 nan 8.280 nan 0.000 0.621 662 K N -0.267 120.323 120.400 0.318 0.000 2.525 662 K HA 0.881 5.206 4.320 0.007 0.000 0.254 662 K C -0.468 176.250 176.600 0.196 0.000 0.934 662 K CA -0.510 55.904 56.287 0.211 0.000 0.802 662 K CB 2.125 34.737 32.500 0.186 0.000 1.295 662 K HN 0.133 nan 8.250 nan 0.000 0.433 663 A N 1.933 124.803 122.820 0.084 0.000 2.540 663 A HA 0.393 4.718 4.320 0.007 0.000 0.239 663 A C -0.003 177.667 177.584 0.144 0.000 1.061 663 A CA 0.578 52.644 52.037 0.049 0.000 0.758 663 A CB -0.339 18.720 19.000 0.097 0.000 0.991 663 A HN 0.974 nan 8.150 nan 0.000 0.502 664 S N 0.878 116.647 115.700 0.114 0.000 2.672 664 S HA 0.644 5.119 4.470 0.007 0.000 0.271 664 S C -1.207 173.359 174.600 -0.057 0.000 1.171 664 S CA -0.656 57.632 58.200 0.146 0.000 0.817 664 S CB 0.679 64.013 63.200 0.222 0.000 1.150 664 S HN 0.553 nan 8.310 nan 0.000 0.478 665 Y N 1.814 122.168 120.300 0.090 0.000 2.919 665 Y HA 0.436 4.990 4.550 0.006 0.000 0.341 665 Y C -2.505 173.412 175.900 0.030 0.000 1.045 665 Y CA -2.070 56.053 58.100 0.038 0.000 1.218 665 Y CB 1.162 39.634 38.460 0.020 0.000 1.137 665 Y HN 0.412 nan 8.280 nan 0.000 0.577 666 P HA 0.040 nan 4.420 nan 0.000 0.265 666 P C -0.332 176.980 177.300 0.020 0.000 1.193 666 P CA 0.039 63.187 63.100 0.080 0.000 0.765 666 P CB 0.925 32.666 31.700 0.069 0.000 0.823 667 R N 1.266 121.731 120.500 -0.058 0.000 2.441 667 R HA 0.438 4.782 4.340 0.007 0.000 0.284 667 R C 0.346 176.337 176.300 -0.515 0.000 1.070 667 R CA -0.067 55.819 56.100 -0.357 0.000 1.047 667 R CB 0.465 30.412 30.300 -0.588 0.000 1.016 667 R HN 0.407 nan 8.270 nan 0.000 0.477 668 T N 3.237 117.424 114.554 -0.610 0.000 2.829 668 T HA 0.524 4.878 4.350 0.007 0.000 0.280 668 T C -0.988 173.256 174.700 -0.760 0.000 0.999 668 T CA -0.379 61.424 62.100 -0.496 0.000 0.983 668 T CB 0.547 69.274 68.868 -0.235 0.000 0.968 668 T HN 0.226 nan 8.240 nan 0.000 0.446 669 F N 2.334 122.089 119.950 -0.325 0.000 2.577 669 F HA 0.652 5.183 4.527 0.006 0.000 0.318 669 F C -0.301 175.451 175.800 -0.080 0.000 1.065 669 F CA -1.206 56.618 58.000 -0.292 0.000 0.929 669 F CB 1.483 40.124 39.000 -0.599 0.000 1.237 669 F HN 0.609 nan 8.300 nan 0.000 0.468 670 Y N 0.748 121.017 120.300 -0.051 0.000 2.602 670 Y HA 0.950 5.504 4.550 0.007 0.000 0.342 670 Y C -1.399 174.333 175.900 -0.280 0.000 1.029 670 Y CA -1.754 56.128 58.100 -0.363 0.000 1.080 670 Y CB 1.562 39.459 38.460 -0.939 0.000 1.284 670 Y HN 0.829 nan 8.280 nan 0.000 0.485 671 A N 2.769 125.130 122.820 -0.765 0.000 2.594 671 A HA 0.780 5.104 4.320 0.007 0.000 0.295 671 A C -1.595 175.609 177.584 -0.632 0.000 1.071 671 A CA -1.144 50.287 52.037 -1.011 0.000 0.685 671 A CB 1.749 19.803 19.000 -1.576 0.000 1.285 671 A HN 0.848 nan 8.150 nan 0.000 0.405 672 R N 0.200 120.372 120.500 -0.547 0.000 2.514 672 R HA 0.724 5.068 4.340 0.007 0.000 0.301 672 R C -1.643 174.473 176.300 -0.307 0.000 0.962 672 R CA -0.554 55.363 56.100 -0.305 0.000 0.882 672 R CB 1.813 31.986 30.300 -0.212 0.000 1.143 672 R HN 0.673 nan 8.270 nan 0.000 0.452 673 L N 3.060 124.149 121.223 -0.224 0.000 2.439 673 L HA 0.379 4.723 4.340 0.007 0.000 0.270 673 L C -1.158 175.631 176.870 -0.135 0.000 0.972 673 L CA -0.696 54.021 54.840 -0.205 0.000 0.836 673 L CB 1.855 43.784 42.059 -0.217 0.000 1.255 673 L HN 0.573 nan 8.230 nan 0.000 0.404 674 N N 3.477 122.114 118.700 -0.104 0.000 2.458 674 N HA 0.078 4.822 4.740 0.007 0.000 0.270 674 N C 0.924 176.458 175.510 0.040 0.000 1.102 674 N CA 0.038 53.063 53.050 -0.041 0.000 0.967 674 N CB 2.006 40.468 38.487 -0.041 0.000 1.078 674 N HN 0.640 nan 8.380 nan 0.000 0.471 675 V N 1.996 121.969 119.914 0.098 0.000 2.667 675 V HA -0.077 4.047 4.120 0.007 0.000 0.252 675 V C 1.330 177.578 176.094 0.257 0.000 1.065 675 V CA 1.464 63.927 62.300 0.272 0.000 1.083 675 V CB -0.658 31.325 31.823 0.265 0.000 0.692 675 V HN 0.608 nan 8.190 nan 0.000 0.468 676 N N 1.397 120.177 118.700 0.134 0.000 2.270 676 N HA -0.068 4.677 4.740 0.007 0.000 0.181 676 N C 1.395 176.975 175.510 0.117 0.000 1.016 676 N CA 1.276 54.386 53.050 0.100 0.000 0.870 676 N CB -0.245 38.272 38.487 0.049 0.000 0.979 676 N HN 0.495 nan 8.380 nan 0.000 0.431 677 N N 0.285 119.046 118.700 0.103 0.000 2.446 677 N HA -0.111 4.634 4.740 0.007 0.000 0.179 677 N C -0.206 175.388 175.510 0.139 0.000 1.054 677 N CA 0.132 53.228 53.050 0.077 0.000 0.905 677 N CB -0.227 38.265 38.487 0.008 0.000 0.973 677 N HN 0.326 nan 8.380 nan 0.000 0.448 678 W N 2.427 123.694 121.300 -0.054 0.000 7.512 678 W HA -0.261 4.404 4.660 0.008 0.000 0.420 678 W C -0.663 175.801 176.519 -0.092 0.000 1.669 678 W CA 0.697 58.002 57.345 -0.067 0.000 1.211 678 W CB -1.164 28.271 29.460 -0.041 0.000 2.898 678 W HN 0.099 nan 8.180 nan 0.000 1.644 679 N N 1.163 119.688 118.700 -0.292 0.000 2.537 679 N HA 0.358 5.102 4.740 0.007 0.000 0.281 679 N C -0.056 175.273 175.510 -0.300 0.000 1.097 679 N CA 0.439 53.316 53.050 -0.290 0.000 0.964 679 N CB 1.425 39.834 38.487 -0.130 0.000 1.588 679 N HN 0.010 nan 8.380 nan 0.000 0.511 680 A N 2.471 125.078 122.820 -0.355 0.000 2.308 680 A HA 0.131 4.456 4.320 0.007 0.000 0.217 680 A C 1.008 178.501 177.584 -0.152 0.000 1.216 680 A CA 0.174 52.042 52.037 -0.280 0.000 0.864 680 A CB 0.073 18.822 19.000 -0.418 0.000 0.902 680 A HN 0.695 nan 8.150 nan 0.000 0.499 681 D N 1.037 121.351 120.400 -0.143 0.000 2.178 681 D HA -0.109 4.535 4.640 0.007 0.000 0.201 681 D C 0.046 176.313 176.300 -0.055 0.000 0.980 681 D CA 1.146 55.089 54.000 -0.095 0.000 0.842 681 D CB -0.001 40.748 40.800 -0.084 0.000 0.948 681 D HN 0.386 nan 8.370 nan 0.000 0.472 682 D N 0.071 120.429 120.400 -0.071 0.000 2.559 682 D HA 0.129 4.773 4.640 0.007 0.000 0.234 682 D C 0.674 176.908 176.300 -0.112 0.000 1.226 682 D CA -0.370 53.598 54.000 -0.054 0.000 0.830 682 D CB 0.390 41.156 40.800 -0.056 0.000 1.028 682 D HN 0.237 nan 8.370 nan 0.000 0.492 683 I N 1.315 121.802 120.570 -0.139 0.000 2.752 683 I HA -0.104 4.070 4.170 0.007 0.000 0.289 683 I C -0.002 175.899 176.117 -0.360 0.000 1.197 683 I CA 0.467 61.586 61.300 -0.301 0.000 1.432 683 I CB 0.520 38.332 38.000 -0.314 0.000 1.359 683 I HN -0.165 nan 8.210 nan 0.000 0.571 684 E N 6.923 126.786 120.200 -0.562 0.000 2.063 684 E HA 0.177 4.531 4.350 0.007 0.000 0.265 684 E C -1.646 174.555 176.600 -0.666 0.000 0.919 684 E CA -0.425 55.592 56.400 -0.638 0.000 0.756 684 E CB 0.724 29.843 29.700 -0.968 0.000 1.120 684 E HN 0.447 nan 8.360 nan 0.000 0.414 685 W N 3.032 124.175 121.300 -0.262 0.000 2.345 685 W HA 0.270 4.936 4.660 0.011 0.000 0.308 685 W C -0.380 176.011 176.519 -0.213 0.000 1.273 685 W CA -0.593 56.550 57.345 -0.337 0.000 1.243 685 W CB 0.765 29.908 29.460 -0.529 0.000 1.260 685 W HN 0.182 nan 8.180 nan 0.000 0.509 686 V N 4.451 124.338 119.914 -0.045 0.000 2.328 686 V HA 0.089 4.214 4.120 0.007 0.000 0.278 686 V C 0.034 176.167 176.094 0.065 0.000 1.021 686 V CA -1.132 61.158 62.300 -0.017 0.000 0.838 686 V CB 0.945 32.680 31.823 -0.147 0.000 0.999 686 V HN 0.440 nan 8.190 nan 0.000 0.447 687 N N 4.622 123.267 118.700 -0.090 0.000 2.416 687 N HA 0.206 4.951 4.740 0.007 0.000 0.265 687 N C 0.647 176.045 175.510 -0.188 0.000 1.195 687 N CA -0.050 52.719 53.050 -0.468 0.000 0.943 687 N CB 0.585 38.656 38.487 -0.695 0.000 1.115 687 N HN 0.713 nan 8.380 nan 0.000 0.481 688 I N -0.364 120.088 120.570 -0.196 0.000 4.139 688 I HA 0.353 4.527 4.170 0.007 0.000 0.320 688 I C 0.500 176.568 176.117 -0.082 0.000 1.290 688 I CA -0.238 61.002 61.300 -0.100 0.000 1.253 688 I CB 0.407 38.278 38.000 -0.215 0.000 1.122 688 I HN 0.385 nan 8.210 nan 0.000 0.421 689 T N 0.281 114.757 114.554 -0.130 0.000 2.942 689 T HA 0.376 4.730 4.350 0.007 0.000 0.327 689 T C -2.077 172.589 174.700 -0.057 0.000 1.360 689 T CA -0.527 61.563 62.100 -0.015 0.000 1.055 689 T CB 2.029 70.964 68.868 0.112 0.000 1.261 689 T HN 0.068 nan 8.240 nan 0.000 0.485 690 D N 2.487 122.883 120.400 -0.006 0.000 2.248 690 D HA 0.693 5.338 4.640 0.007 0.000 0.246 690 D C -0.245 176.067 176.300 0.020 0.000 1.027 690 D CA -0.263 53.743 54.000 0.010 0.000 0.853 690 D CB 1.971 42.805 40.800 0.056 0.000 1.243 690 D HN 0.350 nan 8.370 nan 0.000 0.462 691 Q N 0.260 120.060 119.800 0.001 0.000 2.699 691 Q HA 0.677 5.022 4.340 0.007 0.000 0.240 691 Q C -0.536 175.379 176.000 -0.141 0.000 1.033 691 Q CA -0.654 55.076 55.803 -0.122 0.000 0.938 691 Q CB 1.530 30.198 28.738 -0.118 0.000 1.312 691 Q HN 0.402 nan 8.270 nan 0.000 0.507 692 I N 0.653 121.046 120.570 -0.295 0.000 2.474 692 I HA 0.331 4.506 4.170 0.007 0.000 0.294 692 I C -1.257 174.692 176.117 -0.280 0.000 1.005 692 I CA -1.052 59.961 61.300 -0.479 0.000 1.113 692 I CB 1.485 39.022 38.000 -0.771 0.000 1.289 692 I HN 0.511 nan 8.210 nan 0.000 0.436 693 Y N 5.696 125.795 120.300 -0.334 0.000 2.331 693 Y HA 0.224 4.777 4.550 0.006 0.000 0.338 693 Y C 1.086 176.850 175.900 -0.227 0.000 0.976 693 Y CA -0.189 57.783 58.100 -0.213 0.000 1.137 693 Y CB 1.321 39.715 38.460 -0.111 0.000 1.172 693 Y HN 0.596 nan 8.280 nan 0.000 0.478 694 Q N 4.447 123.802 119.800 -0.741 0.000 2.079 694 Q HA 0.013 4.357 4.340 0.007 0.000 0.200 694 Q C 1.468 177.082 176.000 -0.644 0.000 0.974 694 Q CA 2.048 57.498 55.803 -0.588 0.000 0.840 694 Q CB -0.247 28.236 28.738 -0.424 0.000 0.898 694 Q HN 1.274 nan 8.270 nan 0.000 0.430 695 G N -1.564 106.566 108.800 -1.116 0.000 2.175 695 G HA2 -0.271 3.693 3.960 0.007 0.000 0.244 695 G HA3 -0.271 3.693 3.960 0.007 0.000 0.244 695 G C 0.871 175.668 174.900 -0.172 0.000 0.982 695 G CA 0.698 45.432 45.100 -0.610 0.000 0.641 695 G HN 0.579 nan 8.290 nan 0.000 0.527 696 G N 0.255 108.956 108.800 -0.165 0.000 2.443 696 G HA2 0.371 4.336 3.960 0.007 0.000 0.219 696 G HA3 0.371 4.336 3.960 0.007 0.000 0.219 696 G C 0.890 175.892 174.900 0.170 0.000 1.131 696 G CA 1.310 46.423 45.100 0.022 0.000 0.775 696 G HN 1.516 nan 8.290 nan 0.000 0.547 697 I N -4.437 116.169 120.570 0.059 0.000 3.042 697 I HA 0.552 4.727 4.170 0.007 0.000 0.310 697 I C 1.163 177.221 176.117 -0.099 0.000 1.117 697 I CA -1.144 60.222 61.300 0.110 0.000 1.003 697 I CB 1.847 39.885 38.000 0.063 0.000 1.228 697 I HN -0.196 nan 8.210 nan 0.000 0.443 698 V N 2.786 122.542 119.914 -0.263 0.000 2.332 698 V HA -0.195 3.930 4.120 0.007 0.000 0.248 698 V C 1.113 177.125 176.094 -0.137 0.000 1.055 698 V CA 1.875 63.913 62.300 -0.436 0.000 1.038 698 V CB -0.897 30.735 31.823 -0.319 0.000 0.651 698 V HN 0.929 nan 8.190 nan 0.000 0.450 699 N N 0.190 118.812 118.700 -0.130 0.000 2.381 699 N HA 0.220 4.964 4.740 0.007 0.000 0.241 699 N C -0.468 175.114 175.510 0.121 0.000 1.279 699 N CA 0.621 53.533 53.050 -0.231 0.000 0.896 699 N CB 0.613 38.619 38.487 -0.802 0.000 1.118 699 N HN 0.300 nan 8.380 nan 0.000 0.438 700 S N -1.089 114.736 115.700 0.208 0.000 2.557 700 S HA 0.551 5.026 4.470 0.007 0.000 0.291 700 S C 0.622 175.460 174.600 0.398 0.000 1.116 700 S CA -0.831 57.577 58.200 0.345 0.000 0.992 700 S CB 1.111 64.412 63.200 0.168 0.000 1.028 700 S HN 0.660 nan 8.310 nan 0.000 0.484 701 G N 2.272 111.219 108.800 0.247 0.000 3.042 701 G HA2 0.201 4.165 3.960 0.007 0.000 0.212 701 G HA3 0.201 4.165 3.960 0.007 0.000 0.212 701 G C 0.586 175.436 174.900 -0.083 0.000 1.166 701 G CA 0.498 45.593 45.100 -0.010 0.000 0.767 701 G HN 0.965 nan 8.290 nan 0.000 0.546 702 V N -0.126 119.805 119.914 0.030 0.000 2.715 702 V HA 0.632 4.756 4.120 0.007 0.000 0.299 702 V C 1.011 177.188 176.094 0.140 0.000 1.054 702 V CA 0.722 63.057 62.300 0.058 0.000 1.077 702 V CB 0.683 32.553 31.823 0.078 0.000 0.972 702 V HN 1.324 nan 8.190 nan 0.000 0.484 703 G N 3.452 112.402 108.800 0.251 0.000 2.509 703 G HA2 -0.066 3.898 3.960 0.007 0.000 0.256 703 G HA3 -0.066 3.898 3.960 0.007 0.000 0.256 703 G C 0.597 175.659 174.900 0.270 0.000 1.152 703 G CA 0.739 46.044 45.100 0.342 0.000 0.951 703 G HN 2.563 nan 8.290 nan 0.000 0.559 704 V N -1.916 118.175 119.914 0.295 0.000 5.620 704 V HA 0.160 4.284 4.120 0.007 0.000 0.192 704 V C 1.108 177.402 176.094 0.333 0.000 0.714 704 V CA 1.969 64.461 62.300 0.321 0.000 0.544 704 V CB -1.836 30.182 31.823 0.325 0.000 0.189 704 V HN 2.526 nan 8.190 nan 0.000 0.450 705 G N 0.771 109.812 108.800 0.402 0.000 2.890 705 G HA2 0.778 4.742 3.960 0.007 0.000 0.189 705 G HA3 0.778 4.742 3.960 0.007 0.000 0.189 705 G C -0.266 174.874 174.900 0.400 0.000 1.342 705 G CA -0.278 45.020 45.100 0.329 0.000 1.026 705 G HN 1.729 nan 8.290 nan 0.000 0.579 706 S N -2.548 113.381 115.700 0.382 0.000 2.552 706 S HA 0.554 5.029 4.470 0.007 0.000 0.272 706 S C -1.696 173.123 174.600 0.365 0.000 1.150 706 S CA -0.466 57.940 58.200 0.344 0.000 0.849 706 S CB 1.701 65.052 63.200 0.251 0.000 1.113 706 S HN 0.716 nan 8.310 nan 0.000 0.458 707 V N 3.392 123.504 119.914 0.329 0.000 2.789 707 V HA 0.850 4.974 4.120 0.007 0.000 0.311 707 V C -0.381 175.878 176.094 0.275 0.000 1.073 707 V CA -0.478 62.014 62.300 0.319 0.000 0.921 707 V CB 1.682 33.726 31.823 0.369 0.000 1.009 707 V HN 1.000 nan 8.190 nan 0.000 0.426 708 V N 2.214 122.309 119.914 0.301 0.000 3.130 708 V HA 0.852 4.976 4.120 0.007 0.000 0.310 708 V C -0.979 175.332 176.094 0.362 0.000 1.158 708 V CA -0.844 61.631 62.300 0.291 0.000 1.029 708 V CB 2.141 34.098 31.823 0.224 0.000 1.057 708 V HN 0.485 nan 8.190 nan 0.000 0.436 709 V N 1.951 122.055 119.914 0.316 0.000 2.459 709 V HA 0.627 4.751 4.120 0.007 0.000 0.295 709 V C -0.156 176.119 176.094 0.302 0.000 1.029 709 V CA -0.509 61.983 62.300 0.320 0.000 0.874 709 V CB 1.591 33.560 31.823 0.244 0.000 0.985 709 V HN 1.021 nan 8.190 nan 0.000 0.438 710 K N 3.797 124.423 120.400 0.378 0.000 2.471 710 K HA 0.352 4.676 4.320 0.007 0.000 0.252 710 K C -0.338 176.425 176.600 0.272 0.000 0.938 710 K CA -0.419 56.031 56.287 0.272 0.000 0.796 710 K CB 1.494 34.109 32.500 0.192 0.000 1.161 710 K HN 0.859 nan 8.250 nan 0.000 0.425 711 D N 1.744 122.249 120.400 0.175 0.000 3.899 711 D HA -0.319 4.325 4.640 0.007 0.000 0.146 711 D C 0.424 176.787 176.300 0.105 0.000 0.820 711 D CA 1.942 56.025 54.000 0.137 0.000 1.056 711 D CB -0.638 40.250 40.800 0.147 0.000 0.474 711 D HN 0.887 nan 8.370 nan 0.000 0.457 712 N N 0.830 119.569 118.700 0.065 0.000 2.321 712 N HA 0.089 4.833 4.740 0.007 0.000 0.242 712 N C -0.767 174.469 175.510 -0.457 0.000 1.141 712 N CA 0.001 52.955 53.050 -0.161 0.000 0.864 712 N CB 0.151 38.503 38.487 -0.225 0.000 1.100 712 N HN 0.374 nan 8.380 nan 0.000 0.510 713 Y N 0.225 120.530 120.300 0.008 0.000 2.512 713 Y HA 0.554 5.108 4.550 0.007 0.000 0.348 713 Y C -0.377 175.445 175.900 -0.131 0.000 0.990 713 Y CA -1.053 56.965 58.100 -0.137 0.000 1.033 713 Y CB 2.216 40.507 38.460 -0.282 0.000 1.259 713 Y HN -0.087 nan 8.280 nan 0.000 0.461 714 I N 2.191 122.721 120.570 -0.067 0.000 2.530 714 I HA 0.506 4.680 4.170 0.007 0.000 0.297 714 I C -1.768 174.258 176.117 -0.150 0.000 1.011 714 I CA -0.857 60.480 61.300 0.061 0.000 1.107 714 I CB 1.287 39.413 38.000 0.209 0.000 1.285 714 I HN 0.574 nan 8.210 nan 0.000 0.436 715 Y N 6.423 126.825 120.300 0.169 0.000 2.361 715 Y HA 0.344 4.898 4.550 0.007 0.000 0.337 715 Y C -1.099 174.836 175.900 0.058 0.000 0.965 715 Y CA -0.610 57.564 58.100 0.123 0.000 1.091 715 Y CB 1.471 40.018 38.460 0.145 0.000 1.182 715 Y HN 0.400 nan 8.280 nan 0.000 0.450 716 Y N 4.646 124.873 120.300 -0.122 0.000 2.417 716 Y HA 0.594 5.148 4.550 0.006 0.000 0.336 716 Y C -1.191 174.818 175.900 0.182 0.000 0.961 716 Y CA -2.066 55.884 58.100 -0.251 0.000 1.215 716 Y CB 0.699 38.554 38.460 -1.008 0.000 1.120 716 Y HN 0.653 nan 8.280 nan 0.000 0.499 717 M N 8.878 128.500 119.600 0.037 0.000 2.113 717 M HA 0.441 4.925 4.480 0.007 0.000 0.352 717 M C -1.182 175.048 176.300 -0.118 0.000 1.170 717 M CA -0.130 55.145 55.300 -0.042 0.000 1.053 717 M CB 0.537 33.115 32.600 -0.038 0.000 1.601 717 M HN 0.555 nan 8.290 nan 0.000 0.459 718 F N -0.222 119.439 119.950 -0.481 0.000 2.711 718 F HA 0.970 5.501 4.527 0.006 0.000 0.313 718 F C -0.088 175.586 175.800 -0.211 0.000 1.141 718 F CA -1.499 56.249 58.000 -0.420 0.000 0.941 718 F CB 0.828 39.377 39.000 -0.751 0.000 1.349 718 F HN 0.518 nan 8.300 nan 0.000 0.464 719 G N -0.625 108.081 108.800 -0.157 0.000 2.477 719 G HA2 0.598 4.562 3.960 0.007 0.000 0.304 719 G HA3 0.598 4.562 3.960 0.007 0.000 0.304 719 G C -0.794 173.995 174.900 -0.184 0.000 1.175 719 G CA -0.586 44.379 45.100 -0.225 0.000 0.907 719 G HN 1.285 nan 8.290 nan 0.000 0.509 720 G N -0.398 108.333 108.800 -0.116 0.000 2.732 720 G HA2 0.570 4.535 3.960 0.007 0.000 0.296 720 G HA3 0.570 4.535 3.960 0.007 0.000 0.296 720 G C -0.896 173.954 174.900 -0.083 0.000 1.448 720 G CA -0.647 44.362 45.100 -0.153 0.000 0.911 720 G HN 0.573 nan 8.290 nan 0.000 0.528 721 E N -0.449 119.647 120.200 -0.174 0.000 2.446 721 E HA 0.599 4.953 4.350 0.007 0.000 0.251 721 E C -0.627 175.815 176.600 -0.262 0.000 1.087 721 E CA -0.738 55.533 56.400 -0.216 0.000 0.937 721 E CB 1.447 30.996 29.700 -0.252 0.000 1.254 721 E HN 0.638 nan 8.360 nan 0.000 0.479 722 D N -1.825 118.394 120.400 -0.302 0.000 2.758 722 D HA 0.161 4.806 4.640 0.007 0.000 0.279 722 D C 0.356 176.357 176.300 -0.500 0.000 1.111 722 D CA -0.555 53.197 54.000 -0.414 0.000 1.109 722 D CB 0.173 40.781 40.800 -0.321 0.000 1.428 722 D HN 0.339 nan 8.370 nan 0.000 0.586 723 H N -1.204 117.599 119.070 -0.445 0.000 2.547 723 H HA 0.163 4.722 4.556 0.006 0.000 0.266 723 H C -0.221 174.930 175.328 -0.296 0.000 0.988 723 H CA 0.090 55.908 56.048 -0.382 0.000 1.147 723 H CB -0.216 29.345 29.762 -0.336 0.000 1.365 723 H HN 0.167 nan 8.280 nan 0.000 0.589 724 F N 1.982 121.851 119.950 -0.136 0.000 2.438 724 F HA 0.082 4.614 4.527 0.007 0.000 0.360 724 F C 1.198 176.742 175.800 -0.428 0.000 1.118 724 F CA -1.073 56.795 58.000 -0.220 0.000 1.164 724 F CB -0.011 38.891 39.000 -0.164 0.000 1.131 724 F HN -0.027 nan 8.300 nan 0.000 0.527 725 N N 6.287 124.680 118.700 -0.513 0.000 2.483 725 N HA 0.029 4.773 4.740 0.007 0.000 0.264 725 N C -1.497 173.309 175.510 -1.173 0.000 1.197 725 N CA -1.091 51.370 53.050 -0.981 0.000 0.927 725 N CB 1.325 38.847 38.487 -1.608 0.000 1.065 725 N HN 0.210 nan 8.380 nan 0.000 0.461 726 P HA -0.068 nan 4.420 nan 0.000 0.226 726 P C -0.470 176.681 177.300 -0.248 0.000 1.153 726 P CA 0.770 63.612 63.100 -0.431 0.000 0.777 726 P CB -0.066 31.562 31.700 -0.121 0.000 0.794 727 W N -1.988 119.307 121.300 -0.010 0.000 4.034 727 W HA -0.191 4.472 4.660 0.005 0.000 0.345 727 W C 1.168 177.680 176.519 -0.012 0.000 1.308 727 W CA 0.098 57.447 57.345 0.006 0.000 0.740 727 W CB -3.141 26.314 29.460 -0.008 0.000 2.404 727 W HN -0.085 nan 8.180 nan 0.000 1.353 728 T N -1.125 113.484 114.554 0.092 0.000 2.720 728 T HA -0.228 4.126 4.350 0.007 0.000 0.268 728 T C 0.489 175.100 174.700 -0.148 0.000 1.037 728 T CA 1.507 63.552 62.100 -0.091 0.000 1.144 728 T CB -0.265 68.435 68.868 -0.280 0.000 0.864 728 T HN 0.203 nan 8.240 nan 0.000 0.444 729 Y N 1.284 121.705 120.300 0.203 0.000 2.751 729 Y HA 0.533 5.090 4.550 0.012 0.000 0.333 729 Y C 0.997 177.028 175.900 0.219 0.000 1.122 729 Y CA -0.624 57.585 58.100 0.182 0.000 1.367 729 Y CB 0.424 38.986 38.460 0.170 0.000 1.242 729 Y HN 0.306 nan 8.280 nan 0.000 0.505 730 G N 1.351 110.316 108.800 0.276 0.000 2.455 730 G HA2 -0.091 3.874 3.960 0.007 0.000 0.223 730 G HA3 -0.091 3.874 3.960 0.007 0.000 0.223 730 G C -0.817 174.145 174.900 0.104 0.000 1.226 730 G CA -0.250 44.958 45.100 0.179 0.000 0.948 730 G HN 0.375 nan 8.290 nan 0.000 0.478 731 D N -0.517 119.905 120.400 0.036 0.000 2.328 731 D HA 0.087 4.732 4.640 0.007 0.000 0.226 731 D C 0.614 176.954 176.300 0.065 0.000 1.066 731 D CA 0.336 54.344 54.000 0.014 0.000 0.861 731 D CB 0.018 40.777 40.800 -0.069 0.000 0.912 731 D HN 0.375 nan 8.370 nan 0.000 0.521 732 N N 0.245 119.019 118.700 0.123 0.000 2.622 732 N HA -0.006 4.739 4.740 0.007 0.000 0.304 732 N C 0.716 176.286 175.510 0.100 0.000 1.844 732 N CA 0.150 53.270 53.050 0.117 0.000 0.886 732 N CB 0.567 39.140 38.487 0.144 0.000 1.366 732 N HN 0.101 nan 8.380 nan 0.000 0.491 733 S N -0.722 115.026 115.700 0.080 0.000 2.442 733 S HA -0.107 4.367 4.470 0.007 0.000 0.236 733 S C 1.943 176.578 174.600 0.057 0.000 1.007 733 S CA 0.939 59.168 58.200 0.049 0.000 0.965 733 S CB -0.049 63.184 63.200 0.054 0.000 0.773 733 S HN 0.380 nan 8.310 nan 0.000 0.504 734 A N 1.603 124.466 122.820 0.072 0.000 2.121 734 A HA 0.112 4.436 4.320 0.007 0.000 0.218 734 A C 1.273 178.921 177.584 0.107 0.000 1.154 734 A CA 1.055 53.140 52.037 0.080 0.000 0.679 734 A CB -0.690 18.358 19.000 0.080 0.000 0.795 734 A HN 0.624 nan 8.150 nan 0.000 0.458 735 K N -0.660 119.818 120.400 0.130 0.000 3.160 735 K HA -0.173 4.151 4.320 0.007 0.000 0.280 735 K C -0.528 176.221 176.600 0.249 0.000 1.154 735 K CA 0.721 57.146 56.287 0.230 0.000 0.822 735 K CB -1.609 31.032 32.500 0.234 0.000 1.239 735 K HN 0.629 nan 8.250 nan 0.000 0.489 736 D N 0.863 121.342 120.400 0.131 0.000 2.451 736 D HA 0.005 4.650 4.640 0.007 0.000 0.254 736 D C -1.387 174.882 176.300 -0.051 0.000 1.204 736 D CA -1.676 52.374 54.000 0.084 0.000 0.896 736 D CB 1.020 41.876 40.800 0.095 0.000 1.136 736 D HN -0.002 nan 8.370 nan 0.000 0.499 737 P HA -0.040 nan 4.420 nan 0.000 0.223 737 P C 0.487 177.347 177.300 -0.733 0.000 1.151 737 P CA 0.812 63.564 63.100 -0.580 0.000 0.787 737 P CB 0.026 31.073 31.700 -1.088 0.000 0.788 738 F N -1.342 118.568 119.950 -0.067 0.000 2.693 738 F HA 0.175 4.707 4.527 0.008 0.000 0.303 738 F C 0.903 176.687 175.800 -0.027 0.000 1.097 738 F CA -0.091 57.877 58.000 -0.052 0.000 1.330 738 F CB -0.353 38.629 39.000 -0.030 0.000 1.067 738 F HN -0.349 nan 8.300 nan 0.000 0.565 739 K N 0.848 121.283 120.400 0.058 0.000 2.234 739 K HA 0.323 4.648 4.320 0.007 0.000 0.282 739 K C 0.896 177.509 176.600 0.021 0.000 1.039 739 K CA 0.071 56.389 56.287 0.052 0.000 0.928 739 K CB 1.195 33.729 32.500 0.056 0.000 1.039 739 K HN 0.147 nan 8.250 nan 0.000 0.470 740 S N 2.302 118.023 115.700 0.035 0.000 4.054 740 S HA -0.253 4.221 4.470 0.007 0.000 0.618 740 S C 0.337 174.903 174.600 -0.056 0.000 2.026 740 S CA 1.586 59.804 58.200 0.030 0.000 4.205 740 S CB -1.085 62.214 63.200 0.166 0.000 0.233 740 S HN 0.771 nan 8.310 nan 0.000 0.612 741 D N 2.973 123.304 120.400 -0.114 0.000 2.325 741 D HA 0.363 5.007 4.640 0.007 0.000 0.225 741 D C 1.379 177.554 176.300 -0.208 0.000 1.096 741 D CA 1.046 54.916 54.000 -0.218 0.000 0.844 741 D CB -0.281 40.280 40.800 -0.398 0.000 0.925 741 D HN 0.962 nan 8.370 nan 0.000 0.513 742 G N 1.416 110.067 108.800 -0.249 0.000 2.614 742 G HA2 -0.298 3.667 3.960 0.007 0.000 0.303 742 G HA3 -0.298 3.667 3.960 0.007 0.000 0.303 742 G C -0.352 174.246 174.900 -0.503 0.000 1.270 742 G CA 0.011 44.862 45.100 -0.415 0.000 0.988 742 G HN 0.489 nan 8.290 nan 0.000 0.551 743 H N 2.029 121.024 119.070 -0.126 0.000 2.467 743 H HA 0.465 5.024 4.556 0.006 0.000 0.326 743 H C -1.198 174.011 175.328 -0.197 0.000 1.094 743 H CA -1.217 54.753 56.048 -0.129 0.000 1.253 743 H CB 1.940 31.686 29.762 -0.026 0.000 1.439 743 H HN 0.318 nan 8.280 nan 0.000 0.479 744 P HA -0.071 nan 4.420 nan 0.000 0.233 744 P C 0.393 177.550 177.300 -0.239 0.000 1.167 744 P CA 0.397 63.397 63.100 -0.166 0.000 0.770 744 P CB 0.516 32.098 31.700 -0.196 0.000 0.837 745 S N 0.664 116.123 115.700 -0.401 0.000 2.505 745 S HA 0.206 4.680 4.470 0.007 0.000 0.276 745 S C -0.202 174.203 174.600 -0.326 0.000 1.274 745 S CA -0.181 57.745 58.200 -0.456 0.000 1.053 745 S CB -0.144 62.534 63.200 -0.870 0.000 0.919 745 S HN -0.027 nan 8.310 nan 0.000 0.490 746 D N 2.371 122.600 120.400 -0.285 0.000 2.579 746 D HA 0.368 5.013 4.640 0.007 0.000 0.257 746 D C -0.724 175.297 176.300 -0.464 0.000 1.176 746 D CA -0.509 53.268 54.000 -0.371 0.000 0.914 746 D CB 1.384 41.947 40.800 -0.396 0.000 1.431 746 D HN 0.416 nan 8.370 nan 0.000 0.454 747 L N 0.914 121.762 121.223 -0.624 0.000 2.334 747 L HA 0.430 4.774 4.340 0.007 0.000 0.277 747 L C -0.704 175.626 176.870 -0.899 0.000 1.075 747 L CA -0.511 53.938 54.840 -0.653 0.000 0.804 747 L CB 0.301 41.972 42.059 -0.647 0.000 1.174 747 L HN 0.275 nan 8.230 nan 0.000 0.438 748 Y N 0.624 120.475 120.300 -0.748 0.000 2.598 748 Y HA 0.550 5.104 4.550 0.008 0.000 0.340 748 Y C -0.192 175.359 175.900 -0.582 0.000 1.038 748 Y CA -0.735 56.937 58.100 -0.714 0.000 1.100 748 Y CB 2.067 39.973 38.460 -0.923 0.000 1.281 748 Y HN 0.509 nan 8.280 nan 0.000 0.488 749 C N 2.199 121.454 119.300 -0.074 0.000 2.516 749 C HA 0.472 4.936 4.460 0.007 0.000 0.338 749 C C -1.498 173.748 174.990 0.427 0.000 1.132 749 C CA -0.843 58.255 59.018 0.133 0.000 1.310 749 C CB -0.823 26.885 27.740 -0.054 0.000 1.898 749 C HN 0.771 nan 8.230 nan 0.000 0.452 750 Y N 5.230 125.773 120.300 0.405 0.000 2.383 750 Y HA 0.427 4.982 4.550 0.008 0.000 0.344 750 Y C 0.376 176.385 175.900 0.182 0.000 0.986 750 Y CA 0.332 58.617 58.100 0.308 0.000 1.175 750 Y CB 0.424 39.030 38.460 0.244 0.000 1.152 750 Y HN 0.706 nan 8.280 nan 0.000 0.511 751 K N 8.398 128.696 120.400 -0.171 0.000 2.293 751 K HA 0.378 4.702 4.320 0.007 0.000 0.267 751 K C -1.302 175.144 176.600 -0.256 0.000 1.010 751 K CA -0.649 55.500 56.287 -0.229 0.000 0.875 751 K CB 0.709 33.140 32.500 -0.114 0.000 1.106 751 K HN 0.868 nan 8.250 nan 0.000 0.450 752 M N 4.488 124.056 119.600 -0.053 0.000 2.393 752 M HA 0.280 4.765 4.480 0.007 0.000 0.316 752 M C -1.032 175.318 176.300 0.084 0.000 1.087 752 M CA -0.729 54.625 55.300 0.089 0.000 0.937 752 M CB 1.542 34.282 32.600 0.233 0.000 1.668 752 M HN 0.500 nan 8.290 nan 0.000 0.438 753 K N 3.399 123.823 120.400 0.040 0.000 2.298 753 K HA 0.253 4.577 4.320 0.007 0.000 0.280 753 K C -0.332 176.128 176.600 -0.233 0.000 1.032 753 K CA 0.064 56.194 56.287 -0.263 0.000 0.958 753 K CB 0.762 33.145 32.500 -0.194 0.000 0.978 753 K HN 0.808 nan 8.250 nan 0.000 0.472 754 I N 2.128 122.509 120.570 -0.315 0.000 4.655 754 I HA 0.278 4.453 4.170 0.007 0.000 0.333 754 I C 0.155 176.175 176.117 -0.163 0.000 1.312 754 I CA 0.009 61.204 61.300 -0.175 0.000 1.270 754 I CB 1.391 39.329 38.000 -0.103 0.000 1.318 754 I HN 0.762 nan 8.210 nan 0.000 0.456 755 G N -0.116 108.548 108.800 -0.227 0.000 2.649 755 G HA2 0.569 4.533 3.960 0.007 0.000 0.290 755 G HA3 0.569 4.533 3.960 0.007 0.000 0.290 755 G C -3.148 171.645 174.900 -0.179 0.000 1.426 755 G CA -1.042 43.962 45.100 -0.160 0.000 0.794 755 G HN -0.304 nan 8.290 nan 0.000 0.483 756 P HA 0.240 nan 4.420 nan 0.000 0.275 756 P C -1.096 176.161 177.300 -0.072 0.000 1.227 756 P CA -0.212 62.838 63.100 -0.083 0.000 0.781 756 P CB 1.085 32.755 31.700 -0.049 0.000 0.906 757 D N 2.165 122.538 120.400 -0.045 0.000 2.427 757 D HA 0.125 4.769 4.640 0.007 0.000 0.226 757 D C -0.231 176.079 176.300 0.018 0.000 1.076 757 D CA -0.199 53.805 54.000 0.006 0.000 0.849 757 D CB 0.011 40.847 40.800 0.060 0.000 1.052 757 D HN 0.243 nan 8.370 nan 0.000 0.515 758 N N 2.551 121.262 118.700 0.018 0.000 2.346 758 N HA 0.120 4.865 4.740 0.007 0.000 0.225 758 N C 0.078 175.601 175.510 0.023 0.000 1.144 758 N CA -0.093 52.967 53.050 0.016 0.000 0.837 758 N CB 0.702 39.195 38.487 0.010 0.000 1.069 758 N HN 0.064 nan 8.380 nan 0.000 0.487 759 R N 0.146 120.666 120.500 0.034 0.000 2.807 759 R HA 0.428 4.772 4.340 0.007 0.000 0.276 759 R C -0.402 175.920 176.300 0.037 0.000 0.979 759 R CA -0.883 55.237 56.100 0.034 0.000 0.928 759 R CB 2.070 32.394 30.300 0.040 0.000 1.191 759 R HN -0.074 nan 8.270 nan 0.000 0.471 760 V N 1.251 121.184 119.914 0.031 0.000 3.287 760 V HA -0.074 4.050 4.120 0.007 0.000 0.306 760 V C 0.794 176.909 176.094 0.036 0.000 1.103 760 V CA 0.445 62.763 62.300 0.031 0.000 1.159 760 V CB 1.542 33.381 31.823 0.026 0.000 1.036 760 V HN 0.787 nan 8.190 nan 0.000 0.487 761 S N 1.614 117.335 115.700 0.034 0.000 2.546 761 S HA 0.093 4.567 4.470 0.007 0.000 0.290 761 S C 0.903 175.523 174.600 0.032 0.000 1.290 761 S CA -0.185 58.034 58.200 0.031 0.000 1.069 761 S CB 0.038 63.254 63.200 0.027 0.000 0.846 761 S HN 0.609 nan 8.310 nan 0.000 0.495 762 R N 2.096 122.606 120.500 0.017 0.000 2.334 762 R HA 0.254 4.598 4.340 0.007 0.000 0.216 762 R C -0.272 176.029 176.300 0.002 0.000 0.905 762 R CA 0.002 56.118 56.100 0.027 0.000 1.064 762 R CB 0.061 30.364 30.300 0.005 0.000 1.046 762 R HN 0.558 nan 8.270 nan 0.000 0.508 763 D N 0.814 121.180 120.400 -0.057 0.000 2.414 763 D HA 0.092 4.736 4.640 0.007 0.000 0.242 763 D C -0.086 176.179 176.300 -0.058 0.000 1.129 763 D CA 0.531 54.428 54.000 -0.172 0.000 0.885 763 D CB 0.551 41.292 40.800 -0.099 0.000 1.198 763 D HN -0.002 nan 8.370 nan 0.000 0.437 764 F N -1.318 118.661 119.950 0.049 0.000 2.629 764 F HA 0.572 5.104 4.527 0.007 0.000 0.316 764 F C 0.008 175.854 175.800 0.077 0.000 1.081 764 F CA -1.645 56.383 58.000 0.046 0.000 0.954 764 F CB 1.239 40.257 39.000 0.029 0.000 1.337 764 F HN 0.009 nan 8.300 nan 0.000 0.474 765 R N 1.038 121.744 120.500 0.343 0.000 2.357 765 R HA 0.316 4.661 4.340 0.007 0.000 0.296 765 R C -1.697 174.839 176.300 0.393 0.000 1.052 765 R CA -0.516 55.754 56.100 0.284 0.000 0.988 765 R CB 0.632 31.027 30.300 0.159 0.000 1.025 765 R HN 0.828 nan 8.270 nan 0.000 0.469 766 Y N 3.284 123.744 120.300 0.266 0.000 2.486 766 Y HA 0.337 4.892 4.550 0.008 0.000 0.348 766 Y C 0.628 176.587 175.900 0.099 0.000 1.000 766 Y CA 0.399 58.625 58.100 0.211 0.000 1.253 766 Y CB 1.280 39.870 38.460 0.216 0.000 1.140 766 Y HN 0.848 nan 8.280 nan 0.000 0.526 767 G N 4.326 113.010 108.800 -0.193 0.000 3.735 767 G HA2 0.442 4.407 3.960 0.007 0.000 0.283 767 G HA3 0.442 4.407 3.960 0.007 0.000 0.283 767 G C -0.087 174.669 174.900 -0.240 0.000 1.007 767 G CA 0.240 45.263 45.100 -0.128 0.000 0.821 767 G HN 0.834 nan 8.290 nan 0.000 0.505 768 A N -0.084 122.403 122.820 -0.554 0.000 2.271 768 A HA 0.686 5.010 4.320 0.007 0.000 0.288 768 A C 0.010 177.519 177.584 -0.125 0.000 1.094 768 A CA -0.342 51.462 52.037 -0.387 0.000 0.828 768 A CB 1.161 19.834 19.000 -0.546 0.000 1.091 768 A HN 0.268 nan 8.150 nan 0.000 0.493 769 V N 2.772 122.655 119.914 -0.051 0.000 2.470 769 V HA 0.191 4.315 4.120 0.007 0.000 0.276 769 V C -2.014 174.122 176.094 0.069 0.000 1.040 769 V CA -0.844 61.472 62.300 0.027 0.000 1.008 769 V CB 0.506 32.325 31.823 -0.006 0.000 0.990 769 V HN 0.733 nan 8.190 nan 0.000 0.477 770 P HA 0.128 nan 4.420 nan 0.000 0.265 770 P C 0.059 177.383 177.300 0.041 0.000 1.222 770 P CA 0.393 63.590 63.100 0.162 0.000 0.767 770 P CB 0.123 31.896 31.700 0.123 0.000 0.801 771 N N 2.356 121.066 118.700 0.016 0.000 2.466 771 N HA 0.091 4.836 4.740 0.007 0.000 0.272 771 N C 0.721 176.214 175.510 -0.028 0.000 1.455 771 N CA -0.296 52.718 53.050 -0.060 0.000 0.875 771 N CB 0.302 38.706 38.487 -0.139 0.000 1.372 771 N HN 0.082 nan 8.380 nan 0.000 0.492 772 R N -0.023 120.476 120.500 -0.002 0.000 2.123 772 R HA 0.265 4.609 4.340 0.007 0.000 0.209 772 R C 1.950 178.237 176.300 -0.021 0.000 1.078 772 R CA 0.491 56.591 56.100 0.001 0.000 1.028 772 R CB -0.757 29.546 30.300 0.006 0.000 0.939 772 R HN 0.128 nan 8.270 nan 0.000 0.463 773 A N 1.091 123.892 122.820 -0.032 0.000 1.855 773 A HA 0.015 4.339 4.320 0.007 0.000 0.215 773 A C 0.868 178.413 177.584 -0.065 0.000 1.191 773 A CA 1.088 53.092 52.037 -0.055 0.000 0.613 773 A CB 0.102 19.072 19.000 -0.051 0.000 0.829 773 A HN 0.041 nan 8.150 nan 0.000 0.442 774 V N 1.090 120.971 119.914 -0.054 0.000 2.383 774 V HA 0.273 4.397 4.120 0.007 0.000 0.264 774 V C -2.935 173.123 176.094 -0.061 0.000 1.001 774 V CA -1.606 60.665 62.300 -0.048 0.000 0.828 774 V CB 0.843 32.643 31.823 -0.038 0.000 1.069 774 V HN 0.196 nan 8.190 nan 0.000 0.451 775 P HA 0.196 nan 4.420 nan 0.000 0.265 775 P C -0.399 176.791 177.300 -0.184 0.000 1.222 775 P CA 0.349 63.395 63.100 -0.089 0.000 0.767 775 P CB 0.915 32.701 31.700 0.143 0.000 0.801 776 V N 5.435 125.055 119.914 -0.491 0.000 2.513 776 V HA 0.536 4.660 4.120 0.007 0.000 0.299 776 V C -0.350 175.212 176.094 -0.888 0.000 1.035 776 V CA -0.327 61.708 62.300 -0.443 0.000 0.889 776 V CB 1.109 32.758 31.823 -0.290 0.000 0.988 776 V HN 0.313 nan 8.190 nan 0.000 0.440 777 F N 3.106 123.043 119.950 -0.023 0.000 2.557 777 F HA 0.551 5.082 4.527 0.007 0.000 0.316 777 F C -0.409 175.407 175.800 0.028 0.000 1.141 777 F CA -0.667 57.363 58.000 0.050 0.000 0.922 777 F CB 1.472 40.497 39.000 0.041 0.000 1.194 777 F HN 0.274 nan 8.300 nan 0.000 0.443 778 F N 3.143 123.169 119.950 0.126 0.000 2.533 778 F HA 0.136 4.667 4.527 0.007 0.000 0.378 778 F C 0.951 176.809 175.800 0.097 0.000 1.070 778 F CA -0.533 57.516 58.000 0.082 0.000 1.172 778 F CB 0.041 39.068 39.000 0.045 0.000 1.085 778 F HN 0.455 nan 8.300 nan 0.000 0.552 779 D N 0.434 120.950 120.400 0.193 0.000 2.398 779 D HA 0.006 4.650 4.640 0.007 0.000 0.247 779 D C 1.255 177.626 176.300 0.118 0.000 1.227 779 D CA -0.142 53.934 54.000 0.127 0.000 0.980 779 D CB 0.089 40.932 40.800 0.072 0.000 1.106 779 D HN 0.518 nan 8.370 nan 0.000 0.493 780 T N -2.869 111.729 114.554 0.074 0.000 3.051 780 T HA -0.171 4.183 4.350 0.007 0.000 0.269 780 T C 1.177 175.912 174.700 0.057 0.000 1.127 780 T CA 1.119 63.254 62.100 0.058 0.000 1.107 780 T CB -0.498 68.390 68.868 0.034 0.000 0.898 780 T HN 0.484 nan 8.240 nan 0.000 0.517 781 N N 0.798 119.534 118.700 0.060 0.000 2.270 781 N HA 0.247 4.991 4.740 0.007 0.000 0.198 781 N C 1.317 176.873 175.510 0.076 0.000 1.117 781 N CA 0.613 53.694 53.050 0.052 0.000 0.845 781 N CB -0.302 38.206 38.487 0.035 0.000 0.980 781 N HN 0.510 nan 8.380 nan 0.000 0.486 782 G N -0.426 108.449 108.800 0.125 0.000 2.143 782 G HA2 -0.225 3.739 3.960 0.007 0.000 0.248 782 G HA3 -0.225 3.739 3.960 0.007 0.000 0.248 782 G C -0.421 174.606 174.900 0.213 0.000 0.991 782 G CA 0.464 45.687 45.100 0.206 0.000 0.689 782 G HN 0.222 nan 8.290 nan 0.000 0.522 783 V N 0.745 120.716 119.914 0.095 0.000 2.435 783 V HA 0.470 4.594 4.120 0.007 0.000 0.290 783 V C 1.101 177.096 176.094 -0.164 0.000 1.030 783 V CA -1.027 61.257 62.300 -0.027 0.000 0.881 783 V CB 1.539 33.352 31.823 -0.017 0.000 0.983 783 V HN 0.409 nan 8.190 nan 0.000 0.445 784 R N 2.510 122.779 120.500 -0.385 0.000 2.502 784 R HA 0.296 4.640 4.340 0.007 0.000 0.292 784 R C -0.251 175.938 176.300 -0.186 0.000 0.998 784 R CA 0.333 56.148 56.100 -0.474 0.000 1.056 784 R CB 0.132 30.130 30.300 -0.503 0.000 0.939 784 R HN 0.712 nan 8.270 nan 0.000 0.411 785 T N 2.382 116.884 114.554 -0.086 0.000 2.841 785 T HA 0.295 4.649 4.350 0.007 0.000 0.285 785 T C -0.617 174.142 174.700 0.098 0.000 0.991 785 T CA -0.673 61.441 62.100 0.024 0.000 0.966 785 T CB 1.813 70.722 68.868 0.069 0.000 0.962 785 T HN 0.165 nan 8.240 nan 0.000 0.438 786 V N 6.086 126.045 119.914 0.075 0.000 2.313 786 V HA 0.301 4.425 4.120 0.007 0.000 0.278 786 V C -1.425 174.732 176.094 0.105 0.000 1.017 786 V CA -1.345 61.017 62.300 0.102 0.000 0.823 786 V CB 1.187 33.049 31.823 0.064 0.000 1.010 786 V HN 0.765 nan 8.190 nan 0.000 0.443 787 P HA 0.236 nan 4.420 nan 0.000 0.245 787 P C 0.491 177.823 177.300 0.053 0.000 1.203 787 P CA 0.181 63.323 63.100 0.071 0.000 0.792 787 P CB 0.482 32.203 31.700 0.035 0.000 0.997 788 A N 2.283 125.143 122.820 0.067 0.000 2.388 788 A HA 0.478 4.802 4.320 0.007 0.000 0.257 788 A C -1.954 175.644 177.584 0.023 0.000 1.095 788 A CA -1.097 50.961 52.037 0.035 0.000 0.791 788 A CB -0.788 18.229 19.000 0.028 0.000 1.029 788 A HN 0.062 nan 8.150 nan 0.000 0.489 789 P HA 0.310 nan 4.420 nan 0.000 0.269 789 P C -0.625 176.667 177.300 -0.013 0.000 1.209 789 P CA 0.478 63.581 63.100 0.005 0.000 0.776 789 P CB 0.542 32.238 31.700 -0.008 0.000 0.876 790 M N 1.022 120.624 119.600 0.002 0.000 2.569 790 M HA 0.320 4.804 4.480 0.007 0.000 0.279 790 M C -0.546 175.732 176.300 -0.037 0.000 1.253 790 M CA -0.724 54.538 55.300 -0.064 0.000 0.867 790 M CB 2.973 35.525 32.600 -0.080 0.000 1.727 790 M HN 0.188 nan 8.290 nan 0.000 0.467 791 E N 1.685 121.789 120.200 -0.160 0.000 2.187 791 E HA 0.532 4.887 4.350 0.007 0.000 0.268 791 E C -1.739 174.727 176.600 -0.223 0.000 0.896 791 E CA -0.197 56.157 56.400 -0.077 0.000 0.766 791 E CB 2.050 31.715 29.700 -0.058 0.000 1.142 791 E HN 0.426 nan 8.360 nan 0.000 0.408 792 F N 0.846 120.783 119.950 -0.022 0.000 2.427 792 F HA 0.172 4.704 4.527 0.007 0.000 0.348 792 F C 1.522 177.312 175.800 -0.017 0.000 1.125 792 F CA -0.525 57.455 58.000 -0.033 0.000 0.989 792 F CB 1.747 40.723 39.000 -0.040 0.000 1.165 792 F HN 0.348 nan 8.300 nan 0.000 0.442 793 T N -1.005 113.615 114.554 0.109 0.000 3.014 793 T HA 0.263 4.618 4.350 0.007 0.000 0.250 793 T C 0.996 175.737 174.700 0.069 0.000 1.060 793 T CA 0.117 62.270 62.100 0.089 0.000 1.040 793 T CB 0.008 68.932 68.868 0.093 0.000 0.971 793 T HN 0.586 nan 8.240 nan 0.000 0.497 794 G N 1.247 110.072 108.800 0.041 0.000 2.572 794 G HA2 0.424 4.388 3.960 0.007 0.000 0.261 794 G HA3 0.424 4.388 3.960 0.007 0.000 0.261 794 G C -0.873 174.050 174.900 0.038 0.000 1.197 794 G CA -0.611 44.495 45.100 0.011 0.000 0.870 794 G HN 0.233 nan 8.290 nan 0.000 0.548 795 D N -0.395 120.021 120.400 0.026 0.000 2.458 795 D HA 0.194 4.838 4.640 0.007 0.000 0.243 795 D C -0.065 176.237 176.300 0.004 0.000 1.146 795 D CA 0.234 54.246 54.000 0.021 0.000 0.877 795 D CB 1.429 42.242 40.800 0.022 0.000 1.176 795 D HN -0.104 nan 8.370 nan 0.000 0.461 796 L N 1.685 122.899 121.223 -0.015 0.000 2.329 796 L HA 0.538 4.882 4.340 0.007 0.000 0.279 796 L C 0.577 177.415 176.870 -0.054 0.000 1.014 796 L CA -0.629 54.176 54.840 -0.057 0.000 0.814 796 L CB 1.815 43.807 42.059 -0.111 0.000 1.257 796 L HN 0.386 nan 8.230 nan 0.000 0.424 797 G N 4.820 113.584 108.800 -0.060 0.000 2.422 797 G HA2 0.648 4.612 3.960 0.007 0.000 0.317 797 G HA3 0.648 4.612 3.960 0.007 0.000 0.317 797 G C -1.044 173.813 174.900 -0.072 0.000 1.210 797 G CA -0.374 44.694 45.100 -0.053 0.000 0.930 797 G HN 0.438 nan 8.290 nan 0.000 0.468 798 L N 1.941 123.119 121.223 -0.074 0.000 2.319 798 L HA 0.711 5.055 4.340 0.007 0.000 0.267 798 L C 1.148 177.981 176.870 -0.062 0.000 1.011 798 L CA -1.003 53.787 54.840 -0.083 0.000 0.818 798 L CB 2.093 44.091 42.059 -0.101 0.000 1.316 798 L HN 0.648 nan 8.230 nan 0.000 0.432 799 G N -1.144 107.627 108.800 -0.047 0.000 3.137 799 G HA2 0.066 4.030 3.960 0.007 0.000 0.163 799 G HA3 0.066 4.030 3.960 0.007 0.000 0.163 799 G C -0.251 174.638 174.900 -0.019 0.000 1.602 799 G CA -0.210 44.879 45.100 -0.019 0.000 1.067 799 G HN 0.612 nan 8.290 nan 0.000 0.568 800 H N -0.231 118.810 119.070 -0.048 0.000 2.848 800 H HA 0.355 4.916 4.556 0.007 0.000 0.341 800 H C -0.958 174.341 175.328 -0.050 0.000 1.060 800 H CA 0.306 56.325 56.048 -0.047 0.000 1.444 800 H CB 0.678 30.416 29.762 -0.040 0.000 1.446 800 H HN -0.013 nan 8.280 nan 0.000 0.583 801 V N 5.148 124.807 119.914 -0.424 0.000 2.638 801 V HA 0.201 4.325 4.120 0.007 0.000 0.306 801 V C -0.100 175.899 176.094 -0.159 0.000 1.052 801 V CA -0.778 61.420 62.300 -0.171 0.000 0.885 801 V CB 2.132 33.855 31.823 -0.166 0.000 0.999 801 V HN 0.843 nan 8.190 nan 0.000 0.424 802 T N 5.843 120.406 114.554 0.014 0.000 2.792 802 T HA 0.579 4.933 4.350 0.007 0.000 0.280 802 T C -0.492 174.210 174.700 0.003 0.000 0.990 802 T CA -0.338 61.783 62.100 0.035 0.000 0.960 802 T CB 1.091 70.017 68.868 0.097 0.000 0.939 802 T HN 0.308 nan 8.240 nan 0.000 0.439 803 I N 4.141 124.708 120.570 -0.006 0.000 2.307 803 I HA 0.339 4.513 4.170 0.007 0.000 0.289 803 I C 0.871 176.991 176.117 0.004 0.000 1.021 803 I CA -0.697 60.599 61.300 -0.006 0.000 1.224 803 I CB 0.454 38.447 38.000 -0.011 0.000 1.376 803 I HN 0.434 nan 8.210 nan 0.000 0.470 804 R N 3.577 124.080 120.500 0.006 0.000 2.577 804 R HA 0.621 4.965 4.340 0.007 0.000 0.269 804 R C 0.125 176.429 176.300 0.007 0.000 1.084 804 R CA -0.742 55.363 56.100 0.008 0.000 1.163 804 R CB 0.819 31.124 30.300 0.008 0.000 1.100 804 R HN 0.668 nan 8.270 nan 0.000 0.547 805 A N 0.836 123.660 122.820 0.007 0.000 2.520 805 A HA 0.117 4.441 4.320 0.007 0.000 0.245 805 A C 0.887 178.475 177.584 0.006 0.000 1.072 805 A CA 0.469 52.510 52.037 0.006 0.000 0.761 805 A CB 0.063 19.066 19.000 0.005 0.000 1.004 805 A HN 0.874 nan 8.150 nan 0.000 0.499 806 S N 0.478 116.181 115.700 0.006 0.000 2.551 806 S HA 0.191 4.665 4.470 0.007 0.000 0.276 806 S C 0.278 174.882 174.600 0.006 0.000 1.051 806 S CA 0.550 58.754 58.200 0.006 0.000 1.377 806 S CB 0.154 63.358 63.200 0.007 0.000 1.208 806 S HN 0.697 nan 8.310 nan 0.000 0.656 807 T N 2.085 116.643 114.554 0.006 0.000 2.876 807 T HA 0.689 5.043 4.350 0.007 0.000 0.289 807 T C -0.436 174.267 174.700 0.006 0.000 1.014 807 T CA 0.272 62.376 62.100 0.006 0.000 0.986 807 T CB 1.442 70.315 68.868 0.008 0.000 1.021 807 T HN 0.836 nan 8.240 nan 0.000 0.458 808 S N 2.612 118.315 115.700 0.006 0.000 3.866 808 S HA -0.205 4.270 4.470 0.007 0.000 0.427 808 S C 0.593 175.195 174.600 0.004 0.000 0.891 808 S CA 0.724 58.927 58.200 0.005 0.000 1.275 808 S CB -1.896 61.308 63.200 0.005 0.000 0.872 808 S HN 1.351 nan 8.310 nan 0.000 0.562 809 S N 1.206 116.908 115.700 0.004 0.000 3.641 809 S HA -0.212 4.263 4.470 0.007 0.000 0.346 809 S C 0.464 175.066 174.600 0.002 0.000 1.074 809 S CA 1.066 59.268 58.200 0.003 0.000 1.026 809 S CB -1.553 61.648 63.200 0.002 0.000 0.908 809 S HN 1.315 nan 8.310 nan 0.000 0.479 810 N N -1.311 117.391 118.700 0.003 0.000 2.708 810 N HA -0.229 4.516 4.740 0.007 0.000 0.249 810 N C 0.526 176.038 175.510 0.003 0.000 1.097 810 N CA 1.098 54.150 53.050 0.003 0.000 0.710 810 N CB -1.479 37.009 38.487 0.002 0.000 1.032 810 N HN 0.787 nan 8.380 nan 0.000 0.551 811 I N -0.516 120.056 120.570 0.004 0.000 2.439 811 I HA -0.129 4.046 4.170 0.007 0.000 0.251 811 I C 1.208 177.328 176.117 0.004 0.000 1.139 811 I CA 0.910 62.212 61.300 0.003 0.000 1.438 811 I CB 0.248 38.250 38.000 0.003 0.000 1.085 811 I HN 0.300 nan 8.210 nan 0.000 0.427 812 R N 0.001 120.504 120.500 0.005 0.000 2.837 812 R HA 0.502 4.846 4.340 0.007 0.000 0.271 812 R C -0.874 175.429 176.300 0.006 0.000 0.993 812 R CA -0.579 55.524 56.100 0.006 0.000 0.931 812 R CB 1.379 31.683 30.300 0.006 0.000 1.206 812 R HN 0.029 nan 8.270 nan 0.000 0.474 813 S N 0.247 115.951 115.700 0.007 0.000 2.617 813 S HA 0.399 4.873 4.470 0.007 0.000 0.283 813 S C -0.492 174.112 174.600 0.007 0.000 1.189 813 S CA -0.792 57.412 58.200 0.006 0.000 1.036 813 S CB 1.518 64.721 63.200 0.006 0.000 1.014 813 S HN 0.741 nan 8.310 nan 0.000 0.522 814 E N 0.864 121.069 120.200 0.007 0.000 2.291 814 E HA 0.528 4.882 4.350 0.007 0.000 0.276 814 E C -2.004 174.601 176.600 0.008 0.000 0.896 814 E CA -0.766 55.639 56.400 0.008 0.000 0.774 814 E CB 1.733 31.439 29.700 0.009 0.000 1.227 814 E HN 0.538 nan 8.360 nan 0.000 0.413 815 V N 4.841 124.761 119.914 0.009 0.000 2.444 815 V HA 0.416 4.541 4.120 0.007 0.000 0.294 815 V C -0.785 175.318 176.094 0.014 0.000 1.022 815 V CA -0.869 61.437 62.300 0.010 0.000 0.850 815 V CB 1.328 33.155 31.823 0.007 0.000 0.992 815 V HN 0.617 nan 8.190 nan 0.000 0.426 816 L N 5.755 126.988 121.223 0.016 0.000 2.317 816 L HA 0.643 4.987 4.340 0.007 0.000 0.281 816 L C -0.076 176.807 176.870 0.021 0.000 1.024 816 L CA -0.315 54.536 54.840 0.019 0.000 0.810 816 L CB 1.664 43.734 42.059 0.020 0.000 1.240 816 L HN 0.584 nan 8.230 nan 0.000 0.427 817 M N 3.118 122.733 119.600 0.025 0.000 2.268 817 M HA 0.428 4.913 4.480 0.007 0.000 0.344 817 M C 0.036 176.351 176.300 0.024 0.000 1.106 817 M CA -0.463 54.852 55.300 0.025 0.000 1.010 817 M CB 2.012 34.632 32.600 0.032 0.000 1.649 817 M HN 0.537 nan 8.290 nan 0.000 0.443 818 E N 0.982 121.192 120.200 0.015 0.000 2.961 818 E HA 0.782 5.137 4.350 0.007 0.000 0.254 818 E C 0.273 176.870 176.600 -0.005 0.000 1.192 818 E CA -0.422 55.986 56.400 0.013 0.000 1.069 818 E CB 1.189 30.898 29.700 0.016 0.000 1.338 818 E HN 0.871 nan 8.360 nan 0.000 0.596 819 G N 0.672 109.468 108.800 -0.005 0.000 2.760 819 G HA2 -0.308 3.657 3.960 0.007 0.000 0.246 819 G HA3 -0.308 3.657 3.960 0.007 0.000 0.246 819 G C 0.493 175.399 174.900 0.010 0.000 1.359 819 G CA 0.240 45.323 45.100 -0.027 0.000 0.861 819 G HN 0.669 nan 8.290 nan 0.000 0.541 820 E N -1.017 119.198 120.200 0.025 0.000 2.051 820 E HA -0.012 4.342 4.350 0.007 0.000 0.192 820 E C 0.926 177.655 176.600 0.215 0.000 0.991 820 E CA 1.874 58.351 56.400 0.128 0.000 0.799 820 E CB -0.049 29.774 29.700 0.204 0.000 0.748 820 E HN 0.893 nan 8.360 nan 0.000 0.449 821 Y N -2.626 117.706 120.300 0.053 0.000 2.588 821 Y HA 0.673 5.227 4.550 0.007 0.000 0.343 821 Y C -0.208 175.744 175.900 0.087 0.000 1.065 821 Y CA -1.012 57.128 58.100 0.066 0.000 1.038 821 Y CB 0.957 39.459 38.460 0.071 0.000 1.297 821 Y HN -0.110 nan 8.280 nan 0.000 0.467 822 G N 1.223 110.129 108.800 0.177 0.000 2.437 822 G HA2 0.530 4.495 3.960 0.007 0.000 0.319 822 G HA3 0.530 4.495 3.960 0.007 0.000 0.319 822 G C -2.255 172.835 174.900 0.316 0.000 1.158 822 G CA -0.748 44.424 45.100 0.121 0.000 0.899 822 G HN 0.796 nan 8.290 nan 0.000 0.502 823 F N 1.267 121.262 119.950 0.075 0.000 2.557 823 F HA 0.658 5.190 4.527 0.007 0.000 0.316 823 F C -0.873 174.977 175.800 0.084 0.000 1.141 823 F CA -1.079 56.999 58.000 0.129 0.000 0.922 823 F CB 1.550 40.636 39.000 0.142 0.000 1.194 823 F HN 0.247 nan 8.300 nan 0.000 0.443 824 I N 6.018 126.260 120.570 -0.546 0.000 2.410 824 I HA 0.668 4.842 4.170 0.007 0.000 0.286 824 I C 0.030 175.671 176.117 -0.793 0.000 1.009 824 I CA -0.553 60.459 61.300 -0.479 0.000 1.111 824 I CB 1.538 39.460 38.000 -0.129 0.000 1.262 824 I HN 0.767 nan 8.210 nan 0.000 0.443 825 G N 4.360 112.723 108.800 -0.729 0.000 2.766 825 G HA2 0.637 4.601 3.960 0.007 0.000 0.288 825 G HA3 0.637 4.601 3.960 0.007 0.000 0.288 825 G C -1.774 173.038 174.900 -0.147 0.000 1.408 825 G CA -0.554 44.243 45.100 -0.505 0.000 0.852 825 G HN 0.365 nan 8.290 nan 0.000 0.487 826 K N 0.497 120.876 120.400 -0.034 0.000 2.450 826 K HA 0.557 4.882 4.320 0.007 0.000 0.257 826 K C 0.546 177.159 176.600 0.021 0.000 0.953 826 K CA -0.403 55.865 56.287 -0.032 0.000 0.844 826 K CB 1.186 33.651 32.500 -0.059 0.000 1.103 826 K HN 0.789 nan 8.250 nan 0.000 0.429 827 S N 3.905 119.614 115.700 0.015 0.000 2.572 827 S HA 0.201 4.675 4.470 0.007 0.000 0.267 827 S C 0.548 175.157 174.600 0.015 0.000 1.361 827 S CA -0.498 57.717 58.200 0.026 0.000 1.009 827 S CB 0.071 63.280 63.200 0.014 0.000 0.888 827 S HN 0.558 nan 8.310 nan 0.000 0.553 828 I N 2.550 123.132 120.570 0.020 0.000 2.452 828 I HA 0.223 4.397 4.170 0.007 0.000 0.287 828 I C -2.006 174.113 176.117 0.004 0.000 1.079 828 I CA -1.958 59.350 61.300 0.014 0.000 1.387 828 I CB 0.154 38.165 38.000 0.019 0.000 1.404 828 I HN 0.495 nan 8.210 nan 0.000 0.522 829 P HA 0.019 nan 4.420 nan 0.000 0.265 829 P C 0.583 177.880 177.300 -0.003 0.000 1.187 829 P CA 0.131 63.226 63.100 -0.009 0.000 0.766 829 P CB 0.601 32.293 31.700 -0.013 0.000 0.820 830 T N 0.087 114.638 114.554 -0.005 0.000 2.770 830 T HA -0.087 4.267 4.350 0.007 0.000 0.263 830 T C 1.002 175.701 174.700 -0.002 0.000 1.039 830 T CA 1.412 63.510 62.100 -0.002 0.000 1.142 830 T CB -0.331 68.534 68.868 -0.003 0.000 0.868 830 T HN 0.424 nan 8.240 nan 0.000 0.435 831 D N 0.696 121.093 120.400 -0.005 0.000 2.269 831 D HA 0.053 4.697 4.640 0.007 0.000 0.220 831 D C 1.019 177.318 176.300 -0.002 0.000 0.962 831 D CA 0.707 54.705 54.000 -0.004 0.000 0.884 831 D CB -0.011 40.786 40.800 -0.006 0.000 1.023 831 D HN 0.333 nan 8.370 nan 0.000 0.484 832 N N 0.619 119.317 118.700 -0.004 0.000 2.841 832 N HA 0.102 4.846 4.740 0.007 0.000 0.257 832 N C -2.116 173.394 175.510 -0.001 0.000 1.396 832 N CA -1.432 51.617 53.050 -0.001 0.000 0.823 832 N CB 1.658 40.143 38.487 -0.003 0.000 1.162 832 N HN -0.206 nan 8.380 nan 0.000 0.503 833 P HA -0.121 nan 4.420 nan 0.000 0.219 833 P C 1.088 178.396 177.300 0.014 0.000 1.146 833 P CA 0.825 63.930 63.100 0.007 0.000 0.808 833 P CB 0.198 31.905 31.700 0.011 0.000 0.779 834 A N -0.003 122.828 122.820 0.017 0.000 2.225 834 A HA 0.055 4.380 4.320 0.007 0.000 0.215 834 A C 2.279 179.885 177.584 0.037 0.000 1.164 834 A CA 1.486 53.540 52.037 0.029 0.000 0.710 834 A CB -1.443 17.573 19.000 0.026 0.000 0.780 834 A HN 0.337 nan 8.150 nan 0.000 0.473 835 G N -1.489 107.320 108.800 0.015 0.000 3.088 835 G HA2 0.142 4.106 3.960 0.007 0.000 0.217 835 G HA3 0.142 4.106 3.960 0.007 0.000 0.217 835 G C 0.607 175.484 174.900 -0.038 0.000 1.159 835 G CA 0.064 45.163 45.100 -0.003 0.000 0.760 835 G HN 0.576 nan 8.290 nan 0.000 0.550 836 Q N 1.367 121.155 119.800 -0.020 0.000 2.320 836 Q HA 0.131 4.476 4.340 0.007 0.000 0.311 836 Q C 0.269 176.215 176.000 -0.091 0.000 1.083 836 Q CA 0.477 56.255 55.803 -0.040 0.000 1.001 836 Q CB 0.117 28.853 28.738 -0.003 0.000 1.074 836 Q HN 0.613 nan 8.270 nan 0.000 0.379 837 R N 2.892 123.301 120.500 -0.152 0.000 2.825 837 R HA 0.414 4.758 4.340 0.007 0.000 0.274 837 R C -1.701 174.451 176.300 -0.246 0.000 1.026 837 R CA -0.867 55.083 56.100 -0.250 0.000 0.867 837 R CB 0.592 30.586 30.300 -0.510 0.000 1.268 837 R HN 0.475 nan 8.270 nan 0.000 0.491 838 I N 2.372 122.780 120.570 -0.269 0.000 2.433 838 I HA 0.415 4.589 4.170 0.007 0.000 0.292 838 I C -0.190 175.677 176.117 -0.416 0.000 1.001 838 I CA -1.179 59.885 61.300 -0.393 0.000 1.119 838 I CB 2.019 39.691 38.000 -0.547 0.000 1.289 838 I HN 0.438 nan 8.210 nan 0.000 0.438 839 I N 6.244 126.566 120.570 -0.413 0.000 2.312 839 I HA 0.284 4.459 4.170 0.007 0.000 0.290 839 I C -0.770 175.130 176.117 -0.361 0.000 1.008 839 I CA -0.331 60.807 61.300 -0.270 0.000 1.226 839 I CB 0.672 38.567 38.000 -0.175 0.000 1.371 839 I HN 0.309 nan 8.210 nan 0.000 0.468 840 F N 5.646 125.555 119.950 -0.069 0.000 2.408 840 F HA 0.477 5.008 4.527 0.007 0.000 0.344 840 F C 0.285 176.067 175.800 -0.030 0.000 1.112 840 F CA -0.504 57.466 58.000 -0.050 0.000 1.096 840 F CB 1.382 40.355 39.000 -0.046 0.000 1.129 840 F HN 0.378 nan 8.300 nan 0.000 0.486 841 C N 2.154 121.532 119.300 0.130 0.000 2.686 841 C HA 0.639 5.103 4.460 0.007 0.000 0.318 841 C C 1.172 176.199 174.990 0.062 0.000 1.160 841 C CA -0.394 58.669 59.018 0.075 0.000 1.396 841 C CB 0.798 28.555 27.740 0.029 0.000 1.924 841 C HN 1.029 nan 8.230 nan 0.000 0.471 842 G N 2.725 111.555 108.800 0.051 0.000 2.920 842 G HA2 0.445 4.409 3.960 0.007 0.000 0.208 842 G HA3 0.445 4.409 3.960 0.007 0.000 0.208 842 G C 0.592 175.507 174.900 0.025 0.000 1.159 842 G CA 0.798 45.920 45.100 0.036 0.000 0.784 842 G HN 1.215 nan 8.290 nan 0.000 0.535 843 G N -0.575 108.239 108.800 0.023 0.000 3.015 843 G HA2 0.462 4.426 3.960 0.007 0.000 0.281 843 G HA3 0.462 4.426 3.960 0.007 0.000 0.281 843 G C 0.565 175.473 174.900 0.014 0.000 1.386 843 G CA 0.117 45.226 45.100 0.016 0.000 0.959 843 G HN 0.126 nan 8.290 nan 0.000 0.522 844 E N -1.126 119.081 120.200 0.011 0.000 2.427 844 E HA 0.224 4.578 4.350 0.007 0.000 0.196 844 E C 0.866 177.471 176.600 0.009 0.000 1.028 844 E CA 0.523 56.930 56.400 0.011 0.000 0.864 844 E CB 0.278 29.985 29.700 0.011 0.000 0.813 844 E HN 0.520 nan 8.360 nan 0.000 0.514 845 G N 0.253 109.056 108.800 0.005 0.000 2.733 845 G HA2 0.268 4.232 3.960 0.007 0.000 0.288 845 G HA3 0.268 4.232 3.960 0.007 0.000 0.288 845 G C 0.454 175.351 174.900 -0.005 0.000 1.373 845 G CA 0.026 45.127 45.100 0.001 0.000 0.895 845 G HN 0.031 nan 8.290 nan 0.000 0.479 846 T N -2.435 112.112 114.554 -0.011 0.000 3.035 846 T HA 0.068 4.422 4.350 0.007 0.000 0.268 846 T C 1.493 176.188 174.700 -0.008 0.000 1.109 846 T CA 1.057 63.145 62.100 -0.020 0.000 1.119 846 T CB -0.080 68.770 68.868 -0.030 0.000 0.900 846 T HN 0.694 nan 8.240 nan 0.000 0.503 847 S N 1.906 117.606 115.700 -0.001 0.000 2.510 847 S HA 0.224 4.699 4.470 0.007 0.000 0.279 847 S C 1.589 176.196 174.600 0.012 0.000 1.284 847 S CA -0.096 58.107 58.200 0.006 0.000 1.059 847 S CB 0.561 63.764 63.200 0.006 0.000 0.901 847 S HN 0.565 nan 8.310 nan 0.000 0.491 848 S N 3.632 119.345 115.700 0.020 0.000 2.500 848 S HA -0.109 4.365 4.470 0.007 0.000 0.239 848 S C 1.717 176.331 174.600 0.023 0.000 0.989 848 S CA 1.425 59.642 58.200 0.028 0.000 0.951 848 S CB -0.857 62.367 63.200 0.041 0.000 0.759 848 S HN 0.771 nan 8.310 nan 0.000 0.523 849 T N 2.521 117.086 114.554 0.017 0.000 2.849 849 T HA -0.091 4.263 4.350 0.007 0.000 0.270 849 T C 1.981 176.688 174.700 0.011 0.000 1.066 849 T CA 1.885 63.993 62.100 0.013 0.000 1.130 849 T CB -0.796 68.078 68.868 0.011 0.000 0.864 849 T HN 0.892 nan 8.240 nan 0.000 0.481 850 T N -1.842 112.719 114.554 0.011 0.000 3.081 850 T HA 0.470 4.824 4.350 0.007 0.000 0.255 850 T C 0.795 175.503 174.700 0.012 0.000 1.113 850 T CA 0.481 62.587 62.100 0.010 0.000 1.082 850 T CB 0.247 69.120 68.868 0.009 0.000 0.939 850 T HN 0.460 nan 8.240 nan 0.000 0.506 851 G N -0.000 108.809 108.800 0.016 0.000 2.340 851 G HA2 0.516 4.480 3.960 0.007 0.000 0.298 851 G HA3 0.516 4.480 3.960 0.007 0.000 0.298 851 G C -0.865 174.052 174.900 0.029 0.000 1.498 851 G CA -0.581 44.531 45.100 0.020 0.000 0.847 851 G HN 0.511 nan 8.290 nan 0.000 0.594 852 A N -0.150 122.689 122.820 0.031 0.000 2.520 852 A HA 0.578 4.903 4.320 0.007 0.000 0.235 852 A C 0.417 178.044 177.584 0.073 0.000 1.065 852 A CA 0.636 52.702 52.037 0.049 0.000 0.764 852 A CB 0.167 19.192 19.000 0.042 0.000 1.002 852 A HN 0.726 nan 8.150 nan 0.000 0.502 853 Q N 0.209 120.069 119.800 0.100 0.000 2.389 853 Q HA 0.651 4.995 4.340 0.007 0.000 0.277 853 Q C -1.523 174.558 176.000 0.136 0.000 1.082 853 Q CA -0.445 55.425 55.803 0.111 0.000 0.810 853 Q CB 2.530 31.319 28.738 0.085 0.000 1.374 853 Q HN 0.692 nan 8.270 nan 0.000 0.422 854 I N 1.190 121.842 120.570 0.136 0.000 2.436 854 I HA 0.374 4.548 4.170 0.007 0.000 0.289 854 I C -0.681 175.520 176.117 0.141 0.000 1.010 854 I CA -0.449 60.894 61.300 0.073 0.000 1.098 854 I CB 2.262 40.254 38.000 -0.013 0.000 1.266 854 I HN 0.472 nan 8.210 nan 0.000 0.434 855 T N 7.114 121.702 114.554 0.056 0.000 2.786 855 T HA 0.540 4.894 4.350 0.007 0.000 0.283 855 T C -0.266 174.470 174.700 0.059 0.000 0.992 855 T CA -0.480 61.635 62.100 0.026 0.000 0.954 855 T CB 0.843 69.690 68.868 -0.035 0.000 0.934 855 T HN 0.260 nan 8.240 nan 0.000 0.440 856 L N 4.060 125.314 121.223 0.052 0.000 2.265 856 L HA 0.470 4.814 4.340 0.007 0.000 0.289 856 L C -0.641 176.246 176.870 0.028 0.000 1.033 856 L CA -0.982 53.918 54.840 0.100 0.000 0.814 856 L CB 0.460 42.603 42.059 0.141 0.000 1.203 856 L HN 0.643 nan 8.230 nan 0.000 0.423 857 Y N 1.275 121.569 120.300 -0.009 0.000 2.308 857 Y HA 0.403 4.958 4.550 0.007 0.000 0.329 857 Y C 1.228 177.129 175.900 0.003 0.000 1.111 857 Y CA -0.435 57.660 58.100 -0.008 0.000 1.179 857 Y CB 1.504 39.958 38.460 -0.010 0.000 1.201 857 Y HN 0.643 nan 8.280 nan 0.000 0.483 858 G N 0.667 109.533 108.800 0.111 0.000 2.606 858 G HA2 0.310 4.275 3.960 0.007 0.000 0.252 858 G HA3 0.310 4.275 3.960 0.007 0.000 0.252 858 G C 0.821 175.776 174.900 0.090 0.000 1.206 858 G CA -0.097 45.052 45.100 0.082 0.000 0.861 858 G HN 0.884 nan 8.290 nan 0.000 0.561 859 A N 0.605 123.466 122.820 0.068 0.000 1.978 859 A HA -0.127 4.198 4.320 0.007 0.000 0.220 859 A C 2.058 179.671 177.584 0.048 0.000 1.170 859 A CA 1.861 53.930 52.037 0.054 0.000 0.636 859 A CB -0.441 18.585 19.000 0.043 0.000 0.810 859 A HN 0.683 nan 8.150 nan 0.000 0.448 860 N N 0.188 118.916 118.700 0.047 0.000 2.515 860 N HA -0.028 4.716 4.740 0.007 0.000 0.185 860 N C 0.632 176.171 175.510 0.048 0.000 1.109 860 N CA 0.021 53.095 53.050 0.039 0.000 0.903 860 N CB -0.125 38.380 38.487 0.031 0.000 0.969 860 N HN 0.468 nan 8.380 nan 0.000 0.450 861 N N 0.647 119.391 118.700 0.073 0.000 2.441 861 N HA -0.019 4.725 4.740 0.007 0.000 0.251 861 N C 0.738 176.295 175.510 0.079 0.000 1.242 861 N CA 0.472 53.584 53.050 0.103 0.000 0.898 861 N CB 0.778 39.393 38.487 0.213 0.000 1.100 861 N HN -0.019 nan 8.380 nan 0.000 0.443 862 T N 1.029 115.627 114.554 0.074 0.000 2.653 862 T HA -0.165 4.189 4.350 0.007 0.000 0.268 862 T C -0.131 174.582 174.700 0.022 0.000 1.035 862 T CA 1.285 63.411 62.100 0.044 0.000 1.154 862 T CB -0.187 68.706 68.868 0.042 0.000 0.862 862 T HN 0.547 nan 8.240 nan 0.000 0.441 863 D N 2.379 122.790 120.400 0.018 0.000 2.522 863 D HA 0.210 4.854 4.640 0.007 0.000 0.218 863 D C -0.310 175.958 176.300 -0.053 0.000 1.149 863 D CA 0.063 54.012 54.000 -0.085 0.000 0.981 863 D CB 0.510 41.143 40.800 -0.280 0.000 1.041 863 D HN 0.116 nan 8.370 nan 0.000 0.518 864 S N 1.791 117.485 115.700 -0.011 0.000 2.546 864 S HA -0.072 4.403 4.470 0.007 0.000 0.290 864 S C 0.990 175.598 174.600 0.013 0.000 1.262 864 S CA -0.031 58.182 58.200 0.021 0.000 1.083 864 S CB 0.004 63.213 63.200 0.015 0.000 0.859 864 S HN 0.469 nan 8.310 nan 0.000 0.495 865 R N 0.771 121.306 120.500 0.059 0.000 3.758 865 R HA -0.201 4.143 4.340 0.007 0.000 0.299 865 R C 0.255 176.569 176.300 0.024 0.000 1.182 865 R CA 0.898 57.033 56.100 0.059 0.000 0.809 865 R CB -1.654 28.667 30.300 0.035 0.000 1.249 865 R HN 0.731 nan 8.270 nan 0.000 0.497 866 R N 1.413 121.882 120.500 -0.052 0.000 2.590 866 R HA 0.270 4.615 4.340 0.007 0.000 0.274 866 R C -0.078 176.211 176.300 -0.019 0.000 1.061 866 R CA 0.232 56.209 56.100 -0.205 0.000 1.081 866 R CB 0.496 30.355 30.300 -0.734 0.000 0.984 866 R HN 0.182 nan 8.270 nan 0.000 0.448 867 I N 4.344 124.894 120.570 -0.034 0.000 2.433 867 I HA 0.256 4.431 4.170 0.007 0.000 0.292 867 I C -0.751 175.312 176.117 -0.090 0.000 1.001 867 I CA -1.092 60.170 61.300 -0.065 0.000 1.119 867 I CB 2.176 40.032 38.000 -0.240 0.000 1.289 867 I HN 0.319 nan 8.210 nan 0.000 0.438 868 V N 6.849 126.746 119.914 -0.029 0.000 2.357 868 V HA 0.326 4.450 4.120 0.007 0.000 0.284 868 V C -0.890 175.187 176.094 -0.028 0.000 1.018 868 V CA -0.620 61.706 62.300 0.044 0.000 0.841 868 V CB 0.991 32.903 31.823 0.149 0.000 0.991 868 V HN 0.423 nan 8.190 nan 0.000 0.437 869 Y N 3.315 123.679 120.300 0.106 0.000 2.367 869 Y HA 0.413 4.967 4.550 0.007 0.000 0.342 869 Y C 0.593 176.651 175.900 0.263 0.000 0.979 869 Y CA -0.285 57.896 58.100 0.134 0.000 1.161 869 Y CB 0.818 39.279 38.460 0.002 0.000 1.155 869 Y HN 0.606 nan 8.280 nan 0.000 0.503 870 N N 2.693 121.622 118.700 0.382 0.000 2.573 870 N HA 0.594 5.338 4.740 0.007 0.000 0.262 870 N C -0.713 174.905 175.510 0.181 0.000 1.029 870 N CA -0.268 52.950 53.050 0.280 0.000 0.882 870 N CB 0.752 39.340 38.487 0.169 0.000 1.204 870 N HN 0.922 nan 8.380 nan 0.000 0.519 871 G N 1.100 109.928 108.800 0.047 0.000 2.708 871 G HA2 0.151 4.115 3.960 0.007 0.000 0.289 871 G HA3 0.151 4.115 3.960 0.007 0.000 0.289 871 G C -0.413 174.366 174.900 -0.202 0.000 1.416 871 G CA -0.338 44.700 45.100 -0.104 0.000 0.829 871 G HN 0.393 nan 8.290 nan 0.000 0.480 872 D N -0.291 120.027 120.400 -0.137 0.000 2.348 872 D HA 0.157 4.801 4.640 0.007 0.000 0.211 872 D C 0.315 176.533 176.300 -0.138 0.000 0.998 872 D CA 0.902 54.838 54.000 -0.107 0.000 0.873 872 D CB 0.676 41.444 40.800 -0.052 0.000 0.925 872 D HN 0.481 nan 8.370 nan 0.000 0.524 873 E N -0.252 119.829 120.200 -0.198 0.000 2.308 873 E HA 0.238 4.593 4.350 0.007 0.000 0.275 873 E C -0.918 175.537 176.600 -0.242 0.000 0.890 873 E CA -0.646 55.655 56.400 -0.164 0.000 0.754 873 E CB 1.948 31.606 29.700 -0.070 0.000 1.207 873 E HN 0.043 nan 8.360 nan 0.000 0.426 874 H N 2.975 122.078 119.070 0.055 0.000 2.718 874 H HA 0.355 4.915 4.556 0.007 0.000 0.295 874 H C -0.777 174.596 175.328 0.075 0.000 1.051 874 H CA -0.382 55.702 56.048 0.060 0.000 1.260 874 H CB 0.497 30.350 29.762 0.153 0.000 1.403 874 H HN 0.299 nan 8.280 nan 0.000 0.488 875 L N 3.978 125.244 121.223 0.071 0.000 2.319 875 L HA 0.340 4.684 4.340 0.007 0.000 0.281 875 L C -0.525 176.309 176.870 -0.059 0.000 1.005 875 L CA -0.675 54.199 54.840 0.055 0.000 0.828 875 L CB 1.150 43.212 42.059 0.006 0.000 1.227 875 L HN 0.321 nan 8.230 nan 0.000 0.415 876 F N 2.404 122.359 119.950 0.009 0.000 2.334 876 F HA 0.337 4.869 4.527 0.007 0.000 0.367 876 F C 0.562 176.358 175.800 -0.006 0.000 1.115 876 F CA -0.136 57.861 58.000 -0.005 0.000 1.116 876 F CB 1.279 40.265 39.000 -0.023 0.000 1.230 876 F HN 0.476 nan 8.300 nan 0.000 0.484 877 Q N 1.664 121.506 119.800 0.070 0.000 2.222 877 Q HA 0.361 4.706 4.340 0.007 0.000 0.252 877 Q C 0.669 176.704 176.000 0.057 0.000 0.926 877 Q CA 0.046 55.876 55.803 0.046 0.000 0.899 877 Q CB 1.321 30.060 28.738 0.001 0.000 1.250 877 Q HN 0.852 nan 8.270 nan 0.000 0.441 878 S N -0.542 115.185 115.700 0.045 0.000 2.608 878 S HA -0.269 4.205 4.470 0.007 0.000 0.256 878 S C -0.364 174.261 174.600 0.042 0.000 1.270 878 S CA 1.167 59.389 58.200 0.036 0.000 1.465 878 S CB -1.350 61.866 63.200 0.027 0.000 1.833 878 S HN 0.947 nan 8.310 nan 0.000 0.641 879 A N 0.441 123.299 122.820 0.064 0.000 2.609 879 A HA 0.622 4.946 4.320 0.007 0.000 0.291 879 A C -1.371 176.242 177.584 0.048 0.000 1.096 879 A CA -0.712 51.356 52.037 0.051 0.000 0.684 879 A CB 0.852 19.884 19.000 0.053 0.000 1.282 879 A HN 0.111 nan 8.150 nan 0.000 0.412 880 D N 0.488 120.896 120.400 0.013 0.000 2.423 880 D HA 0.283 4.927 4.640 0.007 0.000 0.238 880 D C -0.144 176.127 176.300 -0.050 0.000 1.142 880 D CA 0.300 54.287 54.000 -0.022 0.000 0.884 880 D CB 0.996 41.777 40.800 -0.031 0.000 1.199 880 D HN 0.156 nan 8.370 nan 0.000 0.438 881 V N 2.877 122.710 119.914 -0.135 0.000 2.368 881 V HA 0.152 4.276 4.120 0.007 0.000 0.266 881 V C 0.570 176.561 176.094 -0.171 0.000 1.045 881 V CA -0.005 62.140 62.300 -0.258 0.000 0.899 881 V CB 0.332 31.851 31.823 -0.506 0.000 1.006 881 V HN 0.298 nan 8.190 nan 0.000 0.470 882 K N 5.347 125.678 120.400 -0.115 0.000 2.385 882 K HA 0.642 4.967 4.320 0.007 0.000 0.248 882 K C -2.471 174.112 176.600 -0.029 0.000 0.955 882 K CA -1.564 54.684 56.287 -0.064 0.000 0.816 882 K CB 2.444 34.919 32.500 -0.040 0.000 1.250 882 K HN 0.495 nan 8.250 nan 0.000 0.434 883 P HA 0.096 nan 4.420 nan 0.000 0.282 883 P C 0.002 177.349 177.300 0.078 0.000 1.249 883 P CA -0.360 62.764 63.100 0.040 0.000 0.806 883 P CB 0.657 32.373 31.700 0.028 0.000 0.984 884 Y N 2.601 122.900 120.300 -0.002 0.000 2.181 884 Y HA -0.172 4.382 4.550 0.007 0.000 0.288 884 Y C 0.653 176.553 175.900 0.001 0.000 1.146 884 Y CA 1.578 59.680 58.100 0.003 0.000 1.164 884 Y CB 0.009 38.475 38.460 0.011 0.000 0.982 884 Y HN 0.453 nan 8.280 nan 0.000 0.515 885 N N -0.511 118.284 118.700 0.157 0.000 2.518 885 N HA 0.177 4.922 4.740 0.007 0.000 0.284 885 N C -1.694 173.829 175.510 0.022 0.000 1.230 885 N CA -0.707 52.385 53.050 0.069 0.000 0.941 885 N CB 0.828 39.392 38.487 0.129 0.000 1.219 885 N HN -0.050 nan 8.380 nan 0.000 0.560 886 D N 0.201 120.604 120.400 0.005 0.000 2.317 886 D HA 0.243 4.888 4.640 0.007 0.000 0.234 886 D C -0.667 175.636 176.300 0.005 0.000 1.112 886 D CA 0.067 54.065 54.000 -0.005 0.000 0.840 886 D CB 0.105 40.895 40.800 -0.016 0.000 1.078 886 D HN 0.497 nan 8.370 nan 0.000 0.486 887 N N 2.995 121.698 118.700 0.004 0.000 2.783 887 N HA -0.168 4.577 4.740 0.007 0.000 0.247 887 N C -0.466 175.051 175.510 0.013 0.000 1.089 887 N CA 0.932 53.985 53.050 0.006 0.000 0.690 887 N CB -1.039 37.449 38.487 0.002 0.000 0.991 887 N HN 0.244 nan 8.380 nan 0.000 0.552 888 V N -1.998 117.928 119.914 0.020 0.000 3.159 888 V HA 0.239 4.363 4.120 0.007 0.000 0.234 888 V C 1.015 177.125 176.094 0.026 0.000 1.313 888 V CA 1.348 63.664 62.300 0.026 0.000 1.271 888 V CB 0.765 32.611 31.823 0.040 0.000 1.053 888 V HN 0.585 nan 8.190 nan 0.000 0.476 889 T N -0.834 113.737 114.554 0.029 0.000 2.932 889 T HA 0.874 5.229 4.350 0.007 0.000 0.289 889 T C -0.364 174.351 174.700 0.024 0.000 1.039 889 T CA -0.050 62.067 62.100 0.028 0.000 1.024 889 T CB 2.485 71.374 68.868 0.036 0.000 1.090 889 T HN 0.389 nan 8.240 nan 0.000 0.496 890 A N 1.218 124.055 122.820 0.029 0.000 2.312 890 A HA 0.844 5.168 4.320 0.007 0.000 0.310 890 A C -0.745 176.873 177.584 0.057 0.000 1.139 890 A CA -1.159 50.898 52.037 0.035 0.000 0.886 890 A CB 0.763 19.784 19.000 0.034 0.000 1.350 890 A HN 0.859 nan 8.150 nan 0.000 0.479 891 L N 1.210 122.481 121.223 0.080 0.000 2.265 891 L HA 0.584 4.928 4.340 0.007 0.000 0.289 891 L C 0.899 177.915 176.870 0.244 0.000 1.033 891 L CA 0.601 55.548 54.840 0.178 0.000 0.814 891 L CB 0.750 42.870 42.059 0.101 0.000 1.203 891 L HN 1.369 nan 8.230 nan 0.000 0.423 892 G N 2.598 111.535 108.800 0.227 0.000 2.693 892 G HA2 0.169 4.133 3.960 0.007 0.000 0.226 892 G HA3 0.169 4.133 3.960 0.007 0.000 0.226 892 G C -0.261 174.642 174.900 0.005 0.000 1.354 892 G CA -0.436 44.681 45.100 0.029 0.000 0.873 892 G HN 1.087 nan 8.290 nan 0.000 0.562 893 G N -2.298 106.484 108.800 -0.030 0.000 2.623 893 G HA2 0.786 4.751 3.960 0.007 0.000 0.290 893 G HA3 0.786 4.751 3.960 0.007 0.000 0.290 893 G C -1.641 173.245 174.900 -0.023 0.000 1.437 893 G CA 0.450 45.539 45.100 -0.019 0.000 0.798 893 G HN 0.667 nan 8.290 nan 0.000 0.488 894 P HA -0.074 nan 4.420 nan 0.000 0.217 894 P C 1.384 178.672 177.300 -0.022 0.000 1.148 894 P CA 1.545 64.637 63.100 -0.013 0.000 0.834 894 P CB 0.267 31.962 31.700 -0.009 0.000 0.783 895 S N -1.868 113.814 115.700 -0.031 0.000 2.539 895 S HA 0.133 4.607 4.470 0.007 0.000 0.221 895 S C 0.347 174.914 174.600 -0.055 0.000 0.987 895 S CA -0.197 57.982 58.200 -0.035 0.000 0.929 895 S CB -0.297 62.886 63.200 -0.029 0.000 0.832 895 S HN 0.210 nan 8.310 nan 0.000 0.492 896 N N 1.731 120.385 118.700 -0.077 0.000 2.733 896 N HA 0.309 5.053 4.740 0.007 0.000 0.271 896 N C -0.960 174.437 175.510 -0.189 0.000 1.720 896 N CA -0.363 52.605 53.050 -0.137 0.000 0.803 896 N CB 0.729 39.123 38.487 -0.155 0.000 1.208 896 N HN 0.005 nan 8.380 nan 0.000 0.498 897 R N 0.257 120.682 120.500 -0.125 0.000 2.441 897 R HA 0.363 4.707 4.340 0.007 0.000 0.284 897 R C -0.442 175.786 176.300 -0.120 0.000 1.070 897 R CA -0.264 55.787 56.100 -0.081 0.000 1.047 897 R CB 0.566 30.862 30.300 -0.007 0.000 1.016 897 R HN 0.228 nan 8.270 nan 0.000 0.477 898 F N 0.889 120.846 119.950 0.011 0.000 2.443 898 F HA -0.004 4.527 4.527 0.007 0.000 0.353 898 F C 2.061 177.873 175.800 0.020 0.000 1.101 898 F CA 0.254 58.267 58.000 0.021 0.000 1.226 898 F CB 1.128 40.139 39.000 0.018 0.000 1.140 898 F HN 0.709 nan 8.300 nan 0.000 0.557 899 T N -1.443 113.243 114.554 0.220 0.000 2.699 899 T HA -0.134 4.221 4.350 0.007 0.000 0.268 899 T C 0.791 175.549 174.700 0.097 0.000 1.036 899 T CA 1.754 63.933 62.100 0.132 0.000 1.147 899 T CB -0.231 68.715 68.868 0.129 0.000 0.862 899 T HN 0.680 nan 8.240 nan 0.000 0.446 900 T N -0.778 113.842 114.554 0.110 0.000 2.658 900 T HA 0.562 4.917 4.350 0.007 0.000 0.305 900 T C -2.343 172.348 174.700 -0.015 0.000 1.551 900 T CA -0.292 61.808 62.100 0.000 0.000 0.985 900 T CB 1.000 69.788 68.868 -0.133 0.000 1.731 900 T HN 0.765 nan 8.240 nan 0.000 0.486 901 A N 1.353 124.106 122.820 -0.111 0.000 2.353 901 A HA 0.715 5.040 4.320 0.007 0.000 0.299 901 A C -1.846 175.652 177.584 -0.144 0.000 1.089 901 A CA -0.436 51.544 52.037 -0.094 0.000 0.736 901 A CB 0.657 19.591 19.000 -0.110 0.000 1.195 901 A HN 0.676 nan 8.150 nan 0.000 0.447 902 Y N 2.741 123.007 120.300 -0.058 0.000 2.504 902 Y HA 0.489 5.043 4.550 0.007 0.000 0.351 902 Y C 0.144 176.016 175.900 -0.046 0.000 0.988 902 Y CA 0.216 58.293 58.100 -0.039 0.000 1.239 902 Y CB 0.529 38.972 38.460 -0.027 0.000 1.128 902 Y HN 0.505 nan 8.280 nan 0.000 0.525 903 L N 1.153 122.406 121.223 0.049 0.000 2.341 903 L HA 0.574 4.919 4.340 0.007 0.000 0.267 903 L C 1.224 178.109 176.870 0.026 0.000 1.009 903 L CA -0.813 54.040 54.840 0.022 0.000 0.819 903 L CB 2.049 44.098 42.059 -0.017 0.000 1.323 903 L HN 0.690 nan 8.230 nan 0.000 0.425 904 G N -0.061 108.750 108.800 0.017 0.000 2.985 904 G HA2 0.175 4.139 3.960 0.007 0.000 0.209 904 G HA3 0.175 4.139 3.960 0.007 0.000 0.209 904 G C 0.268 175.169 174.900 0.002 0.000 1.165 904 G CA 0.670 45.779 45.100 0.014 0.000 0.776 904 G HN 0.595 nan 8.290 nan 0.000 0.541 905 S N -0.806 114.891 115.700 -0.006 0.000 2.578 905 S HA 0.340 4.814 4.470 0.007 0.000 0.272 905 S C -1.030 173.560 174.600 -0.018 0.000 1.145 905 S CA -1.065 57.129 58.200 -0.011 0.000 0.835 905 S CB 1.051 64.245 63.200 -0.009 0.000 1.104 905 S HN -0.006 nan 8.310 nan 0.000 0.458 906 N N 1.767 120.456 118.700 -0.019 0.000 2.329 906 N HA 0.235 4.980 4.740 0.007 0.000 0.237 906 N C -2.525 172.971 175.510 -0.024 0.000 1.258 906 N CA -0.372 52.664 53.050 -0.023 0.000 0.866 906 N CB -0.736 37.740 38.487 -0.019 0.000 1.102 906 N HN 0.521 nan 8.380 nan 0.000 0.440 907 P HA 0.105 nan 4.420 nan 0.000 0.266 907 P C -0.110 177.177 177.300 -0.022 0.000 1.195 907 P CA 0.229 63.312 63.100 -0.027 0.000 0.768 907 P CB 0.460 32.143 31.700 -0.028 0.000 0.838 908 I N 3.174 123.731 120.570 -0.022 0.000 2.269 908 I HA 0.137 4.311 4.170 0.007 0.000 0.293 908 I C 0.397 176.503 176.117 -0.018 0.000 1.106 908 I CA -0.572 60.717 61.300 -0.019 0.000 1.248 908 I CB 0.502 38.491 38.000 -0.019 0.000 1.444 908 I HN 0.104 nan 8.210 nan 0.000 0.497 909 V N 5.550 125.455 119.914 -0.015 0.000 2.472 909 V HA 0.669 4.794 4.120 0.007 0.000 0.290 909 V C -0.257 175.830 176.094 -0.011 0.000 1.037 909 V CA 0.430 62.722 62.300 -0.013 0.000 0.908 909 V CB 1.852 33.668 31.823 -0.012 0.000 0.985 909 V HN 0.728 nan 8.190 nan 0.000 0.454 910 T N 0.000 114.548 114.554 -0.011 0.000 3.816 910 T HA 0.000 4.354 4.350 0.007 0.000 0.228 910 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 910 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658