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 3o3c_1_A DATA FIRST_RESID 2 DATA SEQUENCE SRDLQNHLLF ETATEVANRV GGIYSVLKSK APITVAQYKD HYHLIGPLNK DATA SEQUENCE ATYQNEVDIL DWKKPEAFSD EMRPVQHALQ TMESRGVHFV YGRWLIEGAP DATA SEQUENCE KVILFDLDSV RGYSNEWKGD LWSLVGIPSP ENDFETNDAI LLGYTVAWFL DATA SEQUENCE GEVAHLDSQH AIVAHFHEWL AGVALPLCRK RRIDVVTIFT THATLLGRYL DATA SEQUENCE CASGXXDFYN CLESVDVDHE AGRFGIYHRY CIERAAAHSA DVFTTVSQIT DATA SEQUENCE AFEAEHLLKR KPDGILPNGL NVIKFQXXXX XXXLHALKKE KINDFVRGHF DATA SEQUENCE HGCFDFDLDN TLYFFIAGRY EYKNKGADMF IEALARLNYR LKVSGSKKTV DATA SEQUENCE VAFIVMPAKN NSFTVEALKG QAEVRALENT VHEVTTSIGK RIFDHAIRYP DATA SEQUENCE XXXXXXXXXX XXXELLKSSD KVMLKRRILA LRRPEGQLPP IVTHNMVDDA DATA SEQUENCE NDLILNKIRQ VQLFNSPSDR VKMIFHPEFL NANNPILGLD YDEFVRGCHL DATA SEQUENCE GVFPSYYEPW GYTPAECTVM GVPSITTNVS GFGSYMEDLX XXXXAKDYGI DATA SEQUENCE YIVDRRFKAP DESVEQLVDY MEEFVKKTAA QAINQRNRTE RLSDLLDWKR DATA SEQUENCE MGLEYVKARQ LALRRGYPDQ FRELVGEELN DSNMDALA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.536 174.600 -0.107 0.000 1.055 2 S CA 0.000 58.140 58.200 -0.100 0.000 1.107 2 S CB 0.000 63.156 63.200 -0.073 0.000 0.593 3 R N 0.866 121.267 120.500 -0.165 0.000 2.720 3 R HA 0.503 4.843 4.340 -0.001 0.000 0.272 3 R C -1.079 175.184 176.300 -0.063 0.000 0.991 3 R CA -0.986 55.041 56.100 -0.121 0.000 1.010 3 R CB 0.776 30.984 30.300 -0.153 0.000 1.141 3 R HN 0.447 nan 8.270 nan 0.000 0.494 4 D N 2.058 122.466 120.400 0.013 0.000 2.411 4 D HA 0.092 4.732 4.640 -0.001 0.000 0.225 4 D C 1.047 177.447 176.300 0.168 0.000 1.156 4 D CA -0.086 53.957 54.000 0.072 0.000 0.874 4 D CB 0.752 41.597 40.800 0.075 0.000 1.034 4 D HN 0.403 nan 8.370 nan 0.000 0.502 5 L N 2.473 123.789 121.223 0.155 0.000 2.093 5 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 5 L C 2.117 179.157 176.870 0.284 0.000 1.085 5 L CA 0.762 55.741 54.840 0.231 0.000 0.755 5 L CB -0.391 41.803 42.059 0.225 0.000 0.904 5 L HN 0.430 nan 8.230 nan 0.000 0.435 6 Q N 1.648 121.564 119.800 0.195 0.000 1.956 6 Q HA -0.202 4.138 4.340 -0.001 0.000 0.208 6 Q C 0.996 177.141 176.000 0.242 0.000 0.998 6 Q CA 1.737 57.645 55.803 0.175 0.000 0.855 6 Q CB -0.277 28.513 28.738 0.087 0.000 0.928 6 Q HN 0.504 nan 8.270 nan 0.000 0.418 7 N N 0.690 119.518 118.700 0.213 0.000 2.558 7 N HA 0.172 4.912 4.740 -0.001 0.000 0.233 7 N C -1.177 174.551 175.510 0.363 0.000 1.038 7 N CA -0.326 52.850 53.050 0.210 0.000 0.934 7 N CB 0.185 38.791 38.487 0.199 0.000 1.175 7 N HN 0.417 nan 8.380 nan 0.000 0.512 8 H N 1.014 120.268 119.070 0.307 0.000 2.896 8 H HA 0.718 5.273 4.556 -0.000 0.000 0.318 8 H C -1.208 174.260 175.328 0.233 0.000 1.409 8 H CA -1.217 55.009 56.048 0.296 0.000 1.328 8 H CB 0.623 30.546 29.762 0.267 0.000 1.940 8 H HN 0.218 nan 8.280 nan 0.000 0.665 9 L N 0.860 122.252 121.223 0.282 0.000 2.329 9 L HA 0.379 4.718 4.340 -0.001 0.000 0.279 9 L C -1.294 175.564 176.870 -0.019 0.000 1.014 9 L CA -0.707 54.142 54.840 0.016 0.000 0.814 9 L CB 1.729 43.755 42.059 -0.054 0.000 1.257 9 L HN 0.626 nan 8.230 nan 0.000 0.424 10 L N 4.018 125.065 121.223 -0.292 0.000 2.349 10 L HA 0.614 4.954 4.340 -0.001 0.000 0.278 10 L C -1.569 175.042 176.870 -0.432 0.000 0.996 10 L CA -0.022 54.659 54.840 -0.266 0.000 0.825 10 L CB 0.957 42.751 42.059 -0.442 0.000 1.243 10 L HN 0.294 nan 8.230 nan 0.000 0.412 11 F N 3.494 123.482 119.950 0.063 0.000 2.434 11 F HA 0.454 4.981 4.527 -0.001 0.000 0.355 11 F C 0.305 176.045 175.800 -0.099 0.000 1.115 11 F CA -0.561 57.429 58.000 -0.015 0.000 1.010 11 F CB 1.396 40.407 39.000 0.019 0.000 1.234 11 F HN 0.460 nan 8.300 nan 0.000 0.439 12 E N 2.019 122.248 120.200 0.049 0.000 2.146 12 E HA 0.470 4.820 4.350 -0.001 0.000 0.282 12 E C -0.936 175.625 176.600 -0.066 0.000 0.989 12 E CA -0.346 56.062 56.400 0.013 0.000 0.799 12 E CB 1.056 30.848 29.700 0.154 0.000 1.088 12 E HN 0.495 nan 8.360 nan 0.000 0.397 13 T N 2.381 116.836 114.554 -0.165 0.000 2.812 13 T HA 0.735 5.085 4.350 -0.001 0.000 0.282 13 T C -0.992 173.741 174.700 0.055 0.000 0.990 13 T CA -0.604 61.428 62.100 -0.114 0.000 0.960 13 T CB 1.480 70.193 68.868 -0.257 0.000 0.948 13 T HN 0.509 nan 8.240 nan 0.000 0.438 14 A N 1.897 124.750 122.820 0.055 0.000 2.606 14 A HA 0.666 4.986 4.320 -0.001 0.000 0.293 14 A C 0.975 178.561 177.584 0.004 0.000 1.082 14 A CA -0.802 51.284 52.037 0.083 0.000 0.685 14 A CB 0.648 19.710 19.000 0.104 0.000 1.284 14 A HN 0.614 nan 8.150 nan 0.000 0.408 15 T N 0.247 114.797 114.554 -0.007 0.000 2.929 15 T HA -0.086 4.264 4.350 -0.001 0.000 0.271 15 T C 1.189 175.857 174.700 -0.053 0.000 1.085 15 T CA 2.316 64.392 62.100 -0.040 0.000 1.125 15 T CB -0.074 68.752 68.868 -0.070 0.000 0.874 15 T HN 0.691 nan 8.240 nan 0.000 0.494 16 E N 0.665 120.833 120.200 -0.053 0.000 2.385 16 E HA 0.053 4.403 4.350 -0.001 0.000 0.194 16 E C 2.176 178.688 176.600 -0.147 0.000 1.013 16 E CA 0.120 56.502 56.400 -0.029 0.000 0.866 16 E CB -0.477 29.247 29.700 0.039 0.000 0.832 16 E HN 0.409 nan 8.360 nan 0.000 0.500 17 V N 0.405 120.149 119.914 -0.283 0.000 2.289 17 V HA -0.398 3.722 4.120 -0.001 0.000 0.250 17 V C 1.651 177.051 176.094 -1.156 0.000 1.034 17 V CA 2.066 63.983 62.300 -0.639 0.000 1.093 17 V CB -1.312 30.204 31.823 -0.512 0.000 0.742 17 V HN 0.302 nan 8.190 nan 0.000 0.491 18 A N 2.349 124.670 122.820 -0.832 0.000 3.003 18 A HA 0.604 4.923 4.320 -0.001 0.000 0.301 18 A C 0.311 177.798 177.584 -0.161 0.000 1.280 18 A CA 0.159 51.698 52.037 -0.830 0.000 0.973 18 A CB -1.340 17.226 19.000 -0.723 0.000 1.110 18 A HN 1.150 nan 8.150 nan 0.000 0.590 19 N N -1.513 117.211 118.700 0.040 0.000 2.578 19 N HA 0.222 4.962 4.740 -0.001 0.000 0.282 19 N C -0.802 174.821 175.510 0.187 0.000 1.119 19 N CA -0.716 52.421 53.050 0.145 0.000 0.948 19 N CB 0.840 39.346 38.487 0.033 0.000 1.546 19 N HN 0.154 nan 8.380 nan 0.000 0.525 20 R N 2.362 122.797 120.500 -0.108 0.000 2.446 20 R HA 0.131 4.471 4.340 -0.001 0.000 0.325 20 R C -0.449 175.761 176.300 -0.150 0.000 0.997 20 R CA 0.244 56.079 56.100 -0.442 0.000 1.010 20 R CB 0.299 30.102 30.300 -0.829 0.000 0.946 20 R HN 0.685 nan 8.270 nan 0.000 0.422 21 V N 3.144 123.027 119.914 -0.050 0.000 3.245 21 V HA 0.256 4.376 4.120 -0.001 0.000 0.246 21 V C 0.813 176.902 176.094 -0.009 0.000 1.487 21 V CA 0.707 62.992 62.300 -0.025 0.000 1.154 21 V CB 0.937 32.757 31.823 -0.005 0.000 0.971 21 V HN 0.861 nan 8.190 nan 0.000 0.443 22 G N -0.718 108.088 108.800 0.012 0.000 3.209 22 G HA2 0.519 4.479 3.960 -0.001 0.000 0.236 22 G HA3 0.519 4.479 3.960 -0.001 0.000 0.236 22 G C 0.732 175.658 174.900 0.043 0.000 1.329 22 G CA 0.288 45.402 45.100 0.023 0.000 1.015 22 G HN 0.218 nan 8.290 nan 0.000 0.571 23 G N -0.923 107.909 108.800 0.054 0.000 2.838 23 G HA2 0.102 4.061 3.960 -0.001 0.000 0.210 23 G HA3 0.102 4.061 3.960 -0.001 0.000 0.210 23 G C 1.450 176.400 174.900 0.084 0.000 1.153 23 G CA 0.082 45.239 45.100 0.094 0.000 0.778 23 G HN 0.422 nan 8.290 nan 0.000 0.539 24 I N -0.181 120.375 120.570 -0.023 0.000 2.286 24 I HA -0.202 3.968 4.170 -0.001 0.000 0.248 24 I C 2.349 178.474 176.117 0.012 0.000 1.115 24 I CA 1.067 62.280 61.300 -0.145 0.000 1.392 24 I CB -0.336 37.493 38.000 -0.284 0.000 1.065 24 I HN 0.281 nan 8.210 nan 0.000 0.418 25 Y N 1.981 122.262 120.300 -0.032 0.000 2.062 25 Y HA -0.399 4.150 4.550 -0.001 0.000 0.276 25 Y C 2.854 178.802 175.900 0.079 0.000 1.189 25 Y CA 2.363 60.499 58.100 0.060 0.000 1.130 25 Y CB -0.239 38.255 38.460 0.056 0.000 0.959 25 Y HN 0.069 nan 8.280 nan 0.000 0.499 26 S N -0.336 115.559 115.700 0.324 0.000 2.353 26 S HA -0.238 4.232 4.470 -0.001 0.000 0.222 26 S C 2.026 176.663 174.600 0.062 0.000 1.035 26 S CA 1.541 59.825 58.200 0.140 0.000 1.025 26 S CB -0.878 62.306 63.200 -0.027 0.000 0.902 26 S HN 0.374 nan 8.310 nan 0.000 0.440 27 V N 2.581 122.575 119.914 0.133 0.000 2.220 27 V HA -0.265 3.854 4.120 -0.001 0.000 0.250 27 V C 2.268 178.376 176.094 0.024 0.000 1.056 27 V CA 2.047 64.466 62.300 0.198 0.000 1.016 27 V CB -0.972 30.943 31.823 0.153 0.000 0.639 27 V HN 0.423 nan 8.190 nan 0.000 0.446 28 L N -0.195 120.988 121.223 -0.067 0.000 2.042 28 L HA -0.254 4.086 4.340 -0.001 0.000 0.210 28 L C 2.632 179.427 176.870 -0.126 0.000 1.076 28 L CA 2.332 57.116 54.840 -0.094 0.000 0.749 28 L CB -0.753 41.308 42.059 0.002 0.000 0.893 28 L HN 0.399 nan 8.230 nan 0.000 0.432 29 K N 0.421 120.716 120.400 -0.175 0.000 2.097 29 K HA -0.190 4.130 4.320 -0.001 0.000 0.206 29 K C 2.165 178.566 176.600 -0.332 0.000 1.049 29 K CA 1.847 57.856 56.287 -0.462 0.000 0.933 29 K CB -0.035 32.127 32.500 -0.563 0.000 0.717 29 K HN 0.376 nan 8.250 nan 0.000 0.442 30 S N -0.382 115.223 115.700 -0.157 0.000 2.528 30 S HA 0.024 4.494 4.470 -0.001 0.000 0.219 30 S C 1.694 176.147 174.600 -0.245 0.000 0.985 30 S CA 0.259 58.442 58.200 -0.028 0.000 0.914 30 S CB 0.224 63.566 63.200 0.236 0.000 0.776 30 S HN 0.316 nan 8.310 nan 0.000 0.526 31 K N 0.852 120.875 120.400 -0.627 0.000 2.379 31 K HA 0.358 4.677 4.320 -0.001 0.000 0.194 31 K C 2.060 178.215 176.600 -0.743 0.000 1.031 31 K CA 0.581 56.066 56.287 -1.336 0.000 1.037 31 K CB -0.307 31.264 32.500 -1.549 0.000 0.824 31 K HN 0.388 nan 8.250 nan 0.000 0.516 32 A N 2.357 124.909 122.820 -0.446 0.000 1.851 32 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 32 A C -0.706 176.715 177.584 -0.273 0.000 1.195 32 A CA 1.192 53.059 52.037 -0.283 0.000 0.622 32 A CB -1.515 17.344 19.000 -0.236 0.000 0.831 32 A HN 0.246 nan 8.150 nan 0.000 0.444 33 P HA -0.168 nan 4.420 nan 0.000 0.215 33 P C 1.438 178.630 177.300 -0.179 0.000 1.157 33 P CA 1.111 64.102 63.100 -0.182 0.000 0.874 33 P CB -0.065 31.550 31.700 -0.142 0.000 0.790 34 I N -0.721 119.713 120.570 -0.226 0.000 2.315 34 I HA -0.163 4.007 4.170 -0.001 0.000 0.248 34 I C 2.097 178.079 176.117 -0.225 0.000 1.117 34 I CA 2.003 63.187 61.300 -0.192 0.000 1.404 34 I CB -1.276 36.628 38.000 -0.161 0.000 1.071 34 I HN 0.034 nan 8.210 nan 0.000 0.419 35 T N -3.176 111.183 114.554 -0.325 0.000 3.014 35 T HA -0.005 4.345 4.350 -0.001 0.000 0.263 35 T C 1.913 176.448 174.700 -0.275 0.000 1.078 35 T CA 1.056 62.963 62.100 -0.323 0.000 1.135 35 T CB -0.669 67.847 68.868 -0.587 0.000 0.895 35 T HN 0.076 nan 8.240 nan 0.000 0.480 36 V N 1.943 121.717 119.914 -0.234 0.000 2.379 36 V HA 0.030 4.150 4.120 -0.001 0.000 0.245 36 V C 3.266 179.306 176.094 -0.091 0.000 1.044 36 V CA 1.477 63.723 62.300 -0.089 0.000 1.036 36 V CB -1.333 30.458 31.823 -0.053 0.000 0.664 36 V HN 0.679 nan 8.190 nan 0.000 0.453 37 A N -0.747 122.001 122.820 -0.121 0.000 1.917 37 A HA -0.343 3.976 4.320 -0.001 0.000 0.219 37 A C 2.249 179.742 177.584 -0.151 0.000 1.182 37 A CA 2.465 54.432 52.037 -0.117 0.000 0.633 37 A CB -0.510 18.424 19.000 -0.110 0.000 0.819 37 A HN 0.614 nan 8.150 nan 0.000 0.448 38 Q N -1.981 117.698 119.800 -0.202 0.000 2.033 38 Q HA -0.125 4.215 4.340 -0.001 0.000 0.196 38 Q C 1.522 177.271 176.000 -0.419 0.000 0.970 38 Q CA 1.507 57.100 55.803 -0.349 0.000 0.828 38 Q CB -0.122 28.313 28.738 -0.505 0.000 0.895 38 Q HN 0.746 nan 8.270 nan 0.000 0.440 39 Y N 0.387 120.565 120.300 -0.204 0.000 2.466 39 Y HA 0.089 4.639 4.550 -0.001 0.000 0.272 39 Y C 1.146 176.952 175.900 -0.156 0.000 1.169 39 Y CA 0.050 58.035 58.100 -0.191 0.000 1.285 39 Y CB 0.282 38.658 38.460 -0.139 0.000 1.078 39 Y HN 0.094 nan 8.280 nan 0.000 0.523 40 K N 0.241 120.627 120.400 -0.023 0.000 1.783 40 K HA -0.318 4.002 4.320 -0.001 0.000 0.115 40 K C 0.559 177.193 176.600 0.057 0.000 1.071 40 K CA 2.241 58.523 56.287 -0.010 0.000 0.377 40 K CB -1.141 31.325 32.500 -0.057 0.000 0.613 40 K HN 0.162 nan 8.250 nan 0.000 0.922 41 D N -0.493 119.960 120.400 0.087 0.000 2.319 41 D HA 0.039 4.679 4.640 -0.001 0.000 0.230 41 D C 0.799 177.219 176.300 0.200 0.000 1.094 41 D CA 0.361 54.416 54.000 0.091 0.000 0.856 41 D CB -0.055 40.804 40.800 0.099 0.000 0.915 41 D HN 0.316 nan 8.370 nan 0.000 0.517 42 H N -1.200 117.867 119.070 -0.006 0.000 2.548 42 H HA 0.051 4.607 4.556 -0.001 0.000 0.265 42 H C -0.249 175.033 175.328 -0.078 0.000 0.969 42 H CA 0.118 56.151 56.048 -0.025 0.000 1.155 42 H CB -0.141 29.598 29.762 -0.038 0.000 1.394 42 H HN 0.133 nan 8.280 nan 0.000 0.570 43 Y N 1.285 121.504 120.300 -0.134 0.000 2.331 43 Y HA 0.367 4.917 4.550 -0.001 0.000 0.338 43 Y C -0.996 174.679 175.900 -0.376 0.000 0.976 43 Y CA -1.301 56.639 58.100 -0.267 0.000 1.137 43 Y CB 0.174 38.520 38.460 -0.190 0.000 1.172 43 Y HN 0.058 nan 8.280 nan 0.000 0.478 44 H N 5.247 123.937 119.070 -0.635 0.000 2.538 44 H HA 0.506 5.062 4.556 -0.001 0.000 0.353 44 H C -1.084 173.899 175.328 -0.575 0.000 1.109 44 H CA -0.733 55.036 56.048 -0.465 0.000 1.192 44 H CB 1.702 31.507 29.762 0.071 0.000 1.555 44 H HN 0.678 nan 8.280 nan 0.000 0.518 45 L N 3.810 124.785 121.223 -0.413 0.000 2.312 45 L HA 0.442 4.782 4.340 -0.001 0.000 0.281 45 L C -0.439 176.328 176.870 -0.172 0.000 1.070 45 L CA -0.284 54.393 54.840 -0.271 0.000 0.805 45 L CB 0.791 42.713 42.059 -0.228 0.000 1.174 45 L HN 0.456 nan 8.230 nan 0.000 0.434 46 I N 1.800 122.289 120.570 -0.136 0.000 2.569 46 I HA 0.789 4.958 4.170 -0.001 0.000 0.296 46 I C 0.252 176.298 176.117 -0.118 0.000 1.028 46 I CA -0.402 60.807 61.300 -0.150 0.000 1.082 46 I CB 2.080 40.019 38.000 -0.102 0.000 1.264 46 I HN 0.673 nan 8.210 nan 0.000 0.429 47 G N 4.997 113.727 108.800 -0.116 0.000 2.550 47 G HA2 0.502 4.462 3.960 -0.001 0.000 0.293 47 G HA3 0.502 4.462 3.960 -0.001 0.000 0.293 47 G C -3.288 171.590 174.900 -0.035 0.000 1.402 47 G CA -0.828 44.228 45.100 -0.072 0.000 0.784 47 G HN 0.273 nan 8.290 nan 0.000 0.482 48 P HA 0.316 nan 4.420 nan 0.000 0.276 48 P C -0.237 177.033 177.300 -0.050 0.000 1.230 48 P CA -0.360 62.745 63.100 0.007 0.000 0.776 48 P CB 1.766 33.475 31.700 0.015 0.000 0.888 49 L N 3.608 124.795 121.223 -0.061 0.000 2.462 49 L HA 0.205 4.544 4.340 -0.001 0.000 0.272 49 L C 0.312 177.127 176.870 -0.093 0.000 1.166 49 L CA 0.305 55.065 54.840 -0.134 0.000 0.880 49 L CB -0.370 41.556 42.059 -0.222 0.000 1.142 49 L HN 0.299 nan 8.230 nan 0.000 0.473 50 N N 4.011 122.672 118.700 -0.066 0.000 2.546 50 N HA 0.171 4.911 4.740 -0.001 0.000 0.238 50 N C 0.270 175.812 175.510 0.053 0.000 0.984 50 N CA -0.198 52.851 53.050 -0.003 0.000 0.935 50 N CB 0.784 39.283 38.487 0.021 0.000 1.122 50 N HN 0.632 nan 8.380 nan 0.000 0.510 51 K N 1.723 122.135 120.400 0.020 0.000 2.585 51 K HA -0.027 4.293 4.320 -0.001 0.000 0.194 51 K C 1.089 177.815 176.600 0.210 0.000 1.037 51 K CA 0.919 57.265 56.287 0.098 0.000 0.964 51 K CB 0.218 32.734 32.500 0.027 0.000 0.787 51 K HN 0.562 nan 8.250 nan 0.000 0.488 52 A N 0.471 123.375 122.820 0.140 0.000 2.095 52 A HA -0.032 4.287 4.320 -0.001 0.000 0.212 52 A C 1.970 179.602 177.584 0.080 0.000 1.162 52 A CA 1.256 53.348 52.037 0.092 0.000 0.753 52 A CB 0.078 19.107 19.000 0.048 0.000 0.840 52 A HN 0.349 nan 8.150 nan 0.000 0.468 53 T N -4.489 110.134 114.554 0.115 0.000 2.966 53 T HA -0.001 4.348 4.350 -0.001 0.000 0.254 53 T C 1.696 176.434 174.700 0.063 0.000 0.961 53 T CA 0.699 62.837 62.100 0.064 0.000 0.915 53 T CB -0.841 68.060 68.868 0.055 0.000 1.186 53 T HN 0.546 nan 8.240 nan 0.000 0.505 54 Y N 2.067 122.358 120.300 -0.015 0.000 2.241 54 Y HA -0.032 4.518 4.550 -0.000 0.000 0.286 54 Y C 2.231 178.129 175.900 -0.005 0.000 1.166 54 Y CA 1.315 59.400 58.100 -0.026 0.000 1.203 54 Y CB -0.682 37.751 38.460 -0.045 0.000 0.977 54 Y HN 0.191 nan 8.280 nan 0.000 0.529 55 Q N 0.347 119.712 119.800 -0.724 0.000 2.436 55 Q HA -0.098 4.242 4.340 -0.001 0.000 0.209 55 Q C 0.921 176.771 176.000 -0.250 0.000 0.965 55 Q CA 0.892 56.314 55.803 -0.635 0.000 0.910 55 Q CB -0.144 28.247 28.738 -0.578 0.000 0.980 55 Q HN 0.631 nan 8.270 nan 0.000 0.491 56 N N 0.166 118.785 118.700 -0.134 0.000 2.392 56 N HA -0.019 4.721 4.740 -0.001 0.000 0.177 56 N C 0.824 176.342 175.510 0.014 0.000 1.066 56 N CA 0.598 53.618 53.050 -0.050 0.000 0.895 56 N CB 0.494 38.966 38.487 -0.025 0.000 0.988 56 N HN 0.308 nan 8.380 nan 0.000 0.457 57 E N -0.275 119.958 120.200 0.056 0.000 2.514 57 E HA 0.188 4.537 4.350 -0.001 0.000 0.215 57 E C -0.427 176.304 176.600 0.218 0.000 0.946 57 E CA 0.139 56.654 56.400 0.192 0.000 1.038 57 E CB 1.640 31.524 29.700 0.307 0.000 1.069 57 E HN -0.077 nan 8.360 nan 0.000 0.503 58 V N 2.484 122.451 119.914 0.090 0.000 2.407 58 V HA 0.121 4.240 4.120 -0.001 0.000 0.291 58 V C -0.603 175.510 176.094 0.031 0.000 1.018 58 V CA -0.973 61.377 62.300 0.084 0.000 0.842 58 V CB 1.694 33.569 31.823 0.086 0.000 0.996 58 V HN -0.021 nan 8.190 nan 0.000 0.426 59 D N 4.884 125.303 120.400 0.032 0.000 2.346 59 D HA 0.167 4.807 4.640 -0.001 0.000 0.267 59 D C 0.250 176.564 176.300 0.024 0.000 1.320 59 D CA 0.191 54.198 54.000 0.012 0.000 0.951 59 D CB 0.269 41.070 40.800 0.000 0.000 1.079 59 D HN 0.437 nan 8.370 nan 0.000 0.509 60 I N 4.106 124.700 120.570 0.040 0.000 2.648 60 I HA 0.040 4.210 4.170 -0.001 0.000 0.284 60 I C 0.395 176.570 176.117 0.096 0.000 1.153 60 I CA -0.008 61.343 61.300 0.086 0.000 1.426 60 I CB 0.501 38.565 38.000 0.105 0.000 1.381 60 I HN 0.232 nan 8.210 nan 0.000 0.571 61 L N 4.947 126.268 121.223 0.163 0.000 2.341 61 L HA 0.398 4.738 4.340 -0.001 0.000 0.267 61 L C -0.626 176.415 176.870 0.286 0.000 1.009 61 L CA -0.903 54.058 54.840 0.202 0.000 0.819 61 L CB 1.963 44.165 42.059 0.239 0.000 1.323 61 L HN 0.446 nan 8.230 nan 0.000 0.425 62 D N 1.449 121.959 120.400 0.182 0.000 2.365 62 D HA 0.098 4.738 4.640 -0.001 0.000 0.237 62 D C 0.597 176.975 176.300 0.130 0.000 1.190 62 D CA -0.317 53.735 54.000 0.087 0.000 0.867 62 D CB 0.636 41.424 40.800 -0.020 0.000 1.050 62 D HN 0.418 nan 8.370 nan 0.000 0.491 63 W N 3.650 125.029 121.300 0.131 0.000 3.256 63 W HA 0.171 4.831 4.660 -0.001 0.000 0.269 63 W C 0.414 177.021 176.519 0.147 0.000 1.310 63 W CA -0.327 57.077 57.345 0.097 0.000 1.673 63 W CB -0.237 29.206 29.460 -0.028 0.000 1.115 63 W HN 0.289 nan 8.180 nan 0.000 0.686 64 K N 1.433 121.579 120.400 -0.424 0.000 2.284 64 K HA 0.042 4.361 4.320 -0.001 0.000 0.198 64 K C 0.794 177.316 176.600 -0.130 0.000 1.048 64 K CA 0.313 56.349 56.287 -0.417 0.000 0.987 64 K CB 0.085 32.176 32.500 -0.683 0.000 0.800 64 K HN -0.074 nan 8.250 nan 0.000 0.486 65 K N 1.820 122.177 120.400 -0.073 0.000 2.484 65 K HA -0.024 4.295 4.320 -0.001 0.000 0.280 65 K C -2.147 174.486 176.600 0.054 0.000 1.013 65 K CA -0.931 55.349 56.287 -0.011 0.000 1.029 65 K CB 0.229 32.730 32.500 0.001 0.000 0.902 65 K HN -0.162 nan 8.250 nan 0.000 0.481 66 P HA -0.190 nan 4.420 nan 0.000 0.218 66 P C 0.412 177.772 177.300 0.100 0.000 1.146 66 P CA 1.297 64.441 63.100 0.073 0.000 0.813 66 P CB 0.253 31.983 31.700 0.050 0.000 0.778 67 E N -0.641 119.604 120.200 0.075 0.000 2.274 67 E HA -0.052 4.298 4.350 -0.001 0.000 0.194 67 E C 2.064 178.706 176.600 0.071 0.000 0.996 67 E CA 0.955 57.395 56.400 0.066 0.000 0.840 67 E CB -0.844 28.880 29.700 0.040 0.000 0.772 67 E HN 0.155 nan 8.360 nan 0.000 0.491 68 A N 0.025 122.901 122.820 0.094 0.000 2.076 68 A HA -0.072 4.248 4.320 -0.001 0.000 0.220 68 A C 0.226 177.629 177.584 -0.302 0.000 1.160 68 A CA 0.969 52.988 52.037 -0.031 0.000 0.653 68 A CB -0.188 18.846 19.000 0.058 0.000 0.801 68 A HN 0.185 nan 8.150 nan 0.000 0.455 69 F N -0.865 119.126 119.950 0.068 0.000 2.569 69 F HA 0.389 4.916 4.527 -0.000 0.000 0.312 69 F C 0.736 176.569 175.800 0.057 0.000 1.109 69 F CA -0.488 57.553 58.000 0.069 0.000 0.919 69 F CB 1.623 40.637 39.000 0.024 0.000 1.211 69 F HN 0.053 nan 8.300 nan 0.000 0.446 70 S N 0.685 116.521 115.700 0.225 0.000 2.569 70 S HA -0.019 4.451 4.470 -0.001 0.000 0.274 70 S C 0.700 175.400 174.600 0.167 0.000 1.353 70 S CA -0.352 57.949 58.200 0.169 0.000 1.023 70 S CB 0.690 63.988 63.200 0.163 0.000 0.876 70 S HN 0.649 nan 8.310 nan 0.000 0.540 71 D N 1.164 121.640 120.400 0.126 0.000 2.117 71 D HA -0.132 4.508 4.640 -0.001 0.000 0.197 71 D C 2.063 178.430 176.300 0.111 0.000 0.987 71 D CA 1.811 55.874 54.000 0.106 0.000 0.829 71 D CB -0.440 40.411 40.800 0.085 0.000 0.961 71 D HN 0.973 nan 8.370 nan 0.000 0.460 72 E N -0.147 120.134 120.200 0.134 0.000 2.265 72 E HA -0.144 4.205 4.350 -0.001 0.000 0.196 72 E C 1.403 178.118 176.600 0.192 0.000 0.996 72 E CA 0.781 57.284 56.400 0.172 0.000 0.832 72 E CB -0.042 29.795 29.700 0.228 0.000 0.756 72 E HN 0.115 nan 8.360 nan 0.000 0.491 73 M N 0.313 119.993 119.600 0.134 0.000 2.428 73 M HA 0.192 4.672 4.480 -0.001 0.000 0.239 73 M C 1.337 177.675 176.300 0.063 0.000 1.121 73 M CA 0.046 55.414 55.300 0.114 0.000 1.019 73 M CB 0.105 32.826 32.600 0.201 0.000 1.485 73 M HN 0.039 nan 8.290 nan 0.000 0.484 74 R N 1.168 121.675 120.500 0.013 0.000 2.162 74 R HA -0.184 4.156 4.340 -0.001 0.000 0.245 74 R C -0.686 175.419 176.300 -0.324 0.000 1.129 74 R CA 1.897 57.888 56.100 -0.182 0.000 0.940 74 R CB -2.412 27.863 30.300 -0.042 0.000 0.875 74 R HN 0.223 nan 8.270 nan 0.000 0.437 75 P HA -0.152 nan 4.420 nan 0.000 0.217 75 P C 1.606 178.810 177.300 -0.159 0.000 1.158 75 P CA 1.305 64.386 63.100 -0.031 0.000 0.887 75 P CB -0.153 31.560 31.700 0.022 0.000 0.792 76 V N -0.439 119.357 119.914 -0.195 0.000 2.392 76 V HA -0.291 3.829 4.120 -0.001 0.000 0.249 76 V C 2.679 178.494 176.094 -0.465 0.000 1.059 76 V CA 2.010 64.169 62.300 -0.235 0.000 1.051 76 V CB -1.223 30.584 31.823 -0.027 0.000 0.658 76 V HN 0.227 nan 8.190 nan 0.000 0.455 77 Q N -0.513 118.759 119.800 -0.880 0.000 2.046 77 Q HA -0.217 4.123 4.340 -0.001 0.000 0.200 77 Q C 2.243 178.026 176.000 -0.361 0.000 0.975 77 Q CA 2.002 57.217 55.803 -0.981 0.000 0.836 77 Q CB -0.137 27.841 28.738 -1.267 0.000 0.896 77 Q HN 0.807 nan 8.270 nan 0.000 0.428 78 H N -0.470 118.487 119.070 -0.190 0.000 2.387 78 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 78 H C 2.019 177.315 175.328 -0.053 0.000 1.090 78 H CA 0.916 56.927 56.048 -0.062 0.000 1.332 78 H CB -0.009 29.719 29.762 -0.057 0.000 1.386 78 H HN 0.421 nan 8.280 nan 0.000 0.516 79 A N 1.097 123.895 122.820 -0.037 0.000 1.883 79 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 79 A C 2.316 179.851 177.584 -0.082 0.000 1.186 79 A CA 1.550 53.512 52.037 -0.125 0.000 0.624 79 A CB -0.848 17.935 19.000 -0.362 0.000 0.822 79 A HN 0.314 nan 8.150 nan 0.000 0.444 80 L N -0.846 120.308 121.223 -0.115 0.000 2.046 80 L HA -0.260 4.079 4.340 -0.001 0.000 0.208 80 L C 2.941 179.822 176.870 0.018 0.000 1.077 80 L CA 1.578 56.255 54.840 -0.271 0.000 0.747 80 L CB -0.681 40.995 42.059 -0.638 0.000 0.896 80 L HN 0.488 nan 8.230 nan 0.000 0.432 81 Q N -0.446 119.504 119.800 0.251 0.000 2.029 81 Q HA -0.256 4.083 4.340 -0.001 0.000 0.209 81 Q C 2.212 178.373 176.000 0.269 0.000 0.999 81 Q CA 2.437 58.492 55.803 0.420 0.000 0.857 81 Q CB -0.567 28.378 28.738 0.345 0.000 0.926 81 Q HN 0.489 nan 8.270 nan 0.000 0.415 82 T N 1.203 115.860 114.554 0.170 0.000 2.699 82 T HA -0.168 4.181 4.350 -0.001 0.000 0.268 82 T C 1.825 176.589 174.700 0.106 0.000 1.036 82 T CA 1.300 63.481 62.100 0.135 0.000 1.147 82 T CB -0.119 68.816 68.868 0.110 0.000 0.862 82 T HN 0.217 nan 8.240 nan 0.000 0.446 83 M N 0.761 120.375 119.600 0.024 0.000 2.213 83 M HA -0.088 4.391 4.480 -0.001 0.000 0.263 83 M C 2.354 178.695 176.300 0.067 0.000 1.062 83 M CA 1.439 56.672 55.300 -0.111 0.000 1.105 83 M CB -0.834 31.646 32.600 -0.200 0.000 1.385 83 M HN 0.380 nan 8.290 nan 0.000 0.417 84 E N 0.328 120.684 120.200 0.259 0.000 2.072 84 E HA -0.106 4.243 4.350 -0.001 0.000 0.190 84 E C 1.884 178.624 176.600 0.233 0.000 0.982 84 E CA 1.550 58.147 56.400 0.329 0.000 0.803 84 E CB 0.189 30.163 29.700 0.456 0.000 0.755 84 E HN 0.323 nan 8.360 nan 0.000 0.453 85 S N 1.014 116.839 115.700 0.208 0.000 2.380 85 S HA -0.219 4.251 4.470 -0.001 0.000 0.229 85 S C 1.731 176.435 174.600 0.172 0.000 1.050 85 S CA 1.675 59.980 58.200 0.176 0.000 1.100 85 S CB -0.431 62.867 63.200 0.164 0.000 0.984 85 S HN 0.343 nan 8.310 nan 0.000 0.434 86 R N 1.022 121.635 120.500 0.187 0.000 2.339 86 R HA 0.126 4.466 4.340 -0.001 0.000 0.199 86 R C 1.369 177.784 176.300 0.191 0.000 1.018 86 R CA 0.723 56.971 56.100 0.247 0.000 1.036 86 R CB -0.783 29.776 30.300 0.431 0.000 0.899 86 R HN 0.607 nan 8.270 nan 0.000 0.473 87 G N 0.620 109.482 108.800 0.104 0.000 2.130 87 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.216 87 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.216 87 G C -0.031 174.716 174.900 -0.256 0.000 0.999 87 G CA -0.065 45.029 45.100 -0.011 0.000 0.686 87 G HN 0.141 nan 8.290 nan 0.000 0.515 88 V N 2.449 122.276 119.914 -0.145 0.000 2.432 88 V HA 0.561 4.680 4.120 -0.001 0.000 0.275 88 V C 0.300 176.460 176.094 0.109 0.000 1.043 88 V CA -0.862 61.362 62.300 -0.128 0.000 0.925 88 V CB 1.201 32.905 31.823 -0.198 0.000 0.985 88 V HN 0.349 nan 8.190 nan 0.000 0.466 89 H N 5.169 124.342 119.070 0.171 0.000 2.499 89 H HA 0.773 5.329 4.556 -0.000 0.000 0.340 89 H C -0.429 174.968 175.328 0.114 0.000 1.148 89 H CA -0.936 55.133 56.048 0.036 0.000 1.215 89 H CB 1.666 31.410 29.762 -0.030 0.000 1.529 89 H HN 0.639 nan 8.280 nan 0.000 0.510 90 F N -1.589 118.368 119.950 0.011 0.000 2.741 90 F HA 0.526 5.053 4.527 -0.001 0.000 0.311 90 F C -1.709 173.975 175.800 -0.193 0.000 1.149 90 F CA -1.206 56.670 58.000 -0.207 0.000 0.930 90 F CB 0.578 39.271 39.000 -0.511 0.000 1.312 90 F HN 0.133 nan 8.300 nan 0.000 0.450 91 V N 2.395 122.292 119.914 -0.029 0.000 2.347 91 V HA 0.298 4.418 4.120 -0.001 0.000 0.280 91 V C -1.036 175.118 176.094 0.100 0.000 1.021 91 V CA -0.631 61.678 62.300 0.015 0.000 0.847 91 V CB 1.003 32.812 31.823 -0.024 0.000 0.990 91 V HN 0.752 nan 8.190 nan 0.000 0.444 92 Y N 3.657 124.001 120.300 0.073 0.000 2.310 92 Y HA 0.776 5.326 4.550 -0.001 0.000 0.326 92 Y C 0.542 176.504 175.900 0.104 0.000 1.151 92 Y CA 0.420 58.565 58.100 0.075 0.000 1.195 92 Y CB 1.611 40.182 38.460 0.186 0.000 1.210 92 Y HN 0.794 nan 8.280 nan 0.000 0.483 93 G N 4.506 113.074 108.800 -0.387 0.000 2.356 93 G HA2 0.313 4.272 3.960 -0.001 0.000 0.294 93 G HA3 0.313 4.272 3.960 -0.001 0.000 0.294 93 G C -1.905 172.829 174.900 -0.277 0.000 1.423 93 G CA -1.300 43.670 45.100 -0.216 0.000 0.806 93 G HN 0.613 nan 8.290 nan 0.000 0.527 94 R N -0.669 119.754 120.500 -0.128 0.000 2.349 94 R HA 0.357 4.696 4.340 -0.001 0.000 0.299 94 R C -0.925 175.407 176.300 0.053 0.000 1.027 94 R CA -0.682 55.375 56.100 -0.072 0.000 0.958 94 R CB 1.316 31.582 30.300 -0.056 0.000 1.047 94 R HN 0.522 nan 8.270 nan 0.000 0.468 95 W N 6.188 127.399 121.300 -0.148 0.000 2.358 95 W HA 0.170 4.830 4.660 -0.001 0.000 0.307 95 W C -0.582 175.874 176.519 -0.105 0.000 1.203 95 W CA -1.066 56.206 57.345 -0.121 0.000 1.279 95 W CB 0.366 29.738 29.460 -0.146 0.000 1.264 95 W HN 0.526 nan 8.180 nan 0.000 0.474 96 L N 9.240 130.513 121.223 0.083 0.000 2.544 96 L HA 0.070 4.410 4.340 -0.001 0.000 0.240 96 L C 0.099 176.806 176.870 -0.271 0.000 1.421 96 L CA 0.251 55.042 54.840 -0.083 0.000 1.206 96 L CB -1.362 40.688 42.059 -0.014 0.000 1.463 96 L HN 0.258 nan 8.230 nan 0.000 0.437 97 I N -2.266 118.032 120.570 -0.453 0.000 3.237 97 I HA 0.313 4.483 4.170 -0.001 0.000 0.308 97 I C 0.494 176.417 176.117 -0.322 0.000 1.093 97 I CA -1.041 59.963 61.300 -0.493 0.000 1.001 97 I CB 1.132 38.643 38.000 -0.814 0.000 1.245 97 I HN 0.065 nan 8.210 nan 0.000 0.485 98 E N 1.054 121.087 120.200 -0.278 0.000 2.417 98 E HA 0.272 4.622 4.350 -0.001 0.000 0.261 98 E C 0.756 177.225 176.600 -0.218 0.000 1.000 98 E CA 1.095 57.373 56.400 -0.203 0.000 0.919 98 E CB 0.257 29.856 29.700 -0.168 0.000 0.955 98 E HN 0.842 nan 8.360 nan 0.000 0.455 99 G N 3.590 112.290 108.800 -0.166 0.000 2.493 99 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.206 99 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.206 99 G C 0.580 175.409 174.900 -0.120 0.000 1.109 99 G CA 0.056 45.069 45.100 -0.146 0.000 0.689 99 G HN 1.622 nan 8.290 nan 0.000 0.516 100 A N 0.420 123.150 122.820 -0.149 0.000 2.560 100 A HA 0.077 4.397 4.320 -0.001 0.000 0.299 100 A C -0.745 176.799 177.584 -0.067 0.000 1.484 100 A CA 1.614 53.586 52.037 -0.107 0.000 0.749 100 A CB -1.631 17.315 19.000 -0.090 0.000 1.072 100 A HN 1.354 nan 8.150 nan 0.000 0.426 101 P HA 0.259 nan 4.420 nan 0.000 0.271 101 P C -0.087 177.159 177.300 -0.091 0.000 1.218 101 P CA 0.040 63.136 63.100 -0.008 0.000 0.780 101 P CB 0.694 32.462 31.700 0.113 0.000 0.901 102 K N 1.001 121.266 120.400 -0.225 0.000 2.270 102 K HA 0.423 4.742 4.320 -0.001 0.000 0.276 102 K C -0.398 176.025 176.600 -0.294 0.000 1.023 102 K CA -0.514 55.576 56.287 -0.329 0.000 0.955 102 K CB 0.742 32.992 32.500 -0.417 0.000 0.975 102 K HN 0.221 nan 8.250 nan 0.000 0.471 103 V N 4.505 124.226 119.914 -0.322 0.000 2.760 103 V HA 0.403 4.523 4.120 -0.001 0.000 0.309 103 V C -0.886 175.037 176.094 -0.285 0.000 1.077 103 V CA -0.798 61.350 62.300 -0.253 0.000 0.910 103 V CB 1.872 33.562 31.823 -0.222 0.000 1.008 103 V HN 0.580 nan 8.190 nan 0.000 0.424 104 I N 6.003 126.407 120.570 -0.277 0.000 2.382 104 I HA 0.453 4.622 4.170 -0.001 0.000 0.285 104 I C -0.755 175.049 176.117 -0.521 0.000 1.007 104 I CA -0.281 60.761 61.300 -0.430 0.000 1.142 104 I CB 1.422 39.022 38.000 -0.667 0.000 1.289 104 I HN 0.294 nan 8.210 nan 0.000 0.453 105 L N 6.908 127.867 121.223 -0.441 0.000 2.313 105 L HA 0.451 4.791 4.340 -0.001 0.000 0.273 105 L C -0.669 176.019 176.870 -0.302 0.000 1.028 105 L CA -0.532 54.111 54.840 -0.329 0.000 0.871 105 L CB 0.391 42.315 42.059 -0.225 0.000 1.242 105 L HN 0.394 nan 8.230 nan 0.000 0.434 106 F N 1.216 121.090 119.950 -0.127 0.000 2.538 106 F HA 0.020 4.547 4.527 -0.000 0.000 0.371 106 F C 1.093 176.868 175.800 -0.043 0.000 1.087 106 F CA -0.142 57.814 58.000 -0.073 0.000 1.250 106 F CB 0.318 39.240 39.000 -0.130 0.000 1.110 106 F HN 0.397 nan 8.300 nan 0.000 0.570 107 D N 4.510 125.021 120.400 0.184 0.000 2.402 107 D HA 0.081 4.720 4.640 -0.001 0.000 0.235 107 D C 1.072 177.441 176.300 0.115 0.000 1.226 107 D CA 0.212 54.268 54.000 0.093 0.000 0.918 107 D CB 0.321 41.176 40.800 0.092 0.000 1.043 107 D HN 0.527 nan 8.370 nan 0.000 0.506 108 L N 2.420 123.702 121.223 0.097 0.000 2.349 108 L HA -0.139 4.201 4.340 -0.001 0.000 0.220 108 L C 1.246 178.176 176.870 0.100 0.000 1.130 108 L CA 0.693 55.600 54.840 0.111 0.000 0.791 108 L CB -0.050 42.072 42.059 0.105 0.000 0.918 108 L HN 0.348 nan 8.230 nan 0.000 0.444 109 D N -0.531 119.915 120.400 0.078 0.000 2.149 109 D HA -0.114 4.525 4.640 -0.001 0.000 0.201 109 D C 2.160 178.499 176.300 0.065 0.000 0.972 109 D CA 1.480 55.521 54.000 0.069 0.000 0.835 109 D CB 0.004 40.840 40.800 0.059 0.000 0.966 109 D HN 0.296 nan 8.370 nan 0.000 0.476 110 S N -0.459 115.276 115.700 0.058 0.000 2.727 110 S HA 0.064 4.534 4.470 -0.001 0.000 0.226 110 S C 1.214 175.807 174.600 -0.012 0.000 0.963 110 S CA -0.037 58.155 58.200 -0.014 0.000 0.950 110 S CB 0.320 63.432 63.200 -0.147 0.000 0.779 110 S HN 0.039 nan 8.310 nan 0.000 0.532 111 V N 0.101 120.047 119.914 0.054 0.000 3.443 111 V HA 0.312 4.431 4.120 -0.001 0.000 0.277 111 V C 1.774 177.910 176.094 0.070 0.000 1.648 111 V CA -0.015 62.325 62.300 0.067 0.000 1.058 111 V CB 0.152 32.048 31.823 0.122 0.000 0.877 111 V HN 0.475 nan 8.190 nan 0.000 0.417 112 R N 0.949 121.496 120.500 0.078 0.000 2.303 112 R HA -0.085 4.255 4.340 -0.001 0.000 0.225 112 R C 1.904 178.208 176.300 0.007 0.000 1.114 112 R CA 1.766 57.904 56.100 0.064 0.000 1.007 112 R CB -0.241 30.100 30.300 0.068 0.000 0.861 112 R HN 0.536 nan 8.270 nan 0.000 0.471 113 G N -0.141 108.663 108.800 0.007 0.000 2.434 113 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.214 113 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.214 113 G C 0.587 175.363 174.900 -0.206 0.000 1.202 113 G CA 0.352 45.408 45.100 -0.074 0.000 0.788 113 G HN 0.381 nan 8.290 nan 0.000 0.539 114 Y N 1.836 121.816 120.300 -0.532 0.000 2.821 114 Y HA -0.054 4.496 4.550 -0.001 0.000 0.300 114 Y C 2.865 178.218 175.900 -0.911 0.000 1.162 114 Y CA 0.465 57.980 58.100 -0.976 0.000 1.424 114 Y CB -0.639 36.712 38.460 -1.849 0.000 0.972 114 Y HN 0.275 nan 8.280 nan 0.000 0.561 115 S N 0.606 116.133 115.700 -0.288 0.000 2.353 115 S HA -0.247 4.222 4.470 -0.001 0.000 0.222 115 S C 2.126 176.691 174.600 -0.059 0.000 1.035 115 S CA 1.963 60.119 58.200 -0.074 0.000 1.025 115 S CB -0.181 63.022 63.200 0.005 0.000 0.902 115 S HN 0.522 nan 8.310 nan 0.000 0.440 116 N N 1.310 119.948 118.700 -0.103 0.000 2.106 116 N HA -0.073 4.666 4.740 -0.001 0.000 0.188 116 N C 1.817 177.281 175.510 -0.076 0.000 1.029 116 N CA 1.393 54.399 53.050 -0.072 0.000 0.848 116 N CB -0.755 37.683 38.487 -0.081 0.000 1.007 116 N HN 0.709 nan 8.380 nan 0.000 0.423 117 E N -0.411 119.694 120.200 -0.159 0.000 2.097 117 E HA -0.197 4.153 4.350 -0.001 0.000 0.196 117 E C 1.285 177.880 176.600 -0.008 0.000 1.000 117 E CA 1.077 57.400 56.400 -0.128 0.000 0.804 117 E CB -0.049 29.505 29.700 -0.243 0.000 0.740 117 E HN 0.359 nan 8.360 nan 0.000 0.454 118 W N 0.898 122.059 121.300 -0.231 0.000 2.407 118 W HA 0.021 4.680 4.660 -0.001 0.000 0.305 118 W C 2.255 178.612 176.519 -0.270 0.000 1.196 118 W CA 0.546 57.575 57.345 -0.526 0.000 1.311 118 W CB -0.807 28.152 29.460 -0.834 0.000 1.135 118 W HN 0.076 nan 8.180 nan 0.000 0.514 119 K N -0.268 120.209 120.400 0.127 0.000 2.127 119 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 119 K C 2.254 178.950 176.600 0.159 0.000 1.047 119 K CA 1.735 58.107 56.287 0.141 0.000 0.927 119 K CB -0.825 31.728 32.500 0.088 0.000 0.716 119 K HN 0.173 nan 8.250 nan 0.000 0.450 120 G N 1.154 110.026 108.800 0.120 0.000 2.434 120 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.214 120 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.214 120 G C 1.155 176.184 174.900 0.215 0.000 1.202 120 G CA 1.166 46.357 45.100 0.152 0.000 0.788 120 G HN 0.335 nan 8.290 nan 0.000 0.539 121 D N -0.196 120.306 120.400 0.170 0.000 2.158 121 D HA -0.110 4.530 4.640 -0.001 0.000 0.197 121 D C 2.336 178.777 176.300 0.235 0.000 0.995 121 D CA 0.577 54.689 54.000 0.188 0.000 0.846 121 D CB -0.231 40.689 40.800 0.198 0.000 0.941 121 D HN 0.213 nan 8.370 nan 0.000 0.456 122 L N 0.109 121.515 121.223 0.304 0.000 1.976 122 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 122 L C 2.288 179.287 176.870 0.214 0.000 1.071 122 L CA 1.621 56.633 54.840 0.286 0.000 0.746 122 L CB -0.773 41.486 42.059 0.333 0.000 0.890 122 L HN 0.494 nan 8.230 nan 0.000 0.432 123 W N 1.083 122.429 121.300 0.077 0.000 2.305 123 W HA -0.257 4.403 4.660 -0.001 0.000 0.308 123 W C 1.829 178.369 176.519 0.035 0.000 1.226 123 W CA 1.779 59.154 57.345 0.049 0.000 1.253 123 W CB -0.198 29.288 29.460 0.044 0.000 1.146 123 W HN 0.383 nan 8.180 nan 0.000 0.507 124 S N -0.135 115.569 115.700 0.007 0.000 2.602 124 S HA 0.260 4.730 4.470 -0.001 0.000 0.246 124 S C 0.865 175.411 174.600 -0.091 0.000 1.009 124 S CA -0.287 57.840 58.200 -0.122 0.000 1.052 124 S CB -0.277 62.952 63.200 0.048 0.000 0.778 124 S HN 0.346 nan 8.310 nan 0.000 0.455 125 L N -0.658 120.507 121.223 -0.097 0.000 3.154 125 L HA 0.306 4.646 4.340 -0.001 0.000 0.280 125 L C 0.476 177.268 176.870 -0.130 0.000 1.134 125 L CA 0.101 54.886 54.840 -0.092 0.000 1.037 125 L CB 0.987 43.019 42.059 -0.045 0.000 1.571 125 L HN 0.299 nan 8.230 nan 0.000 0.576 126 V N -1.765 118.063 119.914 -0.144 0.000 3.432 126 V HA 0.352 4.472 4.120 -0.001 0.000 0.290 126 V C 1.182 177.161 176.094 -0.191 0.000 1.591 126 V CA 0.332 62.542 62.300 -0.151 0.000 1.069 126 V CB 0.731 32.485 31.823 -0.115 0.000 0.892 126 V HN 0.358 nan 8.190 nan 0.000 0.436 127 G N 1.906 110.516 108.800 -0.317 0.000 2.249 127 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.273 127 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.273 127 G C 0.018 174.867 174.900 -0.085 0.000 1.036 127 G CA 0.533 45.294 45.100 -0.567 0.000 0.824 127 G HN 0.567 nan 8.290 nan 0.000 0.504 128 I N 1.569 122.219 120.570 0.133 0.000 2.281 128 I HA 0.213 4.382 4.170 -0.001 0.000 0.293 128 I C -1.607 174.774 176.117 0.440 0.000 1.085 128 I CA -2.167 59.274 61.300 0.235 0.000 1.257 128 I CB 0.987 39.056 38.000 0.115 0.000 1.430 128 I HN -0.075 nan 8.210 nan 0.000 0.489 129 P HA 0.061 nan 4.420 nan 0.000 0.270 129 P C -0.816 176.579 177.300 0.158 0.000 1.227 129 P CA -0.192 63.077 63.100 0.281 0.000 0.788 129 P CB 0.557 32.415 31.700 0.264 0.000 0.926 130 S N -0.714 114.989 115.700 0.005 0.000 2.479 130 S HA 0.380 4.850 4.470 -0.001 0.000 0.169 130 S C -2.893 171.636 174.600 -0.119 0.000 1.181 130 S CA -1.252 56.943 58.200 -0.009 0.000 1.169 130 S CB -0.237 63.012 63.200 0.081 0.000 1.384 130 S HN 0.165 nan 8.310 nan 0.000 0.412 131 P HA 0.137 nan 4.420 nan 0.000 0.268 131 P C 0.740 177.943 177.300 -0.163 0.000 1.208 131 P CA -0.287 62.671 63.100 -0.237 0.000 0.777 131 P CB 0.497 31.991 31.700 -0.344 0.000 0.875 132 E N 0.645 120.761 120.200 -0.140 0.000 2.478 132 E HA -0.084 4.265 4.350 -0.001 0.000 0.194 132 E C 0.556 177.028 176.600 -0.213 0.000 1.045 132 E CA 0.475 56.808 56.400 -0.112 0.000 0.868 132 E CB -0.596 29.067 29.700 -0.061 0.000 0.885 132 E HN 0.560 nan 8.360 nan 0.000 0.505 133 N N 0.772 119.302 118.700 -0.283 0.000 2.336 133 N HA -0.061 4.679 4.740 -0.001 0.000 0.189 133 N C -0.025 175.027 175.510 -0.764 0.000 1.113 133 N CA -0.076 52.681 53.050 -0.488 0.000 0.858 133 N CB 0.349 38.693 38.487 -0.238 0.000 0.970 133 N HN -0.107 nan 8.380 nan 0.000 0.471 134 D N 0.052 120.163 120.400 -0.481 0.000 2.443 134 D HA 0.110 4.749 4.640 -0.001 0.000 0.221 134 D C -0.194 175.982 176.300 -0.206 0.000 1.097 134 D CA -0.747 53.097 54.000 -0.260 0.000 0.865 134 D CB 0.328 41.163 40.800 0.060 0.000 1.034 134 D HN 0.072 nan 8.370 nan 0.000 0.511 135 F N 1.794 121.828 119.950 0.139 0.000 2.293 135 F HA 0.038 4.564 4.527 -0.000 0.000 0.297 135 F C 2.120 178.003 175.800 0.139 0.000 1.089 135 F CA 0.287 58.359 58.000 0.121 0.000 1.377 135 F CB -0.205 38.851 39.000 0.094 0.000 1.051 135 F HN 0.307 nan 8.300 nan 0.000 0.511 136 E N 0.172 120.562 120.200 0.317 0.000 2.051 136 E HA -0.180 4.170 4.350 -0.001 0.000 0.192 136 E C 2.393 179.146 176.600 0.254 0.000 0.991 136 E CA 2.216 58.768 56.400 0.253 0.000 0.799 136 E CB -0.734 29.130 29.700 0.274 0.000 0.748 136 E HN 0.435 nan 8.360 nan 0.000 0.449 137 T N -1.039 113.710 114.554 0.325 0.000 2.904 137 T HA -0.061 4.289 4.350 -0.001 0.000 0.267 137 T C 1.652 176.506 174.700 0.257 0.000 1.059 137 T CA 0.915 63.224 62.100 0.349 0.000 1.137 137 T CB -0.177 68.921 68.868 0.382 0.000 0.879 137 T HN -0.044 nan 8.240 nan 0.000 0.467 138 N N 2.123 120.956 118.700 0.222 0.000 2.043 138 N HA -0.107 4.633 4.740 -0.001 0.000 0.193 138 N C 1.564 177.203 175.510 0.216 0.000 1.037 138 N CA 1.726 54.901 53.050 0.209 0.000 0.851 138 N CB -0.536 38.074 38.487 0.205 0.000 1.027 138 N HN 0.481 nan 8.380 nan 0.000 0.422 139 D N 0.843 121.366 120.400 0.204 0.000 2.144 139 D HA -0.063 4.576 4.640 -0.001 0.000 0.199 139 D C 1.766 178.153 176.300 0.146 0.000 0.984 139 D CA 0.941 55.041 54.000 0.166 0.000 0.834 139 D CB -0.289 40.594 40.800 0.137 0.000 0.955 139 D HN 0.247 nan 8.370 nan 0.000 0.465 140 A N 0.468 123.376 122.820 0.148 0.000 1.969 140 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 140 A C 2.337 180.011 177.584 0.150 0.000 1.169 140 A CA 0.691 52.801 52.037 0.122 0.000 0.635 140 A CB -0.497 18.591 19.000 0.146 0.000 0.810 140 A HN 0.180 nan 8.150 nan 0.000 0.445 141 I N -0.513 120.183 120.570 0.209 0.000 2.233 141 I HA -0.196 3.973 4.170 -0.001 0.000 0.243 141 I C 2.356 178.651 176.117 0.296 0.000 1.093 141 I CA 0.799 62.257 61.300 0.263 0.000 1.380 141 I CB -0.367 37.820 38.000 0.311 0.000 1.067 141 I HN 0.279 nan 8.210 nan 0.000 0.413 142 L N 0.159 121.565 121.223 0.305 0.000 1.990 142 L HA -0.278 4.061 4.340 -0.001 0.000 0.213 142 L C 2.673 179.658 176.870 0.191 0.000 1.072 142 L CA 1.313 56.367 54.840 0.357 0.000 0.755 142 L CB -0.710 41.531 42.059 0.304 0.000 0.889 142 L HN 0.291 nan 8.230 nan 0.000 0.432 143 L N 0.348 121.644 121.223 0.122 0.000 1.989 143 L HA -0.137 4.203 4.340 -0.001 0.000 0.211 143 L C 2.390 179.248 176.870 -0.019 0.000 1.071 143 L CA 2.313 57.182 54.840 0.047 0.000 0.749 143 L CB -1.261 40.836 42.059 0.063 0.000 0.890 143 L HN 0.190 nan 8.230 nan 0.000 0.431 144 G N -1.689 107.103 108.800 -0.014 0.000 2.491 144 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.218 144 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.218 144 G C 1.502 176.226 174.900 -0.292 0.000 1.180 144 G CA 1.244 46.265 45.100 -0.131 0.000 0.774 144 G HN 0.496 nan 8.290 nan 0.000 0.562 145 Y N 1.279 121.328 120.300 -0.418 0.000 2.224 145 Y HA -0.106 4.444 4.550 -0.001 0.000 0.289 145 Y C 3.391 178.977 175.900 -0.523 0.000 1.146 145 Y CA 1.767 59.407 58.100 -0.767 0.000 1.182 145 Y CB -0.372 36.989 38.460 -1.832 0.000 0.983 145 Y HN 0.173 nan 8.280 nan 0.000 0.524 146 T N -0.951 113.451 114.554 -0.252 0.000 2.737 146 T HA -0.153 4.197 4.350 -0.001 0.000 0.265 146 T C 2.094 176.567 174.700 -0.379 0.000 1.038 146 T CA 1.590 63.538 62.100 -0.253 0.000 1.144 146 T CB -0.729 67.877 68.868 -0.436 0.000 0.866 146 T HN 0.081 nan 8.240 nan 0.000 0.434 147 V N 1.852 121.577 119.914 -0.315 0.000 2.358 147 V HA -0.126 3.994 4.120 -0.001 0.000 0.246 147 V C 2.948 179.047 176.094 0.008 0.000 1.047 147 V CA 1.552 63.762 62.300 -0.150 0.000 1.035 147 V CB -1.313 30.522 31.823 0.021 0.000 0.658 147 V HN 0.522 nan 8.190 nan 0.000 0.452 148 A N -0.206 122.584 122.820 -0.050 0.000 1.917 148 A HA -0.303 4.017 4.320 -0.001 0.000 0.219 148 A C 2.028 179.627 177.584 0.024 0.000 1.182 148 A CA 2.194 54.195 52.037 -0.060 0.000 0.633 148 A CB -0.918 17.941 19.000 -0.236 0.000 0.819 148 A HN 0.723 nan 8.150 nan 0.000 0.448 149 W N 0.081 121.260 121.300 -0.201 0.000 2.335 149 W HA -0.217 4.442 4.660 -0.000 0.000 0.311 149 W C 1.923 178.369 176.519 -0.122 0.000 1.213 149 W CA 1.483 58.734 57.345 -0.156 0.000 1.274 149 W CB -1.186 28.169 29.460 -0.175 0.000 1.148 149 W HN 0.425 nan 8.180 nan 0.000 0.498 150 F N 0.569 120.439 119.950 -0.133 0.000 2.293 150 F HA -0.119 4.408 4.527 -0.001 0.000 0.300 150 F C 2.036 177.725 175.800 -0.185 0.000 1.086 150 F CA 1.854 59.701 58.000 -0.255 0.000 1.375 150 F CB -0.460 38.349 39.000 -0.317 0.000 1.045 150 F HN -0.192 nan 8.300 nan 0.000 0.516 151 L N -0.340 120.773 121.223 -0.183 0.000 2.162 151 L HA 0.060 4.400 4.340 -0.001 0.000 0.205 151 L C 2.842 179.617 176.870 -0.159 0.000 1.086 151 L CA 0.891 55.582 54.840 -0.248 0.000 0.778 151 L CB -1.480 40.557 42.059 -0.037 0.000 0.928 151 L HN 0.271 nan 8.230 nan 0.000 0.446 152 G N -0.013 108.753 108.800 -0.057 0.000 2.529 152 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.219 152 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.219 152 G C 1.460 176.352 174.900 -0.013 0.000 1.177 152 G CA 0.703 45.796 45.100 -0.011 0.000 0.773 152 G HN 0.259 nan 8.290 nan 0.000 0.573 153 E N 0.188 120.355 120.200 -0.054 0.000 2.051 153 E HA -0.089 4.261 4.350 -0.001 0.000 0.192 153 E C 2.936 179.471 176.600 -0.108 0.000 0.991 153 E CA 0.969 57.339 56.400 -0.049 0.000 0.799 153 E CB -0.624 29.008 29.700 -0.114 0.000 0.748 153 E HN 0.329 nan 8.360 nan 0.000 0.449 154 V N 1.597 121.314 119.914 -0.328 0.000 2.343 154 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 154 V C 2.467 178.517 176.094 -0.074 0.000 1.051 154 V CA 1.793 63.926 62.300 -0.278 0.000 1.036 154 V CB -0.900 30.647 31.823 -0.460 0.000 0.654 154 V HN 0.243 nan 8.190 nan 0.000 0.451 155 A N -1.010 121.790 122.820 -0.033 0.000 1.972 155 A HA -0.279 4.041 4.320 -0.001 0.000 0.219 155 A C 2.225 179.852 177.584 0.071 0.000 1.169 155 A CA 1.984 54.048 52.037 0.046 0.000 0.635 155 A CB -0.861 18.173 19.000 0.057 0.000 0.810 155 A HN 0.752 nan 8.150 nan 0.000 0.446 156 H N -0.180 118.874 119.070 -0.028 0.000 2.276 156 H HA -0.030 4.526 4.556 -0.001 0.000 0.301 156 H C 1.890 177.211 175.328 -0.011 0.000 1.073 156 H CA 1.846 57.885 56.048 -0.016 0.000 1.311 156 H CB -0.108 29.644 29.762 -0.018 0.000 1.379 156 H HN 0.420 nan 8.280 nan 0.000 0.494 157 L N 0.370 121.482 121.223 -0.185 0.000 2.131 157 L HA -0.049 4.291 4.340 -0.001 0.000 0.206 157 L C 1.067 177.873 176.870 -0.106 0.000 1.087 157 L CA 0.455 55.164 54.840 -0.217 0.000 0.767 157 L CB -0.160 41.851 42.059 -0.079 0.000 0.917 157 L HN 0.261 nan 8.230 nan 0.000 0.441 158 D N -0.055 120.324 120.400 -0.036 0.000 2.264 158 D HA 0.080 4.720 4.640 -0.001 0.000 0.250 158 D C 0.355 176.658 176.300 0.005 0.000 1.113 158 D CA 0.185 54.199 54.000 0.023 0.000 0.871 158 D CB 1.534 42.402 40.800 0.114 0.000 1.167 158 D HN 0.060 nan 8.370 nan 0.000 0.447 159 S N 2.104 117.790 115.700 -0.023 0.000 2.780 159 S HA 0.012 4.482 4.470 -0.001 0.000 0.248 159 S C 1.127 175.686 174.600 -0.069 0.000 1.036 159 S CA -0.479 57.698 58.200 -0.040 0.000 1.061 159 S CB 0.703 63.871 63.200 -0.053 0.000 1.037 159 S HN 0.580 nan 8.310 nan 0.000 0.584 160 Q N 1.148 120.872 119.800 -0.126 0.000 2.387 160 Q HA 0.151 4.491 4.340 -0.001 0.000 0.208 160 Q C -0.428 175.427 176.000 -0.241 0.000 0.935 160 Q CA 0.486 56.138 55.803 -0.252 0.000 0.891 160 Q CB 0.223 28.697 28.738 -0.440 0.000 1.007 160 Q HN 0.728 nan 8.270 nan 0.000 0.548 161 H N -0.005 119.106 119.070 0.069 0.000 2.487 161 H HA 0.515 5.070 4.556 -0.001 0.000 0.333 161 H C -0.462 174.947 175.328 0.135 0.000 1.114 161 H CA -0.252 55.867 56.048 0.120 0.000 1.310 161 H CB 1.515 31.358 29.762 0.135 0.000 1.462 161 H HN 0.337 nan 8.280 nan 0.000 0.516 162 A N 3.102 126.101 122.820 0.298 0.000 2.406 162 A HA 0.364 4.683 4.320 -0.001 0.000 0.243 162 A C -0.149 177.641 177.584 0.343 0.000 1.082 162 A CA -0.220 51.996 52.037 0.297 0.000 0.786 162 A CB 0.056 19.260 19.000 0.340 0.000 1.029 162 A HN 0.729 nan 8.150 nan 0.000 0.495 163 I N 1.894 122.653 120.570 0.314 0.000 2.439 163 I HA 0.303 4.473 4.170 -0.001 0.000 0.283 163 I C -0.453 175.815 176.117 0.252 0.000 1.023 163 I CA -0.601 60.880 61.300 0.300 0.000 1.100 163 I CB 1.558 39.741 38.000 0.305 0.000 1.238 163 I HN 0.421 nan 8.210 nan 0.000 0.445 164 V N 6.178 126.228 119.914 0.227 0.000 2.427 164 V HA 0.846 4.966 4.120 -0.001 0.000 0.286 164 V C -0.071 176.139 176.094 0.193 0.000 1.034 164 V CA -0.026 62.366 62.300 0.154 0.000 0.893 164 V CB 1.480 33.341 31.823 0.064 0.000 0.982 164 V HN 0.799 nan 8.190 nan 0.000 0.452 165 A N 5.082 128.011 122.820 0.182 0.000 2.340 165 A HA 0.573 4.892 4.320 -0.001 0.000 0.297 165 A C -0.765 176.847 177.584 0.046 0.000 1.195 165 A CA -0.529 51.593 52.037 0.142 0.000 0.769 165 A CB 0.362 19.493 19.000 0.219 0.000 1.163 165 A HN 1.115 nan 8.150 nan 0.000 0.472 166 H N 1.466 120.425 119.070 -0.185 0.000 2.489 166 H HA 0.633 5.189 4.556 -0.000 0.000 0.322 166 H C -1.380 173.695 175.328 -0.423 0.000 1.091 166 H CA -0.344 55.605 56.048 -0.165 0.000 1.291 166 H CB 0.711 30.402 29.762 -0.119 0.000 1.436 166 H HN 0.557 nan 8.280 nan 0.000 0.480 167 F N 2.690 122.764 119.950 0.207 0.000 2.507 167 F HA 0.252 4.779 4.527 -0.000 0.000 0.325 167 F C -0.370 175.467 175.800 0.061 0.000 1.116 167 F CA -0.827 57.270 58.000 0.162 0.000 0.930 167 F CB 1.461 40.619 39.000 0.263 0.000 1.146 167 F HN 0.612 nan 8.300 nan 0.000 0.447 168 H N 1.487 120.766 119.070 0.349 0.000 2.504 168 H HA 0.497 5.053 4.556 -0.001 0.000 0.322 168 H C -0.575 174.900 175.328 0.244 0.000 1.055 168 H CA -0.707 55.484 56.048 0.238 0.000 1.231 168 H CB 1.361 31.233 29.762 0.183 0.000 1.417 168 H HN 0.651 nan 8.280 nan 0.000 0.472 169 E N 1.276 121.674 120.200 0.330 0.000 8.710 169 E HA -0.212 4.138 4.350 -0.001 0.000 0.468 169 E C 0.500 177.392 176.600 0.487 0.000 1.162 169 E CA 0.640 57.253 56.400 0.354 0.000 2.026 169 E CB -0.333 29.480 29.700 0.190 0.000 1.008 169 E HN 0.840 nan 8.360 nan 0.000 0.263 170 W N 3.583 125.131 121.300 0.414 0.000 2.374 170 W HA -0.144 4.516 4.660 -0.000 0.000 0.288 170 W C 1.223 177.848 176.519 0.177 0.000 1.218 170 W CA 1.190 58.708 57.345 0.288 0.000 1.245 170 W CB -0.840 28.724 29.460 0.174 0.000 1.126 170 W HN 0.486 nan 8.180 nan 0.000 0.545 171 L N 1.884 122.752 121.223 -0.592 0.000 2.191 171 L HA -0.086 4.253 4.340 -0.001 0.000 0.212 171 L C 2.694 179.507 176.870 -0.096 0.000 1.103 171 L CA 1.921 56.424 54.840 -0.562 0.000 0.769 171 L CB -0.958 40.663 42.059 -0.730 0.000 0.908 171 L HN 0.062 nan 8.230 nan 0.000 0.438 172 A N -0.679 122.169 122.820 0.047 0.000 2.507 172 A HA 0.424 4.744 4.320 -0.001 0.000 0.270 172 A C 1.707 179.422 177.584 0.220 0.000 1.318 172 A CA 0.474 52.614 52.037 0.172 0.000 0.924 172 A CB -0.440 18.706 19.000 0.243 0.000 1.061 172 A HN 0.327 nan 8.150 nan 0.000 0.516 173 G N -1.424 107.441 108.800 0.108 0.000 3.159 173 G HA2 0.260 4.220 3.960 -0.001 0.000 0.232 173 G HA3 0.260 4.220 3.960 -0.001 0.000 0.232 173 G C 0.942 175.695 174.900 -0.244 0.000 1.116 173 G CA 0.694 45.740 45.100 -0.090 0.000 0.767 173 G HN 0.195 nan 8.290 nan 0.000 0.547 174 V N 1.419 121.251 119.914 -0.136 0.000 2.667 174 V HA -0.088 4.032 4.120 -0.001 0.000 0.252 174 V C 3.124 179.011 176.094 -0.344 0.000 1.065 174 V CA 1.748 63.937 62.300 -0.186 0.000 1.083 174 V CB -0.359 31.421 31.823 -0.071 0.000 0.692 174 V HN 0.400 nan 8.190 nan 0.000 0.468 175 A N -0.163 122.437 122.820 -0.367 0.000 2.070 175 A HA -0.134 4.186 4.320 -0.001 0.000 0.220 175 A C 2.209 179.467 177.584 -0.543 0.000 1.159 175 A CA 1.521 53.297 52.037 -0.436 0.000 0.656 175 A CB -0.425 18.422 19.000 -0.255 0.000 0.800 175 A HN 0.524 nan 8.150 nan 0.000 0.453 176 L N -0.756 120.082 121.223 -0.642 0.000 2.044 176 L HA -0.076 4.263 4.340 -0.001 0.000 0.205 176 L C -0.422 176.220 176.870 -0.380 0.000 1.075 176 L CA 1.197 55.686 54.840 -0.585 0.000 0.747 176 L CB -1.184 40.502 42.059 -0.623 0.000 0.903 176 L HN 0.204 nan 8.230 nan 0.000 0.435 177 P HA -0.199 nan 4.420 nan 0.000 0.214 177 P C 1.908 179.057 177.300 -0.251 0.000 1.163 177 P CA 1.470 64.411 63.100 -0.266 0.000 0.889 177 P CB -0.004 31.547 31.700 -0.248 0.000 0.790 178 L N -1.155 119.880 121.223 -0.312 0.000 1.997 178 L HA -0.304 4.036 4.340 -0.001 0.000 0.216 178 L C 2.672 179.411 176.870 -0.218 0.000 1.074 178 L CA 1.866 56.524 54.840 -0.304 0.000 0.763 178 L CB -1.690 40.096 42.059 -0.456 0.000 0.890 178 L HN 0.089 nan 8.230 nan 0.000 0.434 179 C N -0.641 118.531 119.300 -0.214 0.000 2.413 179 C HA -0.203 4.257 4.460 -0.001 0.000 0.276 179 C C 3.092 178.016 174.990 -0.110 0.000 1.236 179 C CA 1.214 60.150 59.018 -0.136 0.000 1.735 179 C CB -1.023 26.649 27.740 -0.112 0.000 2.031 179 C HN 0.478 nan 8.230 nan 0.000 0.474 180 R N 0.822 121.244 120.500 -0.131 0.000 2.066 180 R HA -0.119 4.221 4.340 -0.001 0.000 0.232 180 R C 2.399 178.642 176.300 -0.095 0.000 1.131 180 R CA 1.292 57.329 56.100 -0.105 0.000 0.955 180 R CB -0.294 29.936 30.300 -0.118 0.000 0.851 180 R HN 0.309 nan 8.270 nan 0.000 0.432 181 K N 1.214 121.546 120.400 -0.113 0.000 1.991 181 K HA -0.145 4.175 4.320 -0.001 0.000 0.212 181 K C 1.775 178.328 176.600 -0.079 0.000 1.049 181 K CA 1.720 57.948 56.287 -0.098 0.000 0.932 181 K CB -0.172 32.261 32.500 -0.110 0.000 0.717 181 K HN 0.241 nan 8.250 nan 0.000 0.441 182 R N 0.532 120.980 120.500 -0.087 0.000 2.346 182 R HA 0.034 4.374 4.340 -0.001 0.000 0.199 182 R C 0.354 176.625 176.300 -0.049 0.000 1.015 182 R CA 0.052 56.111 56.100 -0.069 0.000 1.058 182 R CB -0.215 30.036 30.300 -0.082 0.000 0.921 182 R HN 0.145 nan 8.270 nan 0.000 0.475 183 R N 1.279 121.751 120.500 -0.046 0.000 3.387 183 R HA -0.163 4.177 4.340 -0.001 0.000 0.254 183 R C -0.257 176.039 176.300 -0.005 0.000 1.006 183 R CA 0.327 56.412 56.100 -0.025 0.000 0.677 183 R CB -1.300 28.990 30.300 -0.016 0.000 1.063 183 R HN 0.213 nan 8.270 nan 0.000 0.453 184 I N 0.134 120.697 120.570 -0.012 0.000 2.752 184 I HA -0.069 4.101 4.170 -0.001 0.000 0.287 184 I C 1.022 177.166 176.117 0.044 0.000 1.188 184 I CA 0.442 61.748 61.300 0.010 0.000 1.427 184 I CB 0.374 38.374 38.000 -0.001 0.000 1.365 184 I HN 0.148 nan 8.210 nan 0.000 0.585 185 D N 5.726 126.171 120.400 0.074 0.000 2.845 185 D HA 0.283 4.923 4.640 -0.001 0.000 0.235 185 D C -0.542 175.854 176.300 0.161 0.000 1.158 185 D CA 0.005 54.082 54.000 0.127 0.000 0.990 185 D CB -0.195 40.689 40.800 0.140 0.000 1.094 185 D HN 0.332 nan 8.370 nan 0.000 0.486 186 V N -0.772 119.217 119.914 0.124 0.000 2.789 186 V HA 0.646 4.765 4.120 -0.001 0.000 0.311 186 V C 0.135 176.271 176.094 0.070 0.000 1.073 186 V CA -1.224 61.159 62.300 0.138 0.000 0.921 186 V CB 1.489 33.404 31.823 0.153 0.000 1.009 186 V HN 0.003 nan 8.190 nan 0.000 0.426 187 V N 1.120 121.059 119.914 0.042 0.000 2.509 187 V HA 0.864 4.984 4.120 -0.001 0.000 0.284 187 V C 0.431 176.545 176.094 0.034 0.000 1.047 187 V CA 0.367 62.644 62.300 -0.039 0.000 0.952 187 V CB 0.808 32.547 31.823 -0.141 0.000 0.988 187 V HN 1.315 nan 8.190 nan 0.000 0.469 188 T N 2.881 117.454 114.554 0.031 0.000 2.829 188 T HA 0.796 5.146 4.350 -0.001 0.000 0.280 188 T C -0.619 174.119 174.700 0.063 0.000 0.999 188 T CA -0.622 61.549 62.100 0.119 0.000 0.983 188 T CB 1.386 70.327 68.868 0.121 0.000 0.968 188 T HN 0.674 nan 8.240 nan 0.000 0.446 189 I N 3.092 123.706 120.570 0.074 0.000 2.465 189 I HA 0.526 4.695 4.170 -0.001 0.000 0.291 189 I C -1.184 175.026 176.117 0.155 0.000 1.014 189 I CA -1.064 60.194 61.300 -0.070 0.000 1.093 189 I CB 1.905 39.576 38.000 -0.549 0.000 1.267 189 I HN 0.644 nan 8.210 nan 0.000 0.431 190 F N 5.153 125.134 119.950 0.051 0.000 2.427 190 F HA 0.527 5.054 4.527 -0.001 0.000 0.348 190 F C -0.293 175.614 175.800 0.178 0.000 1.125 190 F CA -0.266 57.836 58.000 0.170 0.000 0.989 190 F CB 1.456 40.556 39.000 0.166 0.000 1.165 190 F HN 0.320 nan 8.300 nan 0.000 0.442 191 T N 4.306 118.628 114.554 -0.386 0.000 2.829 191 T HA 0.384 4.734 4.350 -0.001 0.000 0.282 191 T C -0.463 173.844 174.700 -0.655 0.000 0.990 191 T CA -0.401 61.437 62.100 -0.438 0.000 1.028 191 T CB 1.407 70.212 68.868 -0.105 0.000 0.951 191 T HN 0.618 nan 8.240 nan 0.000 0.460 192 T N 2.066 116.318 114.554 -0.502 0.000 2.812 192 T HA 0.282 4.632 4.350 -0.001 0.000 0.282 192 T C 0.284 174.916 174.700 -0.113 0.000 0.990 192 T CA -0.665 61.311 62.100 -0.206 0.000 0.960 192 T CB 0.412 69.295 68.868 0.026 0.000 0.948 192 T HN 0.643 nan 8.240 nan 0.000 0.438 193 H N 2.779 121.883 119.070 0.056 0.000 2.537 193 H HA 0.580 5.135 4.556 -0.001 0.000 0.295 193 H C 0.586 175.987 175.328 0.121 0.000 1.054 193 H CA 0.062 56.155 56.048 0.075 0.000 1.156 193 H CB 0.312 30.122 29.762 0.080 0.000 1.468 193 H HN 0.766 nan 8.280 nan 0.000 0.551 194 A N 0.397 123.363 122.820 0.244 0.000 2.450 194 A HA 0.286 4.606 4.320 -0.001 0.000 0.300 194 A C -0.394 177.380 177.584 0.317 0.000 0.936 194 A CA -0.392 51.813 52.037 0.280 0.000 0.570 194 A CB 0.107 19.293 19.000 0.311 0.000 1.440 194 A HN 0.187 nan 8.150 nan 0.000 0.490 195 T N -1.089 113.675 114.554 0.350 0.000 2.924 195 T HA 0.674 5.024 4.350 -0.001 0.000 0.291 195 T C 0.978 175.848 174.700 0.283 0.000 1.045 195 T CA -0.233 62.057 62.100 0.317 0.000 1.015 195 T CB 1.217 70.268 68.868 0.306 0.000 1.103 195 T HN 0.849 nan 8.240 nan 0.000 0.496 196 L N 0.584 121.948 121.223 0.235 0.000 2.027 196 L HA 0.066 4.406 4.340 -0.001 0.000 0.206 196 L C 2.579 179.577 176.870 0.212 0.000 1.074 196 L CA 1.099 56.061 54.840 0.204 0.000 0.745 196 L CB -0.425 41.652 42.059 0.031 0.000 0.898 196 L HN 0.679 nan 8.230 nan 0.000 0.433 197 L N -1.031 120.298 121.223 0.177 0.000 2.141 197 L HA -0.110 4.230 4.340 -0.001 0.000 0.209 197 L C 2.594 179.506 176.870 0.070 0.000 1.094 197 L CA 1.058 55.968 54.840 0.117 0.000 0.763 197 L CB -1.076 41.069 42.059 0.144 0.000 0.908 197 L HN 0.328 nan 8.230 nan 0.000 0.437 198 G N 0.110 108.977 108.800 0.111 0.000 2.514 198 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.217 198 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.217 198 G C 1.695 176.146 174.900 -0.747 0.000 1.198 198 G CA 0.530 45.552 45.100 -0.129 0.000 0.780 198 G HN 0.241 nan 8.290 nan 0.000 0.565 199 R N -0.620 119.597 120.500 -0.473 0.000 2.082 199 R HA -0.121 4.218 4.340 -0.001 0.000 0.234 199 R C 2.412 178.372 176.300 -0.566 0.000 1.136 199 R CA 1.690 57.446 56.100 -0.573 0.000 0.935 199 R CB -0.884 29.268 30.300 -0.246 0.000 0.842 199 R HN 0.488 nan 8.270 nan 0.000 0.430 200 Y N 1.162 121.180 120.300 -0.470 0.000 2.333 200 Y HA -0.142 4.407 4.550 -0.001 0.000 0.290 200 Y C 2.356 177.859 175.900 -0.662 0.000 1.144 200 Y CA 1.024 58.709 58.100 -0.692 0.000 1.228 200 Y CB -0.196 37.591 38.460 -1.121 0.000 0.985 200 Y HN 0.027 nan 8.280 nan 0.000 0.542 201 L N -1.953 119.089 121.223 -0.300 0.000 2.068 201 L HA -0.213 4.127 4.340 -0.001 0.000 0.204 201 L C 2.081 178.862 176.870 -0.149 0.000 1.076 201 L CA 0.834 55.636 54.840 -0.064 0.000 0.753 201 L CB -0.661 41.467 42.059 0.116 0.000 0.910 201 L HN 0.233 nan 8.230 nan 0.000 0.439 202 C N 0.247 119.270 119.300 -0.461 0.000 2.491 202 C HA 0.044 4.504 4.460 -0.001 0.000 0.277 202 C C 2.551 177.453 174.990 -0.146 0.000 1.455 202 C CA 0.356 59.156 59.018 -0.364 0.000 1.758 202 C CB -1.342 25.932 27.740 -0.777 0.000 1.745 202 C HN 0.502 nan 8.230 nan 0.000 0.558 203 A N 0.812 123.527 122.820 -0.174 0.000 2.261 203 A HA 0.089 4.408 4.320 -0.001 0.000 0.208 203 A C 1.981 179.573 177.584 0.015 0.000 1.223 203 A CA 1.340 53.322 52.037 -0.092 0.000 0.833 203 A CB -0.284 18.610 19.000 -0.177 0.000 0.830 203 A HN 0.682 nan 8.150 nan 0.000 0.483 204 S N -2.481 113.253 115.700 0.057 0.000 2.665 204 S HA 0.530 4.999 4.470 -0.001 0.000 0.240 204 S C 0.983 175.642 174.600 0.098 0.000 1.081 204 S CA 0.885 59.140 58.200 0.092 0.000 0.887 204 S CB -0.021 63.253 63.200 0.122 0.000 0.805 204 S HN 1.971 nan 8.310 nan 0.000 0.486 209 F N 0.478 120.553 119.950 0.208 0.000 1.963 209 F HA 0.234 4.761 4.527 -0.000 0.000 0.218 209 F C 1.077 176.911 175.800 0.055 0.000 1.249 209 F CA -0.307 57.708 58.000 0.025 0.000 1.294 209 F CB -0.099 38.761 39.000 -0.233 0.000 1.877 209 F HN 0.413 nan 8.300 nan 0.000 0.210 210 Y N 2.190 122.584 120.300 0.156 0.000 2.425 210 Y HA -0.278 4.272 4.550 -0.001 0.000 0.285 210 Y C 1.883 177.808 175.900 0.043 0.000 1.170 210 Y CA 1.509 59.622 58.100 0.022 0.000 1.304 210 Y CB -0.977 37.543 38.460 0.100 0.000 0.972 210 Y HN 0.203 nan 8.280 nan 0.000 0.558 211 N N -0.267 118.544 118.700 0.185 0.000 2.202 211 N HA -0.096 4.644 4.740 -0.001 0.000 0.191 211 N C 1.576 177.127 175.510 0.067 0.000 1.054 211 N CA 1.610 54.742 53.050 0.138 0.000 0.877 211 N CB -1.067 37.505 38.487 0.142 0.000 1.057 211 N HN 0.392 nan 8.380 nan 0.000 0.456 212 C N 2.166 121.495 119.300 0.049 0.000 2.460 212 C HA 0.302 4.762 4.460 -0.001 0.000 0.322 212 C C 2.089 177.051 174.990 -0.045 0.000 1.333 212 C CA -0.700 58.330 59.018 0.020 0.000 1.631 212 C CB -2.163 25.608 27.740 0.052 0.000 1.672 212 C HN 0.397 nan 8.230 nan 0.000 0.596 213 L N -0.150 120.979 121.223 -0.157 0.000 2.418 213 L HA 0.209 4.549 4.340 -0.001 0.000 0.218 213 L C 1.976 178.707 176.870 -0.231 0.000 1.125 213 L CA 1.391 56.060 54.840 -0.285 0.000 0.835 213 L CB -1.178 40.457 42.059 -0.707 0.000 0.953 213 L HN 0.352 nan 8.230 nan 0.000 0.454 214 E N 0.655 120.723 120.200 -0.219 0.000 2.494 214 E HA 0.051 4.401 4.350 -0.001 0.000 0.193 214 E C 0.701 177.289 176.600 -0.020 0.000 1.074 214 E CA 0.699 56.960 56.400 -0.232 0.000 0.867 214 E CB -0.195 29.329 29.700 -0.293 0.000 0.924 214 E HN 0.726 nan 8.360 nan 0.000 0.502 215 S N -0.593 115.099 115.700 -0.014 0.000 3.101 215 S HA 0.152 4.621 4.470 -0.001 0.000 0.252 215 S C 0.167 174.780 174.600 0.022 0.000 0.920 215 S CA -0.609 57.602 58.200 0.020 0.000 1.158 215 S CB -0.234 62.978 63.200 0.021 0.000 1.125 215 S HN 0.090 nan 8.310 nan 0.000 0.608 216 V N -0.245 119.682 119.914 0.021 0.000 2.617 216 V HA 0.648 4.768 4.120 -0.001 0.000 0.298 216 V C -0.197 175.922 176.094 0.042 0.000 1.048 216 V CA -0.712 61.611 62.300 0.038 0.000 0.964 216 V CB 1.113 32.968 31.823 0.054 0.000 1.004 216 V HN 0.256 nan 8.190 nan 0.000 0.466 217 D N 2.640 123.069 120.400 0.047 0.000 2.359 217 D HA 0.199 4.839 4.640 -0.001 0.000 0.250 217 D C 1.135 177.463 176.300 0.047 0.000 1.264 217 D CA 0.219 54.247 54.000 0.048 0.000 0.911 217 D CB 1.220 42.041 40.800 0.034 0.000 1.056 217 D HN 0.573 nan 8.370 nan 0.000 0.499 218 V N 1.956 121.875 119.914 0.007 0.000 2.255 218 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 218 V C 1.637 177.624 176.094 -0.179 0.000 1.051 218 V CA 1.550 63.782 62.300 -0.112 0.000 1.018 218 V CB -0.570 31.192 31.823 -0.101 0.000 0.641 218 V HN 0.335 nan 8.190 nan 0.000 0.445 219 D N -0.655 119.723 120.400 -0.037 0.000 2.221 219 D HA -0.184 4.455 4.640 -0.001 0.000 0.204 219 D C 2.099 178.410 176.300 0.018 0.000 0.982 219 D CA 1.857 55.896 54.000 0.065 0.000 0.857 219 D CB -0.391 40.490 40.800 0.134 0.000 0.934 219 D HN 0.798 nan 8.370 nan 0.000 0.475 220 H N 0.590 119.616 119.070 -0.073 0.000 2.399 220 H HA 0.046 4.602 4.556 -0.001 0.000 0.300 220 H C 1.482 176.747 175.328 -0.105 0.000 1.048 220 H CA 0.733 56.727 56.048 -0.091 0.000 1.370 220 H CB 0.637 30.352 29.762 -0.077 0.000 1.428 220 H HN 0.021 nan 8.280 nan 0.000 0.534 221 E N 1.033 121.154 120.200 -0.133 0.000 2.072 221 E HA -0.080 4.269 4.350 -0.001 0.000 0.191 221 E C 2.353 178.887 176.600 -0.110 0.000 0.985 221 E CA 0.815 57.114 56.400 -0.169 0.000 0.801 221 E CB -0.306 29.430 29.700 0.060 0.000 0.750 221 E HN 0.511 nan 8.360 nan 0.000 0.452 222 A N 1.645 124.405 122.820 -0.100 0.000 1.908 222 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 222 A C 2.484 180.053 177.584 -0.024 0.000 1.181 222 A CA 2.090 54.085 52.037 -0.069 0.000 0.627 222 A CB -1.206 17.666 19.000 -0.213 0.000 0.818 222 A HN 0.340 nan 8.150 nan 0.000 0.445 223 G N -0.454 108.289 108.800 -0.096 0.000 2.453 223 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.215 223 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.215 223 G C 1.659 176.415 174.900 -0.240 0.000 1.201 223 G CA 1.184 46.189 45.100 -0.157 0.000 0.784 223 G HN 0.616 nan 8.290 nan 0.000 0.545 224 R N -0.606 119.620 120.500 -0.457 0.000 2.204 224 R HA -0.131 4.208 4.340 -0.001 0.000 0.253 224 R C 1.800 177.813 176.300 -0.479 0.000 1.172 224 R CA 1.611 57.384 56.100 -0.545 0.000 0.994 224 R CB -0.379 29.455 30.300 -0.776 0.000 0.874 224 R HN 0.403 nan 8.270 nan 0.000 0.462 225 F N -0.788 119.053 119.950 -0.182 0.000 2.749 225 F HA 0.344 4.871 4.527 -0.000 0.000 0.300 225 F C 1.472 177.165 175.800 -0.180 0.000 1.103 225 F CA 0.562 58.449 58.000 -0.189 0.000 1.342 225 F CB 0.757 39.544 39.000 -0.354 0.000 1.098 225 F HN 0.237 nan 8.300 nan 0.000 0.586 226 G N 0.867 109.674 108.800 0.012 0.000 2.212 226 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.255 226 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.255 226 G C 0.602 175.522 174.900 0.033 0.000 1.062 226 G CA 0.311 45.439 45.100 0.046 0.000 0.815 226 G HN 0.225 nan 8.290 nan 0.000 0.497 227 I N -0.979 119.556 120.570 -0.058 0.000 4.154 227 I HA 0.198 4.367 4.170 -0.001 0.000 0.334 227 I C 1.955 177.937 176.117 -0.224 0.000 1.371 227 I CA -0.643 60.496 61.300 -0.268 0.000 1.110 227 I CB -0.852 36.888 38.000 -0.432 0.000 1.085 227 I HN 0.319 nan 8.210 nan 0.000 0.398 228 Y N 3.430 123.686 120.300 -0.075 0.000 2.069 228 Y HA -0.353 4.197 4.550 -0.001 0.000 0.278 228 Y C 2.956 178.881 175.900 0.040 0.000 1.175 228 Y CA 2.637 60.754 58.100 0.027 0.000 1.134 228 Y CB -0.412 38.104 38.460 0.092 0.000 0.965 228 Y HN 0.435 nan 8.280 nan 0.000 0.498 229 H N -0.673 118.387 119.070 -0.016 0.000 2.421 229 H HA -0.084 4.472 4.556 -0.001 0.000 0.298 229 H C 2.104 177.321 175.328 -0.185 0.000 1.087 229 H CA 1.694 57.694 56.048 -0.079 0.000 1.330 229 H CB -0.758 29.021 29.762 0.028 0.000 1.388 229 H HN 0.372 nan 8.280 nan 0.000 0.526 230 R N -0.050 120.008 120.500 -0.736 0.000 2.066 230 R HA -0.132 4.208 4.340 -0.001 0.000 0.232 230 R C 2.404 178.297 176.300 -0.678 0.000 1.131 230 R CA 1.327 56.927 56.100 -0.833 0.000 0.955 230 R CB -0.714 28.958 30.300 -1.046 0.000 0.851 230 R HN 0.309 nan 8.270 nan 0.000 0.432 231 Y N 1.414 121.358 120.300 -0.594 0.000 2.151 231 Y HA -0.341 4.208 4.550 -0.001 0.000 0.284 231 Y C 2.309 177.979 175.900 -0.382 0.000 1.166 231 Y CA 1.314 59.155 58.100 -0.431 0.000 1.163 231 Y CB -0.444 37.822 38.460 -0.323 0.000 0.974 231 Y HN 0.061 nan 8.280 nan 0.000 0.511 232 C N 0.259 119.283 119.300 -0.459 0.000 2.425 232 C HA -0.169 4.291 4.460 -0.001 0.000 0.277 232 C C 2.753 177.535 174.990 -0.346 0.000 1.280 232 C CA 1.210 59.971 59.018 -0.428 0.000 1.744 232 C CB -1.400 26.139 27.740 -0.335 0.000 1.989 232 C HN 0.622 nan 8.230 nan 0.000 0.491 233 I N 0.652 121.052 120.570 -0.283 0.000 2.233 233 I HA -0.182 3.988 4.170 -0.001 0.000 0.243 233 I C 2.656 178.641 176.117 -0.220 0.000 1.093 233 I CA 1.589 62.786 61.300 -0.173 0.000 1.380 233 I CB -0.709 37.295 38.000 0.007 0.000 1.067 233 I HN 0.392 nan 8.210 nan 0.000 0.413 234 E N 1.240 121.283 120.200 -0.260 0.000 2.118 234 E HA -0.278 4.072 4.350 -0.001 0.000 0.195 234 E C 2.396 178.794 176.600 -0.338 0.000 0.992 234 E CA 1.290 57.592 56.400 -0.163 0.000 0.804 234 E CB 0.035 29.649 29.700 -0.142 0.000 0.741 234 E HN 0.258 nan 8.360 nan 0.000 0.458 235 R N -0.229 119.960 120.500 -0.518 0.000 2.062 235 R HA -0.101 4.238 4.340 -0.001 0.000 0.231 235 R C 2.322 178.400 176.300 -0.369 0.000 1.136 235 R CA 1.186 56.985 56.100 -0.502 0.000 0.948 235 R CB -0.324 29.635 30.300 -0.568 0.000 0.845 235 R HN 0.204 nan 8.270 nan 0.000 0.430 236 A N 1.009 123.645 122.820 -0.307 0.000 1.892 236 A HA -0.214 4.106 4.320 -0.001 0.000 0.218 236 A C 2.369 179.728 177.584 -0.376 0.000 1.188 236 A CA 2.055 53.939 52.037 -0.255 0.000 0.631 236 A CB -0.943 17.919 19.000 -0.230 0.000 0.822 236 A HN 0.559 nan 8.150 nan 0.000 0.447 237 A N -0.266 122.234 122.820 -0.534 0.000 1.892 237 A HA 0.048 4.367 4.320 -0.001 0.000 0.218 237 A C 2.509 179.544 177.584 -0.915 0.000 1.188 237 A CA 2.553 54.053 52.037 -0.895 0.000 0.631 237 A CB -1.085 17.071 19.000 -1.407 0.000 0.822 237 A HN 1.230 nan 8.150 nan 0.000 0.447 238 A N -1.971 120.365 122.820 -0.807 0.000 2.014 238 A HA -0.104 4.216 4.320 -0.001 0.000 0.218 238 A C 1.982 179.084 177.584 -0.802 0.000 1.163 238 A CA 1.451 52.952 52.037 -0.894 0.000 0.652 238 A CB -0.659 17.558 19.000 -1.305 0.000 0.808 238 A HN 0.681 nan 8.150 nan 0.000 0.449 239 H N -0.952 117.866 119.070 -0.420 0.000 2.520 239 H HA 0.119 4.675 4.556 -0.001 0.000 0.279 239 H C 2.119 177.312 175.328 -0.224 0.000 0.990 239 H CA 1.187 57.062 56.048 -0.288 0.000 1.288 239 H CB 0.052 29.666 29.762 -0.247 0.000 1.446 239 H HN 0.464 nan 8.280 nan 0.000 0.538 240 S N 0.809 116.418 115.700 -0.153 0.000 2.428 240 S HA 0.100 4.570 4.470 -0.001 0.000 0.230 240 S C 1.363 175.880 174.600 -0.139 0.000 1.014 240 S CA 0.301 58.406 58.200 -0.159 0.000 0.957 240 S CB -0.015 63.051 63.200 -0.223 0.000 0.784 240 S HN 0.415 nan 8.310 nan 0.000 0.499 241 A N 1.906 124.645 122.820 -0.135 0.000 2.445 241 A HA 0.187 4.507 4.320 -0.001 0.000 0.242 241 A C 0.737 178.310 177.584 -0.019 0.000 1.075 241 A CA -0.333 51.677 52.037 -0.045 0.000 0.777 241 A CB 0.135 19.181 19.000 0.077 0.000 1.013 241 A HN 0.130 nan 8.150 nan 0.000 0.493 242 D N 0.178 120.566 120.400 -0.020 0.000 2.183 242 D HA 0.037 4.677 4.640 -0.001 0.000 0.203 242 D C 0.166 176.453 176.300 -0.021 0.000 0.969 242 D CA 1.372 55.348 54.000 -0.041 0.000 0.842 242 D CB -0.031 40.723 40.800 -0.076 0.000 0.957 242 D HN 0.200 nan 8.370 nan 0.000 0.484 243 V N 1.217 121.132 119.914 0.003 0.000 2.577 243 V HA 0.270 4.389 4.120 -0.001 0.000 0.303 243 V C -1.060 175.102 176.094 0.114 0.000 1.042 243 V CA -1.013 61.294 62.300 0.012 0.000 0.872 243 V CB 2.281 34.062 31.823 -0.070 0.000 0.998 243 V HN -0.108 nan 8.190 nan 0.000 0.423 244 F N 5.087 125.017 119.950 -0.034 0.000 2.444 244 F HA 0.812 5.339 4.527 -0.001 0.000 0.342 244 F C 0.280 176.052 175.800 -0.047 0.000 1.121 244 F CA -0.383 57.616 58.000 -0.002 0.000 0.997 244 F CB 1.614 40.623 39.000 0.015 0.000 1.130 244 F HN 0.644 nan 8.300 nan 0.000 0.454 245 T N 1.420 115.611 114.554 -0.604 0.000 2.887 245 T HA 0.851 5.201 4.350 -0.001 0.000 0.292 245 T C -0.358 173.911 174.700 -0.719 0.000 1.087 245 T CA -0.435 61.301 62.100 -0.606 0.000 1.009 245 T CB 1.730 70.389 68.868 -0.349 0.000 1.203 245 T HN 0.789 nan 8.240 nan 0.000 0.518 246 T N -2.087 112.176 114.554 -0.486 0.000 2.865 246 T HA 0.526 4.876 4.350 -0.001 0.000 0.294 246 T C 1.359 175.893 174.700 -0.277 0.000 1.119 246 T CA -0.169 61.712 62.100 -0.364 0.000 1.007 246 T CB 1.118 69.838 68.868 -0.248 0.000 1.225 246 T HN 1.079 nan 8.240 nan 0.000 0.515 247 V N -0.607 119.151 119.914 -0.261 0.000 2.667 247 V HA 0.228 4.348 4.120 -0.001 0.000 0.252 247 V C 1.019 177.055 176.094 -0.097 0.000 1.065 247 V CA 1.083 63.241 62.300 -0.236 0.000 1.083 247 V CB -1.534 30.166 31.823 -0.206 0.000 0.692 247 V HN 1.159 nan 8.190 nan 0.000 0.468 248 S N -2.477 113.234 115.700 0.018 0.000 2.595 248 S HA 0.459 4.929 4.470 -0.001 0.000 0.281 248 S C 0.358 175.024 174.600 0.109 0.000 1.117 248 S CA -0.626 57.660 58.200 0.144 0.000 0.873 248 S CB 2.298 65.641 63.200 0.238 0.000 1.108 248 S HN 0.033 nan 8.310 nan 0.000 0.477 249 Q N 0.409 120.292 119.800 0.138 0.000 2.061 249 Q HA -0.085 4.255 4.340 -0.001 0.000 0.204 249 Q C 1.861 177.951 176.000 0.151 0.000 0.984 249 Q CA 1.889 57.766 55.803 0.123 0.000 0.846 249 Q CB -0.648 28.159 28.738 0.115 0.000 0.902 249 Q HN 0.865 nan 8.270 nan 0.000 0.421 250 I N 0.311 120.969 120.570 0.146 0.000 2.179 250 I HA -0.223 3.947 4.170 -0.001 0.000 0.242 250 I C 1.876 178.177 176.117 0.306 0.000 1.088 250 I CA 1.785 63.204 61.300 0.198 0.000 1.357 250 I CB -0.674 37.400 38.000 0.123 0.000 1.051 250 I HN 0.075 nan 8.210 nan 0.000 0.409 251 T N 0.859 115.547 114.554 0.223 0.000 2.962 251 T HA -0.031 4.318 4.350 -0.001 0.000 0.270 251 T C 1.846 176.662 174.700 0.194 0.000 1.088 251 T CA 1.143 63.373 62.100 0.217 0.000 1.127 251 T CB -0.430 68.519 68.868 0.134 0.000 0.883 251 T HN 0.535 nan 8.240 nan 0.000 0.493 252 A N 0.521 123.439 122.820 0.163 0.000 1.968 252 A HA 0.082 4.402 4.320 -0.001 0.000 0.217 252 A C 1.907 179.618 177.584 0.213 0.000 1.169 252 A CA 0.833 52.939 52.037 0.116 0.000 0.638 252 A CB -0.705 18.334 19.000 0.065 0.000 0.812 252 A HN 0.590 nan 8.150 nan 0.000 0.446 253 F N 0.854 120.895 119.950 0.151 0.000 2.163 253 F HA -0.071 4.456 4.527 -0.001 0.000 0.297 253 F C 2.100 178.053 175.800 0.255 0.000 1.094 253 F CA 1.851 59.976 58.000 0.208 0.000 1.290 253 F CB -0.203 38.906 39.000 0.181 0.000 1.017 253 F HN 0.378 nan 8.300 nan 0.000 0.483 254 E N 0.741 120.998 120.200 0.094 0.000 2.085 254 E HA -0.253 4.097 4.350 -0.001 0.000 0.194 254 E C 2.239 178.872 176.600 0.056 0.000 0.994 254 E CA 1.279 57.677 56.400 -0.003 0.000 0.801 254 E CB -0.388 29.488 29.700 0.293 0.000 0.743 254 E HN 0.511 nan 8.360 nan 0.000 0.453 255 A N 1.277 124.185 122.820 0.147 0.000 1.877 255 A HA -0.242 4.077 4.320 -0.001 0.000 0.216 255 A C 2.099 179.783 177.584 0.167 0.000 1.186 255 A CA 1.699 53.859 52.037 0.205 0.000 0.620 255 A CB -0.696 18.451 19.000 0.245 0.000 0.822 255 A HN 0.507 nan 8.150 nan 0.000 0.443 256 E N -0.872 119.393 120.200 0.109 0.000 2.070 256 E HA -0.303 4.047 4.350 -0.001 0.000 0.197 256 E C 1.768 178.308 176.600 -0.099 0.000 1.004 256 E CA 1.877 58.285 56.400 0.014 0.000 0.805 256 E CB -0.218 29.454 29.700 -0.047 0.000 0.744 256 E HN 0.801 nan 8.360 nan 0.000 0.451 257 H N -0.704 118.296 119.070 -0.116 0.000 2.482 257 H HA 0.101 4.657 4.556 -0.001 0.000 0.286 257 H C 1.775 177.085 175.328 -0.030 0.000 1.017 257 H CA 0.963 56.942 56.048 -0.114 0.000 1.322 257 H CB 0.260 29.861 29.762 -0.268 0.000 1.426 257 H HN 0.160 nan 8.280 nan 0.000 0.546 258 L N -0.627 120.665 121.223 0.116 0.000 2.253 258 L HA 0.064 4.404 4.340 -0.001 0.000 0.205 258 L C 1.371 178.393 176.870 0.254 0.000 1.078 258 L CA 0.570 55.513 54.840 0.172 0.000 0.805 258 L CB 0.163 42.333 42.059 0.185 0.000 0.963 258 L HN 0.240 nan 8.230 nan 0.000 0.459 259 L N -1.064 120.258 121.223 0.165 0.000 2.556 259 L HA 0.116 4.456 4.340 -0.001 0.000 0.226 259 L C 0.304 177.200 176.870 0.043 0.000 1.089 259 L CA -0.040 54.833 54.840 0.055 0.000 0.864 259 L CB 0.280 42.302 42.059 -0.062 0.000 1.067 259 L HN 0.108 nan 8.230 nan 0.000 0.477 260 K N 0.906 121.349 120.400 0.073 0.000 3.235 260 K HA -0.156 4.164 4.320 -0.001 0.000 0.273 260 K C -0.110 176.563 176.600 0.122 0.000 1.183 260 K CA 0.607 56.949 56.287 0.092 0.000 0.807 260 K CB -1.738 30.849 32.500 0.145 0.000 1.297 260 K HN 0.451 nan 8.250 nan 0.000 0.508 261 R N 0.671 121.189 120.500 0.030 0.000 2.548 261 R HA 0.283 4.623 4.340 -0.001 0.000 0.280 261 R C -1.045 175.367 176.300 0.187 0.000 1.061 261 R CA -0.847 55.290 56.100 0.061 0.000 0.915 261 R CB 1.501 31.704 30.300 -0.162 0.000 1.210 261 R HN 0.127 nan 8.270 nan 0.000 0.442 262 K N 5.283 125.770 120.400 0.146 0.000 2.349 262 K HA 0.236 4.556 4.320 -0.001 0.000 0.289 262 K C -2.162 174.551 176.600 0.188 0.000 1.064 262 K CA -1.558 54.812 56.287 0.139 0.000 0.947 262 K CB 0.725 33.269 32.500 0.073 0.000 1.007 262 K HN 0.308 nan 8.250 nan 0.000 0.478 263 P HA -0.080 nan 4.420 nan 0.000 0.263 263 P C -0.686 176.592 177.300 -0.037 0.000 1.175 263 P CA 0.194 63.232 63.100 -0.104 0.000 0.761 263 P CB 0.517 32.060 31.700 -0.262 0.000 0.794 264 D N 1.226 121.598 120.400 -0.047 0.000 2.349 264 D HA 0.181 4.821 4.640 -0.001 0.000 0.224 264 D C 1.166 177.434 176.300 -0.053 0.000 1.029 264 D CA 0.787 54.772 54.000 -0.026 0.000 0.879 264 D CB 0.206 40.997 40.800 -0.015 0.000 0.906 264 D HN 0.534 nan 8.370 nan 0.000 0.528 265 G N -0.372 108.370 108.800 -0.096 0.000 2.322 265 G HA2 0.350 4.310 3.960 -0.001 0.000 0.295 265 G HA3 0.350 4.310 3.960 -0.001 0.000 0.295 265 G C -1.895 172.930 174.900 -0.124 0.000 1.369 265 G CA -0.734 44.316 45.100 -0.083 0.000 0.821 265 G HN -0.078 nan 8.290 nan 0.000 0.536 266 I N 0.322 120.840 120.570 -0.087 0.000 2.530 266 I HA 0.533 4.703 4.170 -0.001 0.000 0.297 266 I C -0.242 175.803 176.117 -0.120 0.000 1.011 266 I CA -1.072 60.166 61.300 -0.102 0.000 1.107 266 I CB 1.549 39.530 38.000 -0.032 0.000 1.285 266 I HN 0.414 nan 8.210 nan 0.000 0.436 267 L N 7.180 128.300 121.223 -0.171 0.000 2.495 267 L HA 0.335 4.675 4.340 -0.001 0.000 0.248 267 L C -2.381 174.392 176.870 -0.162 0.000 1.229 267 L CA -1.523 53.245 54.840 -0.120 0.000 0.942 267 L CB 1.021 42.910 42.059 -0.283 0.000 1.242 267 L HN 0.259 nan 8.230 nan 0.000 0.484 268 P HA 0.050 nan 4.420 nan 0.000 0.269 268 P C -0.732 176.008 177.300 -0.933 0.000 1.209 268 P CA -0.206 62.396 63.100 -0.831 0.000 0.776 268 P CB 0.481 31.607 31.700 -0.956 0.000 0.876 269 N N 1.219 118.934 118.700 -1.641 0.000 2.411 269 N HA 0.310 5.050 4.740 -0.001 0.000 0.259 269 N C 0.714 175.586 175.510 -1.064 0.000 1.103 269 N CA 0.150 52.500 53.050 -1.166 0.000 0.954 269 N CB 0.595 38.320 38.487 -1.270 0.000 1.085 269 N HN 0.454 nan 8.380 nan 0.000 0.485 270 G N 0.825 108.668 108.800 -1.595 0.000 2.557 270 G HA2 0.657 4.617 3.960 -0.001 0.000 0.302 270 G HA3 0.657 4.617 3.960 -0.001 0.000 0.302 270 G C -0.504 173.826 174.900 -0.949 0.000 1.311 270 G CA -0.283 44.020 45.100 -1.329 0.000 1.030 270 G HN 0.357 nan 8.290 nan 0.000 0.509 271 L N -1.258 119.679 121.223 -0.476 0.000 2.283 271 L HA 0.424 4.764 4.340 -0.001 0.000 0.259 271 L C -0.142 176.808 176.870 0.133 0.000 1.027 271 L CA -0.941 53.909 54.840 0.016 0.000 0.828 271 L CB 1.827 44.015 42.059 0.214 0.000 1.380 271 L HN 0.359 nan 8.230 nan 0.000 0.425 272 N N -0.402 118.462 118.700 0.273 0.000 2.968 272 N HA 0.189 4.929 4.740 -0.001 0.000 0.271 272 N C 0.879 176.524 175.510 0.226 0.000 1.174 272 N CA 0.019 53.202 53.050 0.222 0.000 1.096 272 N CB 0.438 38.998 38.487 0.122 0.000 1.403 272 N HN 0.461 nan 8.380 nan 0.000 0.522 273 V N 2.197 122.247 119.914 0.227 0.000 2.453 273 V HA -0.265 3.855 4.120 -0.001 0.000 0.252 273 V C 2.174 178.420 176.094 0.254 0.000 1.068 273 V CA 1.346 63.812 62.300 0.278 0.000 1.070 273 V CB -0.576 31.334 31.823 0.145 0.000 0.664 273 V HN 0.699 nan 8.190 nan 0.000 0.461 274 I N 0.385 121.037 120.570 0.137 0.000 2.423 274 I HA -0.288 3.882 4.170 -0.001 0.000 0.254 274 I C 2.439 178.577 176.117 0.036 0.000 1.151 274 I CA 1.866 63.213 61.300 0.078 0.000 1.421 274 I CB -0.187 37.835 38.000 0.037 0.000 1.079 274 I HN 0.325 nan 8.210 nan 0.000 0.431 275 K N 0.094 120.481 120.400 -0.022 0.000 2.555 275 K HA -0.122 4.198 4.320 -0.001 0.000 0.193 275 K C 1.089 177.433 176.600 -0.427 0.000 1.032 275 K CA 1.045 57.191 56.287 -0.235 0.000 1.004 275 K CB -0.004 32.295 32.500 -0.334 0.000 0.804 275 K HN 0.321 nan 8.250 nan 0.000 0.496 276 F N 0.326 120.284 119.950 0.013 0.000 2.482 276 F HA 0.196 4.723 4.527 -0.000 0.000 0.278 276 F C 1.101 176.909 175.800 0.015 0.000 0.969 276 F CA -0.263 57.747 58.000 0.017 0.000 1.223 276 F CB -0.087 38.928 39.000 0.026 0.000 1.140 276 F HN -0.124 nan 8.300 nan 0.000 0.672 286 H N 1.173 120.250 119.070 0.011 0.000 2.353 286 H HA -0.115 4.441 4.556 -0.000 0.000 0.298 286 H C 1.817 177.151 175.328 0.011 0.000 1.103 286 H CA 2.646 58.694 56.048 -0.000 0.000 1.293 286 H CB 0.189 29.960 29.762 0.016 0.000 1.372 286 H HN 0.417 nan 8.280 nan 0.000 0.501 287 A N 0.735 123.541 122.820 -0.023 0.000 1.877 287 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 287 A C 2.432 179.967 177.584 -0.081 0.000 1.186 287 A CA 1.552 53.556 52.037 -0.056 0.000 0.620 287 A CB -1.054 17.990 19.000 0.073 0.000 0.822 287 A HN 0.497 nan 8.150 nan 0.000 0.443 288 L N -0.999 120.201 121.223 -0.037 0.000 2.127 288 L HA -0.141 4.199 4.340 -0.001 0.000 0.211 288 L C 1.966 178.800 176.870 -0.059 0.000 1.089 288 L CA 2.294 57.116 54.840 -0.030 0.000 0.757 288 L CB -0.309 41.744 42.059 -0.010 0.000 0.899 288 L HN 0.190 nan 8.230 nan 0.000 0.434 289 K N -0.673 119.663 120.400 -0.107 0.000 2.242 289 K HA 0.012 4.332 4.320 -0.001 0.000 0.200 289 K C 2.029 178.533 176.600 -0.161 0.000 1.050 289 K CA 0.642 56.855 56.287 -0.123 0.000 0.981 289 K CB -0.194 32.229 32.500 -0.129 0.000 0.795 289 K HN 0.146 nan 8.250 nan 0.000 0.477 290 K N 0.900 121.150 120.400 -0.250 0.000 2.103 290 K HA -0.179 4.140 4.320 -0.001 0.000 0.207 290 K C 1.482 178.083 176.600 0.001 0.000 1.048 290 K CA 1.280 57.466 56.287 -0.170 0.000 0.930 290 K CB 0.159 32.489 32.500 -0.283 0.000 0.716 290 K HN 0.041 nan 8.250 nan 0.000 0.444 291 E N 0.769 120.962 120.200 -0.011 0.000 2.110 291 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 291 E C 1.867 178.488 176.600 0.035 0.000 0.988 291 E CA 0.940 57.361 56.400 0.037 0.000 0.804 291 E CB 0.083 29.796 29.700 0.022 0.000 0.745 291 E HN 0.216 nan 8.360 nan 0.000 0.458 292 K N 0.347 120.747 120.400 -0.001 0.000 2.147 292 K HA -0.071 4.249 4.320 -0.001 0.000 0.205 292 K C 2.244 178.858 176.600 0.023 0.000 1.049 292 K CA 0.659 56.947 56.287 0.000 0.000 0.936 292 K CB -0.143 32.339 32.500 -0.030 0.000 0.722 292 K HN 0.235 nan 8.250 nan 0.000 0.446 293 I N 1.258 121.825 120.570 -0.005 0.000 2.333 293 I HA -0.231 3.939 4.170 -0.001 0.000 0.246 293 I C 1.786 177.983 176.117 0.132 0.000 1.106 293 I CA 0.603 61.892 61.300 -0.018 0.000 1.411 293 I CB -0.353 37.471 38.000 -0.293 0.000 1.082 293 I HN 0.105 nan 8.210 nan 0.000 0.420 294 N N 1.373 120.186 118.700 0.189 0.000 2.036 294 N HA -0.230 4.510 4.740 -0.001 0.000 0.195 294 N C 1.436 177.027 175.510 0.135 0.000 1.037 294 N CA 1.705 54.900 53.050 0.242 0.000 0.855 294 N CB -0.642 37.972 38.487 0.211 0.000 1.033 294 N HN 0.286 nan 8.380 nan 0.000 0.423 295 D N 0.017 120.478 120.400 0.101 0.000 2.172 295 D HA -0.177 4.463 4.640 -0.001 0.000 0.196 295 D C 1.752 178.110 176.300 0.096 0.000 0.999 295 D CA 0.686 54.727 54.000 0.068 0.000 0.856 295 D CB -0.400 40.433 40.800 0.056 0.000 0.934 295 D HN 0.296 nan 8.370 nan 0.000 0.453 296 F N 1.170 121.137 119.950 0.030 0.000 2.128 296 F HA -0.129 4.398 4.527 -0.001 0.000 0.295 296 F C 2.115 178.009 175.800 0.158 0.000 1.100 296 F CA 0.798 58.834 58.000 0.059 0.000 1.260 296 F CB -0.413 38.603 39.000 0.026 0.000 1.009 296 F HN -0.217 nan 8.300 nan 0.000 0.476 297 V N 1.518 121.383 119.914 -0.082 0.000 2.469 297 V HA -0.277 3.843 4.120 -0.001 0.000 0.251 297 V C 2.501 178.518 176.094 -0.129 0.000 1.064 297 V CA 2.143 64.412 62.300 -0.051 0.000 1.066 297 V CB -0.820 31.153 31.823 0.251 0.000 0.667 297 V HN 0.330 nan 8.190 nan 0.000 0.461 298 R N 0.152 120.501 120.500 -0.252 0.000 2.075 298 R HA -0.016 4.324 4.340 -0.001 0.000 0.226 298 R C 2.499 178.682 176.300 -0.196 0.000 1.114 298 R CA 1.247 57.090 56.100 -0.429 0.000 0.972 298 R CB -0.732 29.359 30.300 -0.349 0.000 0.869 298 R HN 0.562 nan 8.270 nan 0.000 0.437 299 G N 0.019 108.750 108.800 -0.115 0.000 2.470 299 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.220 299 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.220 299 G C 1.197 176.118 174.900 0.034 0.000 1.121 299 G CA 0.558 45.638 45.100 -0.033 0.000 0.766 299 G HN 0.368 nan 8.290 nan 0.000 0.553 300 H N -0.862 118.077 119.070 -0.218 0.000 2.418 300 H HA 0.152 4.708 4.556 -0.001 0.000 0.300 300 H C 0.921 176.079 175.328 -0.283 0.000 1.041 300 H CA 0.319 56.200 56.048 -0.279 0.000 1.364 300 H CB 0.240 29.638 29.762 -0.608 0.000 1.439 300 H HN 0.380 nan 8.280 nan 0.000 0.540 301 F N 1.694 121.529 119.950 -0.191 0.000 2.645 301 F HA 0.073 4.600 4.527 -0.001 0.000 0.300 301 F C 0.497 176.170 175.800 -0.212 0.000 1.115 301 F CA -0.574 57.318 58.000 -0.180 0.000 1.355 301 F CB -0.333 38.667 39.000 -0.000 0.000 1.026 301 F HN 0.270 nan 8.300 nan 0.000 0.536 302 H N -1.061 117.986 119.070 -0.039 0.000 3.092 302 H HA 0.316 4.872 4.556 -0.000 0.000 0.332 302 H C 1.351 176.683 175.328 0.007 0.000 1.029 302 H CA -0.117 55.912 56.048 -0.033 0.000 1.376 302 H CB 0.260 29.984 29.762 -0.063 0.000 1.329 302 H HN 0.322 nan 8.280 nan 0.000 0.598 303 G N 1.599 110.475 108.800 0.127 0.000 2.205 303 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.261 303 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.261 303 G C 0.474 175.398 174.900 0.040 0.000 0.980 303 G CA 0.503 45.651 45.100 0.081 0.000 0.632 303 G HN 1.744 nan 8.290 nan 0.000 0.533 304 C N -3.134 116.208 119.300 0.068 0.000 2.996 304 C HA 0.622 5.081 4.460 -0.001 0.000 0.221 304 C C -0.319 174.803 174.990 0.220 0.000 1.122 304 C CA -1.400 57.687 59.018 0.115 0.000 1.040 304 C CB -1.013 26.778 27.740 0.086 0.000 1.804 304 C HN 0.892 nan 8.230 nan 0.000 0.659 305 F N 4.239 124.161 119.950 -0.047 0.000 2.425 305 F HA 0.453 4.979 4.527 -0.000 0.000 0.354 305 F C 0.607 176.229 175.800 -0.297 0.000 1.162 305 F CA -0.871 56.990 58.000 -0.231 0.000 1.250 305 F CB 0.247 39.118 39.000 -0.215 0.000 1.579 305 F HN 0.635 nan 8.300 nan 0.000 0.589 306 D N 2.639 122.875 120.400 -0.273 0.000 2.388 306 D HA 0.142 4.781 4.640 -0.001 0.000 0.221 306 D C -0.328 175.861 176.300 -0.185 0.000 1.133 306 D CA -0.051 53.831 54.000 -0.198 0.000 0.831 306 D CB -0.690 40.125 40.800 0.025 0.000 0.962 306 D HN 0.175 nan 8.370 nan 0.000 0.502 307 F N -1.853 117.857 119.950 -0.400 0.000 2.650 307 F HA 0.616 5.142 4.527 -0.001 0.000 0.320 307 F C -0.756 174.812 175.800 -0.386 0.000 1.091 307 F CA -1.794 56.026 58.000 -0.301 0.000 0.962 307 F CB 0.966 39.859 39.000 -0.177 0.000 1.363 307 F HN -0.346 nan 8.300 nan 0.000 0.482 308 D N 1.526 121.930 120.400 0.008 0.000 2.359 308 D HA 0.303 4.943 4.640 -0.001 0.000 0.230 308 D C 0.859 177.207 176.300 0.081 0.000 1.118 308 D CA -0.164 53.806 54.000 -0.049 0.000 0.844 308 D CB 1.117 41.891 40.800 -0.043 0.000 1.059 308 D HN 0.683 nan 8.370 nan 0.000 0.493 309 L N 2.438 123.728 121.223 0.112 0.000 2.191 309 L HA -0.121 4.218 4.340 -0.001 0.000 0.212 309 L C 1.106 178.034 176.870 0.096 0.000 1.103 309 L CA 0.848 55.803 54.840 0.191 0.000 0.769 309 L CB -0.050 42.172 42.059 0.272 0.000 0.908 309 L HN 0.411 nan 8.230 nan 0.000 0.438 310 D N -0.274 120.162 120.400 0.059 0.000 2.378 310 D HA -0.105 4.535 4.640 -0.001 0.000 0.227 310 D C 0.948 177.243 176.300 -0.007 0.000 1.012 310 D CA 0.830 54.850 54.000 0.032 0.000 0.905 310 D CB -0.037 40.776 40.800 0.022 0.000 0.895 310 D HN 0.195 nan 8.370 nan 0.000 0.532 311 N N -0.490 118.200 118.700 -0.017 0.000 2.387 311 N HA -0.002 4.738 4.740 -0.001 0.000 0.259 311 N C -1.165 174.292 175.510 -0.088 0.000 1.369 311 N CA -0.057 52.959 53.050 -0.057 0.000 0.867 311 N CB 0.794 39.255 38.487 -0.044 0.000 1.341 311 N HN -0.046 nan 8.380 nan 0.000 0.495 312 T N -1.571 112.921 114.554 -0.103 0.000 2.856 312 T HA 0.640 4.989 4.350 -0.001 0.000 0.283 312 T C -0.371 174.135 174.700 -0.323 0.000 1.008 312 T CA -0.709 61.274 62.100 -0.194 0.000 0.997 312 T CB 1.377 70.165 68.868 -0.132 0.000 0.992 312 T HN -0.052 nan 8.240 nan 0.000 0.454 313 L N 2.595 123.629 121.223 -0.315 0.000 2.334 313 L HA 0.502 4.842 4.340 -0.001 0.000 0.276 313 L C -1.020 175.853 176.870 0.005 0.000 1.014 313 L CA -1.298 53.431 54.840 -0.186 0.000 0.815 313 L CB 1.420 43.431 42.059 -0.081 0.000 1.268 313 L HN 0.682 nan 8.230 nan 0.000 0.428 314 Y N 2.134 122.828 120.300 0.656 0.000 2.353 314 Y HA 0.443 4.993 4.550 -0.001 0.000 0.340 314 Y C -0.135 176.195 175.900 0.717 0.000 0.972 314 Y CA -0.695 57.745 58.100 0.567 0.000 1.157 314 Y CB 0.745 39.510 38.460 0.509 0.000 1.157 314 Y HN 0.220 nan 8.280 nan 0.000 0.495 315 F N 4.498 124.758 119.950 0.516 0.000 2.432 315 F HA 0.591 5.118 4.527 -0.001 0.000 0.329 315 F C -0.242 175.887 175.800 0.547 0.000 1.076 315 F CA -2.167 56.051 58.000 0.365 0.000 1.018 315 F CB 1.243 40.405 39.000 0.269 0.000 1.201 315 F HN 0.360 nan 8.300 nan 0.000 0.489 316 F N 2.388 122.536 119.950 0.329 0.000 2.628 316 F HA 0.697 5.223 4.527 -0.000 0.000 0.309 316 F C -2.011 173.670 175.800 -0.198 0.000 1.108 316 F CA -1.087 57.059 58.000 0.244 0.000 0.971 316 F CB 1.182 40.397 39.000 0.358 0.000 1.279 316 F HN 0.397 nan 8.300 nan 0.000 0.441 317 I N 3.487 123.940 120.570 -0.194 0.000 2.530 317 I HA 0.924 5.094 4.170 -0.001 0.000 0.297 317 I C -1.151 175.121 176.117 0.259 0.000 1.011 317 I CA -0.726 60.352 61.300 -0.370 0.000 1.107 317 I CB 1.714 39.160 38.000 -0.922 0.000 1.285 317 I HN 1.125 nan 8.210 nan 0.000 0.436 318 A N 4.316 127.404 122.820 0.446 0.000 2.593 318 A HA 0.983 5.302 4.320 -0.001 0.000 0.290 318 A C -0.370 177.396 177.584 0.304 0.000 1.126 318 A CA 0.005 52.320 52.037 0.463 0.000 0.695 318 A CB 1.281 20.747 19.000 0.777 0.000 1.290 318 A HN 1.465 nan 8.150 nan 0.000 0.414 319 G N -0.350 108.573 108.800 0.205 0.000 2.331 319 G HA2 0.220 4.180 3.960 -0.001 0.000 0.479 319 G HA3 0.220 4.180 3.960 -0.001 0.000 0.479 319 G C -0.471 174.510 174.900 0.135 0.000 1.262 319 G CA -0.356 44.834 45.100 0.150 0.000 1.029 319 G HN 0.853 nan 8.290 nan 0.000 0.487 320 R N -0.820 119.774 120.500 0.157 0.000 2.679 320 R HA 0.177 4.517 4.340 -0.001 0.000 0.268 320 R C -0.478 175.943 176.300 0.202 0.000 1.044 320 R CA -0.323 55.885 56.100 0.179 0.000 1.105 320 R CB 0.083 30.483 30.300 0.167 0.000 0.989 320 R HN 0.523 nan 8.270 nan 0.000 0.447 321 Y N 3.290 123.633 120.300 0.073 0.000 2.568 321 Y HA 0.097 4.646 4.550 -0.001 0.000 0.338 321 Y C -0.719 175.242 175.900 0.103 0.000 1.245 321 Y CA -0.338 57.815 58.100 0.087 0.000 1.667 321 Y CB -0.044 38.461 38.460 0.074 0.000 1.568 321 Y HN 0.484 nan 8.280 nan 0.000 0.471 322 E N 5.141 125.580 120.200 0.397 0.000 2.376 322 E HA -0.003 4.347 4.350 -0.001 0.000 0.236 322 E C 0.248 177.041 176.600 0.322 0.000 0.962 322 E CA -0.384 56.205 56.400 0.315 0.000 0.768 322 E CB 0.520 30.340 29.700 0.201 0.000 1.236 322 E HN 0.772 nan 8.360 nan 0.000 0.431 323 Y N 3.747 124.233 120.300 0.309 0.000 2.030 323 Y HA -0.426 4.123 4.550 -0.001 0.000 0.272 323 Y C 2.273 178.260 175.900 0.145 0.000 1.185 323 Y CA 2.317 60.550 58.100 0.221 0.000 1.120 323 Y CB 0.187 38.797 38.460 0.248 0.000 0.955 323 Y HN 0.260 nan 8.280 nan 0.000 0.495 324 K N 0.508 120.989 120.400 0.135 0.000 2.001 324 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 324 K C 1.673 178.332 176.600 0.098 0.000 1.048 324 K CA 2.073 58.376 56.287 0.027 0.000 0.932 324 K CB -0.477 32.109 32.500 0.144 0.000 0.715 324 K HN 0.344 nan 8.250 nan 0.000 0.437 325 N N 0.551 119.359 118.700 0.180 0.000 2.188 325 N HA -0.097 4.642 4.740 -0.001 0.000 0.184 325 N C 1.239 176.858 175.510 0.181 0.000 1.018 325 N CA 0.910 54.102 53.050 0.237 0.000 0.858 325 N CB -0.062 38.560 38.487 0.225 0.000 0.989 325 N HN 0.096 nan 8.380 nan 0.000 0.426 326 K N 0.065 120.539 120.400 0.124 0.000 2.432 326 K HA 0.095 4.414 4.320 -0.001 0.000 0.196 326 K C 0.671 177.301 176.600 0.050 0.000 1.038 326 K CA 0.403 56.743 56.287 0.090 0.000 0.986 326 K CB -0.331 32.218 32.500 0.083 0.000 0.782 326 K HN 0.314 nan 8.250 nan 0.000 0.485 327 G N 0.732 109.542 108.800 0.015 0.000 2.212 327 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.255 327 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.255 327 G C 0.953 175.805 174.900 -0.080 0.000 1.062 327 G CA 0.570 45.651 45.100 -0.031 0.000 0.815 327 G HN 0.359 nan 8.290 nan 0.000 0.497 328 A N 0.576 123.293 122.820 -0.172 0.000 1.902 328 A HA 0.052 4.372 4.320 -0.001 0.000 0.217 328 A C 2.305 179.800 177.584 -0.148 0.000 1.181 328 A CA 2.321 54.278 52.037 -0.133 0.000 0.623 328 A CB -0.412 18.507 19.000 -0.136 0.000 0.818 328 A HN 0.931 nan 8.150 nan 0.000 0.443 329 D N 0.118 120.206 120.400 -0.519 0.000 2.103 329 D HA -0.279 4.361 4.640 -0.001 0.000 0.190 329 D C 1.869 178.118 176.300 -0.086 0.000 0.997 329 D CA 1.960 55.764 54.000 -0.327 0.000 0.833 329 D CB -0.885 39.643 40.800 -0.453 0.000 0.961 329 D HN 0.438 nan 8.370 nan 0.000 0.447 330 M N -1.126 118.428 119.600 -0.076 0.000 2.149 330 M HA -0.106 4.373 4.480 -0.001 0.000 0.261 330 M C 2.145 178.467 176.300 0.037 0.000 1.064 330 M CA 1.284 56.576 55.300 -0.013 0.000 1.102 330 M CB -0.303 32.295 32.600 -0.002 0.000 1.369 330 M HN 0.021 nan 8.290 nan 0.000 0.408 331 F N 1.225 121.124 119.950 -0.086 0.000 2.051 331 F HA -0.226 4.301 4.527 -0.001 0.000 0.296 331 F C 1.948 177.726 175.800 -0.037 0.000 1.122 331 F CA 1.743 59.703 58.000 -0.066 0.000 1.201 331 F CB -0.496 38.456 39.000 -0.079 0.000 0.978 331 F HN -0.033 nan 8.300 nan 0.000 0.472 332 I N 0.283 120.846 120.570 -0.013 0.000 2.118 332 I HA -0.327 3.842 4.170 -0.001 0.000 0.241 332 I C 2.441 178.478 176.117 -0.133 0.000 1.070 332 I CA 1.936 63.168 61.300 -0.113 0.000 1.327 332 I CB -0.669 37.336 38.000 0.008 0.000 1.034 332 I HN 0.196 nan 8.210 nan 0.000 0.405 333 E N 1.385 121.544 120.200 -0.067 0.000 2.049 333 E HA -0.268 4.082 4.350 -0.001 0.000 0.198 333 E C 2.124 178.674 176.600 -0.083 0.000 1.007 333 E CA 2.039 58.404 56.400 -0.058 0.000 0.809 333 E CB -0.349 29.334 29.700 -0.030 0.000 0.749 333 E HN 0.429 nan 8.360 nan 0.000 0.450 334 A N -0.217 122.546 122.820 -0.094 0.000 2.024 334 A HA -0.140 4.180 4.320 -0.001 0.000 0.220 334 A C 2.227 179.739 177.584 -0.120 0.000 1.164 334 A CA 1.483 53.467 52.037 -0.088 0.000 0.643 334 A CB -0.623 18.337 19.000 -0.066 0.000 0.806 334 A HN 0.336 nan 8.150 nan 0.000 0.451 335 L N -0.862 120.233 121.223 -0.213 0.000 2.072 335 L HA -0.061 4.279 4.340 -0.001 0.000 0.205 335 L C 3.005 179.801 176.870 -0.124 0.000 1.079 335 L CA 1.335 56.048 54.840 -0.212 0.000 0.752 335 L CB -0.511 41.334 42.059 -0.357 0.000 0.906 335 L HN 0.365 nan 8.230 nan 0.000 0.436 336 A N -0.146 122.608 122.820 -0.109 0.000 1.917 336 A HA -0.274 4.046 4.320 -0.001 0.000 0.219 336 A C 2.417 179.995 177.584 -0.011 0.000 1.182 336 A CA 2.041 54.043 52.037 -0.059 0.000 0.633 336 A CB -0.520 18.446 19.000 -0.056 0.000 0.819 336 A HN 0.337 nan 8.150 nan 0.000 0.448 337 R N -0.962 119.522 120.500 -0.026 0.000 2.115 337 R HA 0.086 4.426 4.340 -0.001 0.000 0.226 337 R C 2.031 178.346 176.300 0.024 0.000 1.100 337 R CA 0.888 56.982 56.100 -0.010 0.000 0.980 337 R CB -0.293 29.977 30.300 -0.051 0.000 0.875 337 R HN 0.485 nan 8.270 nan 0.000 0.445 338 L N 1.208 122.430 121.223 -0.002 0.000 2.376 338 L HA -0.087 4.252 4.340 -0.001 0.000 0.219 338 L C 1.247 178.120 176.870 0.006 0.000 1.133 338 L CA 1.443 56.288 54.840 0.009 0.000 0.816 338 L CB -0.520 41.542 42.059 0.004 0.000 0.933 338 L HN 0.195 nan 8.230 nan 0.000 0.449 339 N N -0.286 118.417 118.700 0.006 0.000 2.083 339 N HA -0.248 4.492 4.740 -0.001 0.000 0.190 339 N C 1.831 177.366 175.510 0.042 0.000 1.047 339 N CA 1.709 54.757 53.050 -0.004 0.000 0.845 339 N CB -0.564 37.916 38.487 -0.013 0.000 1.025 339 N HN 0.316 nan 8.380 nan 0.000 0.428 340 Y N 1.726 122.001 120.300 -0.042 0.000 1.967 340 Y HA -0.353 4.197 4.550 -0.001 0.000 0.260 340 Y C 2.362 178.245 175.900 -0.030 0.000 1.181 340 Y CA 2.457 60.538 58.100 -0.030 0.000 1.097 340 Y CB -0.248 38.196 38.460 -0.026 0.000 0.934 340 Y HN 0.109 nan 8.280 nan 0.000 0.492 341 R N -0.113 120.570 120.500 0.305 0.000 2.185 341 R HA -0.222 4.117 4.340 -0.001 0.000 0.247 341 R C 2.120 178.459 176.300 0.064 0.000 1.159 341 R CA 1.763 57.971 56.100 0.180 0.000 0.988 341 R CB -0.604 29.757 30.300 0.102 0.000 0.871 341 R HN 0.464 nan 8.270 nan 0.000 0.458 342 L N 0.123 121.358 121.223 0.021 0.000 2.446 342 L HA -0.019 4.321 4.340 -0.001 0.000 0.219 342 L C 2.123 178.964 176.870 -0.049 0.000 1.116 342 L CA 0.603 55.429 54.840 -0.023 0.000 0.844 342 L CB 0.005 42.037 42.059 -0.045 0.000 0.970 342 L HN 0.104 nan 8.230 nan 0.000 0.457 343 K N -0.408 119.949 120.400 -0.071 0.000 2.044 343 K HA -0.025 4.295 4.320 -0.001 0.000 0.204 343 K C 2.035 178.570 176.600 -0.108 0.000 1.045 343 K CA 0.750 56.974 56.287 -0.105 0.000 0.951 343 K CB -0.225 32.182 32.500 -0.155 0.000 0.738 343 K HN 0.009 nan 8.250 nan 0.000 0.443 344 V N 2.425 122.258 119.914 -0.135 0.000 2.220 344 V HA -0.285 3.835 4.120 -0.001 0.000 0.250 344 V C 2.385 178.460 176.094 -0.033 0.000 1.056 344 V CA 2.445 64.695 62.300 -0.084 0.000 1.016 344 V CB -0.781 31.028 31.823 -0.024 0.000 0.639 344 V HN 0.495 nan 8.190 nan 0.000 0.446 345 S N 0.790 116.484 115.700 -0.010 0.000 2.626 345 S HA 0.021 4.491 4.470 -0.001 0.000 0.245 345 S C 1.384 175.969 174.600 -0.024 0.000 0.973 345 S CA 0.599 58.794 58.200 -0.009 0.000 0.959 345 S CB -1.278 61.922 63.200 0.000 0.000 0.762 345 S HN 1.461 nan 8.310 nan 0.000 0.539 346 G N 1.116 109.894 108.800 -0.037 0.000 2.357 346 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.282 346 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.282 346 G C -0.073 174.803 174.900 -0.040 0.000 0.910 346 G CA 0.586 45.661 45.100 -0.041 0.000 1.267 346 G HN 0.823 nan 8.290 nan 0.000 0.476 347 S N -0.681 114.992 115.700 -0.045 0.000 2.610 347 S HA 0.508 4.978 4.470 -0.001 0.000 0.273 347 S C 1.681 176.248 174.600 -0.054 0.000 1.274 347 S CA 0.067 58.238 58.200 -0.048 0.000 1.023 347 S CB 0.638 63.806 63.200 -0.052 0.000 0.962 347 S HN 0.623 nan 8.310 nan 0.000 0.523 348 K N 2.188 122.556 120.400 -0.054 0.000 2.418 348 K HA 0.199 4.519 4.320 -0.001 0.000 0.195 348 K C 0.366 176.927 176.600 -0.064 0.000 1.035 348 K CA 0.537 56.793 56.287 -0.053 0.000 1.003 348 K CB 0.042 32.514 32.500 -0.048 0.000 0.793 348 K HN 0.280 nan 8.250 nan 0.000 0.494 349 K N 0.932 121.282 120.400 -0.083 0.000 2.177 349 K HA 0.313 4.632 4.320 -0.001 0.000 0.238 349 K C -0.661 175.847 176.600 -0.153 0.000 1.015 349 K CA -0.621 55.599 56.287 -0.110 0.000 0.922 349 K CB 1.643 34.072 32.500 -0.120 0.000 1.127 349 K HN -0.143 nan 8.250 nan 0.000 0.469 350 T N 0.364 114.793 114.554 -0.209 0.000 2.921 350 T HA 0.288 4.638 4.350 -0.001 0.000 0.297 350 T C -1.101 173.384 174.700 -0.358 0.000 1.013 350 T CA -0.725 61.178 62.100 -0.329 0.000 0.990 350 T CB 1.565 70.118 68.868 -0.525 0.000 1.023 350 T HN 0.135 nan 8.240 nan 0.000 0.447 351 V N 3.594 123.283 119.914 -0.376 0.000 2.357 351 V HA 0.421 4.541 4.120 -0.001 0.000 0.284 351 V C -0.220 175.693 176.094 -0.301 0.000 1.018 351 V CA -0.648 61.400 62.300 -0.420 0.000 0.841 351 V CB 1.548 32.994 31.823 -0.628 0.000 0.991 351 V HN 0.772 nan 8.190 nan 0.000 0.437 352 V N 4.696 124.528 119.914 -0.137 0.000 2.370 352 V HA 0.758 4.877 4.120 -0.001 0.000 0.279 352 V C 0.417 176.554 176.094 0.072 0.000 1.029 352 V CA -0.417 61.880 62.300 -0.005 0.000 0.870 352 V CB 1.461 33.399 31.823 0.192 0.000 0.984 352 V HN 0.922 nan 8.190 nan 0.000 0.451 353 A N 5.496 128.305 122.820 -0.017 0.000 2.319 353 A HA 0.848 5.167 4.320 -0.001 0.000 0.310 353 A C -0.922 176.757 177.584 0.158 0.000 1.152 353 A CA -0.394 51.772 52.037 0.214 0.000 0.783 353 A CB 0.455 19.604 19.000 0.248 0.000 1.184 353 A HN 0.612 nan 8.150 nan 0.000 0.474 354 F N 1.873 122.133 119.950 0.516 0.000 2.394 354 F HA 0.501 5.028 4.527 -0.000 0.000 0.340 354 F C 0.425 176.477 175.800 0.420 0.000 1.105 354 F CA -0.316 57.952 58.000 0.447 0.000 1.124 354 F CB 1.478 40.759 39.000 0.467 0.000 1.145 354 F HN 0.348 nan 8.300 nan 0.000 0.505 355 I N 4.265 125.152 120.570 0.529 0.000 2.388 355 I HA 0.211 4.381 4.170 -0.001 0.000 0.281 355 I C -0.883 175.498 176.117 0.440 0.000 1.046 355 I CA -0.573 60.961 61.300 0.391 0.000 1.187 355 I CB 1.077 39.214 38.000 0.228 0.000 1.351 355 I HN 0.234 nan 8.210 nan 0.000 0.472 356 V N 7.708 127.820 119.914 0.330 0.000 2.258 356 V HA 0.361 4.480 4.120 -0.001 0.000 0.258 356 V C 0.220 176.391 176.094 0.128 0.000 1.121 356 V CA 0.169 62.599 62.300 0.215 0.000 0.942 356 V CB 0.085 31.995 31.823 0.145 0.000 1.170 356 V HN 0.663 nan 8.190 nan 0.000 0.487 357 M N 6.551 126.201 119.600 0.084 0.000 2.224 357 M HA 0.409 4.889 4.480 -0.001 0.000 0.281 357 M C -2.948 173.288 176.300 -0.107 0.000 1.025 357 M CA -1.592 53.684 55.300 -0.038 0.000 0.954 357 M CB 3.595 36.138 32.600 -0.094 0.000 1.639 357 M HN 0.204 nan 8.290 nan 0.000 0.461 358 P HA 0.367 nan 4.420 nan 0.000 0.276 358 P C -1.276 176.020 177.300 -0.008 0.000 1.243 358 P CA -0.107 62.766 63.100 -0.379 0.000 0.768 358 P CB 0.794 32.099 31.700 -0.659 0.000 0.856 359 A N 3.107 125.895 122.820 -0.053 0.000 2.527 359 A HA 0.561 4.881 4.320 -0.001 0.000 0.293 359 A C -0.563 176.981 177.584 -0.066 0.000 1.117 359 A CA -0.839 51.247 52.037 0.081 0.000 0.723 359 A CB 1.130 20.293 19.000 0.271 0.000 1.313 359 A HN 0.258 nan 8.150 nan 0.000 0.411 360 K N 1.606 121.983 120.400 -0.038 0.000 2.419 360 K HA 0.106 4.426 4.320 -0.001 0.000 0.282 360 K C -0.382 176.169 176.600 -0.082 0.000 1.056 360 K CA 0.523 56.774 56.287 -0.060 0.000 1.035 360 K CB -0.317 32.160 32.500 -0.038 0.000 0.921 360 K HN 0.857 nan 8.250 nan 0.000 0.472 361 N N 0.596 119.223 118.700 -0.122 0.000 2.647 361 N HA 0.255 4.995 4.740 -0.001 0.000 0.266 361 N C -0.774 174.680 175.510 -0.094 0.000 1.373 361 N CA -0.912 52.060 53.050 -0.129 0.000 0.807 361 N CB 0.939 39.269 38.487 -0.262 0.000 1.513 361 N HN 0.067 nan 8.380 nan 0.000 0.505 362 N N 0.824 119.490 118.700 -0.057 0.000 2.908 362 N HA 0.195 4.935 4.740 -0.001 0.000 0.316 362 N C -0.706 174.777 175.510 -0.046 0.000 1.619 362 N CA 0.139 53.164 53.050 -0.042 0.000 1.045 362 N CB 0.078 38.555 38.487 -0.016 0.000 1.357 362 N HN 0.693 nan 8.380 nan 0.000 0.501 363 S N -0.122 115.525 115.700 -0.088 0.000 3.109 363 S HA -0.271 4.198 4.470 -0.001 0.000 0.632 363 S C -0.117 174.349 174.600 -0.223 0.000 2.927 363 S CA 0.392 58.473 58.200 -0.199 0.000 3.233 363 S CB -0.707 62.399 63.200 -0.157 0.000 0.325 363 S HN 0.307 nan 8.310 nan 0.000 1.720 364 F N 1.904 121.809 119.950 -0.075 0.000 2.410 364 F HA 0.399 4.926 4.527 -0.001 0.000 0.334 364 F C 1.362 177.103 175.800 -0.097 0.000 1.134 364 F CA 0.320 58.179 58.000 -0.236 0.000 1.227 364 F CB 0.359 39.239 39.000 -0.199 0.000 1.194 364 F HN 0.583 nan 8.300 nan 0.000 0.571 365 T N -0.829 113.795 114.554 0.117 0.000 2.884 365 T HA 0.179 4.528 4.350 -0.001 0.000 0.298 365 T C 1.093 175.847 174.700 0.090 0.000 0.998 365 T CA -0.810 61.344 62.100 0.090 0.000 1.124 365 T CB 1.162 70.082 68.868 0.087 0.000 0.931 365 T HN 0.432 nan 8.240 nan 0.000 0.531 366 V N 2.502 122.455 119.914 0.066 0.000 2.278 366 V HA -0.237 3.883 4.120 -0.001 0.000 0.251 366 V C 2.775 178.895 176.094 0.043 0.000 1.062 366 V CA 2.645 64.974 62.300 0.049 0.000 1.038 366 V CB -0.840 31.004 31.823 0.035 0.000 0.646 366 V HN 1.130 nan 8.190 nan 0.000 0.447 367 E N -0.345 119.884 120.200 0.048 0.000 2.033 367 E HA -0.277 4.073 4.350 -0.001 0.000 0.199 367 E C 2.189 178.825 176.600 0.061 0.000 1.011 367 E CA 1.722 58.150 56.400 0.047 0.000 0.815 367 E CB -0.361 29.359 29.700 0.033 0.000 0.755 367 E HN 0.604 nan 8.360 nan 0.000 0.451 368 A N 0.437 123.309 122.820 0.086 0.000 2.019 368 A HA -0.133 4.187 4.320 -0.001 0.000 0.219 368 A C 2.154 179.783 177.584 0.075 0.000 1.164 368 A CA 1.097 53.215 52.037 0.136 0.000 0.644 368 A CB -0.448 18.679 19.000 0.212 0.000 0.805 368 A HN 0.326 nan 8.150 nan 0.000 0.449 369 L N -1.123 120.115 121.223 0.025 0.000 2.162 369 L HA -0.077 4.263 4.340 -0.001 0.000 0.205 369 L C 2.538 179.387 176.870 -0.035 0.000 1.086 369 L CA 1.420 56.241 54.840 -0.032 0.000 0.778 369 L CB -0.323 41.723 42.059 -0.022 0.000 0.928 369 L HN 0.436 nan 8.230 nan 0.000 0.446 370 K N 0.492 120.876 120.400 -0.027 0.000 2.009 370 K HA -0.183 4.137 4.320 -0.001 0.000 0.210 370 K C 2.009 178.527 176.600 -0.136 0.000 1.049 370 K CA 1.608 57.854 56.287 -0.069 0.000 0.929 370 K CB -0.473 31.993 32.500 -0.055 0.000 0.714 370 K HN 0.294 nan 8.250 nan 0.000 0.440 371 G N 1.277 110.016 108.800 -0.103 0.000 2.719 371 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.219 371 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.219 371 G C 1.392 176.227 174.900 -0.109 0.000 1.234 371 G CA 1.228 46.257 45.100 -0.118 0.000 0.788 371 G HN 0.405 nan 8.290 nan 0.000 0.619 372 Q N 0.478 120.258 119.800 -0.034 0.000 2.124 372 Q HA -0.018 4.321 4.340 -0.001 0.000 0.202 372 Q C 2.971 178.936 176.000 -0.058 0.000 0.977 372 Q CA 1.463 57.249 55.803 -0.028 0.000 0.850 372 Q CB -0.860 27.876 28.738 -0.004 0.000 0.901 372 Q HN 0.502 nan 8.270 nan 0.000 0.429 373 A N 1.831 124.608 122.820 -0.072 0.000 1.865 373 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 373 A C 2.060 179.597 177.584 -0.078 0.000 1.191 373 A CA 1.496 53.492 52.037 -0.068 0.000 0.623 373 A CB -0.311 18.651 19.000 -0.064 0.000 0.826 373 A HN 0.252 nan 8.150 nan 0.000 0.444 374 E N -0.254 119.875 120.200 -0.120 0.000 2.072 374 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 374 E C 2.114 178.656 176.600 -0.096 0.000 0.985 374 E CA 1.218 57.544 56.400 -0.123 0.000 0.801 374 E CB -0.591 28.991 29.700 -0.197 0.000 0.750 374 E HN 0.374 nan 8.360 nan 0.000 0.452 375 V N 1.170 121.023 119.914 -0.103 0.000 2.759 375 V HA -0.206 3.914 4.120 -0.001 0.000 0.256 375 V C 2.389 178.460 176.094 -0.037 0.000 1.080 375 V CA 1.457 63.721 62.300 -0.060 0.000 1.101 375 V CB -0.406 31.384 31.823 -0.055 0.000 0.698 375 V HN 0.066 nan 8.190 nan 0.000 0.477 376 R N 0.106 120.582 120.500 -0.040 0.000 2.093 376 R HA 0.091 4.431 4.340 -0.001 0.000 0.224 376 R C 2.274 178.560 176.300 -0.023 0.000 1.101 376 R CA 1.305 57.388 56.100 -0.028 0.000 0.979 376 R CB -0.596 29.686 30.300 -0.031 0.000 0.877 376 R HN 0.461 nan 8.270 nan 0.000 0.441 377 A N 0.625 123.428 122.820 -0.028 0.000 1.972 377 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 377 A C 2.061 179.640 177.584 -0.008 0.000 1.169 377 A CA 1.013 53.038 52.037 -0.019 0.000 0.635 377 A CB -0.607 18.378 19.000 -0.026 0.000 0.810 377 A HN 0.360 nan 8.150 nan 0.000 0.446 378 L N -0.512 120.704 121.223 -0.012 0.000 1.994 378 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 378 L C 2.579 179.459 176.870 0.016 0.000 1.071 378 L CA 2.201 57.042 54.840 0.002 0.000 0.745 378 L CB -0.529 41.530 42.059 -0.001 0.000 0.892 378 L HN 0.522 nan 8.230 nan 0.000 0.431 379 E N -0.209 119.998 120.200 0.012 0.000 2.065 379 E HA -0.271 4.078 4.350 -0.001 0.000 0.201 379 E C 1.842 178.468 176.600 0.044 0.000 1.016 379 E CA 1.739 58.153 56.400 0.024 0.000 0.818 379 E CB -0.099 29.603 29.700 0.005 0.000 0.749 379 E HN 0.539 nan 8.360 nan 0.000 0.453 380 N N 0.132 118.847 118.700 0.026 0.000 2.013 380 N HA -0.147 4.593 4.740 -0.001 0.000 0.195 380 N C 1.961 177.522 175.510 0.085 0.000 1.051 380 N CA 1.754 54.834 53.050 0.049 0.000 0.851 380 N CB -1.052 37.448 38.487 0.021 0.000 1.044 380 N HN 0.078 nan 8.380 nan 0.000 0.422 381 T N 1.563 116.146 114.554 0.049 0.000 2.653 381 T HA -0.118 4.232 4.350 -0.001 0.000 0.268 381 T C 2.136 176.864 174.700 0.047 0.000 1.035 381 T CA 1.273 63.398 62.100 0.040 0.000 1.154 381 T CB -0.534 68.346 68.868 0.021 0.000 0.862 381 T HN -0.023 nan 8.240 nan 0.000 0.441 382 V N 0.779 120.724 119.914 0.052 0.000 2.252 382 V HA -0.270 3.850 4.120 -0.001 0.000 0.249 382 V C 2.208 178.338 176.094 0.060 0.000 1.056 382 V CA 2.498 64.827 62.300 0.048 0.000 1.022 382 V CB -0.696 31.158 31.823 0.051 0.000 0.641 382 V HN 0.627 nan 8.190 nan 0.000 0.445 383 H N 0.356 119.428 119.070 0.002 0.000 2.267 383 H HA -0.210 4.345 4.556 -0.001 0.000 0.297 383 H C 2.286 177.614 175.328 -0.000 0.000 1.080 383 H CA 2.478 58.526 56.048 0.001 0.000 1.278 383 H CB -0.164 29.598 29.762 -0.000 0.000 1.365 383 H HN 0.536 nan 8.280 nan 0.000 0.489 384 E N -0.456 119.758 120.200 0.023 0.000 2.086 384 E HA -0.202 4.148 4.350 -0.001 0.000 0.200 384 E C 2.448 179.001 176.600 -0.079 0.000 1.012 384 E CA 1.621 58.001 56.400 -0.034 0.000 0.812 384 E CB -0.140 29.579 29.700 0.032 0.000 0.743 384 E HN 0.305 nan 8.360 nan 0.000 0.453 385 V N 1.295 121.184 119.914 -0.043 0.000 2.261 385 V HA -0.291 3.829 4.120 -0.001 0.000 0.246 385 V C 2.738 178.795 176.094 -0.061 0.000 1.047 385 V CA 2.279 64.556 62.300 -0.037 0.000 1.015 385 V CB -1.022 30.793 31.823 -0.014 0.000 0.642 385 V HN 0.550 nan 8.190 nan 0.000 0.446 386 T N -1.239 113.267 114.554 -0.080 0.000 2.746 386 T HA -0.238 4.112 4.350 -0.001 0.000 0.267 386 T C 1.883 176.512 174.700 -0.117 0.000 1.039 386 T CA 2.122 64.172 62.100 -0.083 0.000 1.142 386 T CB -0.968 67.858 68.868 -0.069 0.000 0.866 386 T HN 0.633 nan 8.240 nan 0.000 0.444 387 T N -0.611 113.816 114.554 -0.213 0.000 2.995 387 T HA 0.028 4.378 4.350 -0.001 0.000 0.269 387 T C 2.255 176.892 174.700 -0.105 0.000 1.091 387 T CA 1.204 63.187 62.100 -0.195 0.000 1.128 387 T CB -0.750 67.936 68.868 -0.303 0.000 0.891 387 T HN 0.336 nan 8.240 nan 0.000 0.492 388 S N 1.148 116.798 115.700 -0.083 0.000 2.355 388 S HA 0.100 4.570 4.470 -0.001 0.000 0.222 388 S C 1.901 176.489 174.600 -0.020 0.000 1.031 388 S CA 1.123 59.298 58.200 -0.041 0.000 0.993 388 S CB -0.471 62.710 63.200 -0.031 0.000 0.859 388 S HN 0.539 nan 8.310 nan 0.000 0.453 389 I N 1.355 121.912 120.570 -0.023 0.000 2.151 389 I HA -0.224 3.946 4.170 -0.001 0.000 0.243 389 I C 2.643 178.768 176.117 0.013 0.000 1.080 389 I CA 1.233 62.530 61.300 -0.005 0.000 1.339 389 I CB -1.105 36.889 38.000 -0.010 0.000 1.039 389 I HN 0.380 nan 8.210 nan 0.000 0.409 390 G N 1.049 109.847 108.800 -0.003 0.000 2.586 390 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.218 390 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.218 390 G C 1.697 176.631 174.900 0.056 0.000 1.216 390 G CA 0.980 46.090 45.100 0.016 0.000 0.786 390 G HN 0.309 nan 8.290 nan 0.000 0.583 391 K N -0.010 120.403 120.400 0.021 0.000 2.074 391 K HA -0.099 4.221 4.320 -0.001 0.000 0.209 391 K C 2.780 179.455 176.600 0.126 0.000 1.048 391 K CA 1.182 57.501 56.287 0.052 0.000 0.926 391 K CB -0.211 32.296 32.500 0.011 0.000 0.713 391 K HN 0.217 nan 8.250 nan 0.000 0.444 392 R N 0.541 121.092 120.500 0.085 0.000 2.073 392 R HA -0.056 4.283 4.340 -0.001 0.000 0.234 392 R C 2.428 178.802 176.300 0.124 0.000 1.134 392 R CA 1.190 57.343 56.100 0.089 0.000 0.952 392 R CB -0.342 29.983 30.300 0.042 0.000 0.850 392 R HN 0.204 nan 8.270 nan 0.000 0.433 393 I N 0.012 120.652 120.570 0.117 0.000 2.179 393 I HA -0.315 3.854 4.170 -0.001 0.000 0.242 393 I C 2.270 178.505 176.117 0.196 0.000 1.088 393 I CA 1.419 62.799 61.300 0.133 0.000 1.357 393 I CB -0.306 37.755 38.000 0.102 0.000 1.051 393 I HN 0.105 nan 8.210 nan 0.000 0.409 394 F N 1.731 121.714 119.950 0.056 0.000 2.075 394 F HA -0.302 4.225 4.527 -0.000 0.000 0.297 394 F C 2.377 178.211 175.800 0.057 0.000 1.113 394 F CA 1.982 60.008 58.000 0.045 0.000 1.218 394 F CB -0.366 38.649 39.000 0.024 0.000 0.984 394 F HN 0.091 nan 8.300 nan 0.000 0.472 395 D N -0.764 119.835 120.400 0.332 0.000 2.221 395 D HA -0.273 4.367 4.640 -0.001 0.000 0.204 395 D C 2.151 178.501 176.300 0.084 0.000 0.982 395 D CA 1.339 55.459 54.000 0.201 0.000 0.857 395 D CB -0.487 40.442 40.800 0.214 0.000 0.934 395 D HN 0.578 nan 8.370 nan 0.000 0.475 396 H N 0.222 119.301 119.070 0.016 0.000 2.299 396 H HA -0.059 4.496 4.556 -0.001 0.000 0.302 396 H C 1.880 177.205 175.328 -0.005 0.000 1.078 396 H CA 1.663 57.722 56.048 0.018 0.000 1.323 396 H CB 0.116 29.898 29.762 0.034 0.000 1.381 396 H HN 0.127 nan 8.280 nan 0.000 0.498 397 A N 1.236 123.937 122.820 -0.199 0.000 1.908 397 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 397 A C 2.420 179.823 177.584 -0.302 0.000 1.181 397 A CA 1.553 53.404 52.037 -0.309 0.000 0.627 397 A CB -0.792 18.053 19.000 -0.258 0.000 0.818 397 A HN 0.455 nan 8.150 nan 0.000 0.445 398 I N -1.111 119.209 120.570 -0.416 0.000 2.614 398 I HA -0.083 4.087 4.170 -0.001 0.000 0.258 398 I C 2.121 178.141 176.117 -0.162 0.000 1.189 398 I CA 1.204 62.283 61.300 -0.368 0.000 1.462 398 I CB -0.246 37.445 38.000 -0.515 0.000 1.092 398 I HN 0.184 nan 8.210 nan 0.000 0.442 399 R N -1.353 119.072 120.500 -0.125 0.000 2.254 399 R HA 0.038 4.378 4.340 -0.001 0.000 0.195 399 R C 0.117 176.377 176.300 -0.066 0.000 0.957 399 R CA -0.081 55.977 56.100 -0.070 0.000 1.024 399 R CB -0.276 29.997 30.300 -0.044 0.000 0.952 399 R HN 0.256 nan 8.270 nan 0.000 0.484 400 Y N 2.098 122.262 120.300 -0.227 0.000 2.802 400 Y HA 0.012 4.562 4.550 -0.001 0.000 0.333 400 Y C -1.579 174.244 175.900 -0.127 0.000 1.244 400 Y CA -1.869 56.105 58.100 -0.209 0.000 1.558 400 Y CB 0.172 38.478 38.460 -0.256 0.000 1.233 400 Y HN 0.131 nan 8.280 nan 0.000 0.547 416 L N 3.983 125.195 121.223 -0.019 0.000 2.554 416 L HA 0.332 4.671 4.340 -0.001 0.000 0.225 416 L C 0.347 177.209 176.870 -0.013 0.000 1.104 416 L CA 0.218 55.046 54.840 -0.020 0.000 0.866 416 L CB 0.422 42.470 42.059 -0.019 0.000 1.047 416 L HN 0.506 nan 8.230 nan 0.000 0.468 417 L N 2.242 123.459 121.223 -0.011 0.000 2.268 417 L HA 0.160 4.499 4.340 -0.001 0.000 0.289 417 L C 0.358 177.224 176.870 -0.007 0.000 1.064 417 L CA -0.244 54.592 54.840 -0.008 0.000 0.824 417 L CB 0.696 42.751 42.059 -0.006 0.000 1.202 417 L HN 0.162 nan 8.230 nan 0.000 0.433 418 K N 1.105 121.501 120.400 -0.006 0.000 2.187 418 K HA 0.159 4.479 4.320 -0.001 0.000 0.247 418 K C 1.152 177.750 176.600 -0.003 0.000 1.019 418 K CA -0.151 56.133 56.287 -0.005 0.000 0.893 418 K CB 0.402 32.900 32.500 -0.003 0.000 1.025 418 K HN 0.519 nan 8.250 nan 0.000 0.500 419 S N 0.350 116.049 115.700 -0.003 0.000 2.365 419 S HA -0.293 4.177 4.470 -0.001 0.000 0.225 419 S C 2.230 176.829 174.600 -0.001 0.000 1.039 419 S CA 1.608 59.807 58.200 -0.002 0.000 1.033 419 S CB -0.807 62.392 63.200 -0.001 0.000 0.887 419 S HN 0.774 nan 8.310 nan 0.000 0.447 420 S N 2.320 118.020 115.700 -0.001 0.000 2.393 420 S HA -0.293 4.177 4.470 -0.001 0.000 0.234 420 S C 1.607 176.207 174.600 -0.001 0.000 1.064 420 S CA 2.043 60.243 58.200 -0.000 0.000 1.088 420 S CB -0.942 62.258 63.200 -0.000 0.000 0.939 420 S HN 0.589 nan 8.310 nan 0.000 0.448 421 D N 0.504 120.904 120.400 -0.001 0.000 2.137 421 D HA 0.008 4.647 4.640 -0.001 0.000 0.202 421 D C 2.137 178.437 176.300 -0.000 0.000 0.970 421 D CA 0.842 54.841 54.000 -0.002 0.000 0.837 421 D CB -0.322 40.476 40.800 -0.004 0.000 0.981 421 D HN 0.501 nan 8.370 nan 0.000 0.475 422 K N 0.665 121.065 120.400 -0.001 0.000 2.074 422 K HA -0.118 4.202 4.320 -0.001 0.000 0.209 422 K C 2.183 178.783 176.600 0.001 0.000 1.048 422 K CA 0.680 56.967 56.287 0.000 0.000 0.926 422 K CB -0.142 32.357 32.500 -0.001 0.000 0.713 422 K HN -0.032 nan 8.250 nan 0.000 0.444 423 V N 2.307 122.221 119.914 0.001 0.000 2.237 423 V HA -0.307 3.813 4.120 -0.001 0.000 0.245 423 V C 2.342 178.437 176.094 0.001 0.000 1.046 423 V CA 2.273 64.573 62.300 0.001 0.000 1.007 423 V CB -0.457 31.366 31.823 0.000 0.000 0.638 423 V HN 0.472 nan 8.190 nan 0.000 0.445 424 M N -1.446 118.154 119.600 0.001 0.000 2.374 424 M HA -0.081 4.399 4.480 -0.001 0.000 0.264 424 M C 2.058 178.360 176.300 0.003 0.000 1.067 424 M CA 1.867 57.169 55.300 0.002 0.000 1.103 424 M CB -0.595 32.007 32.600 0.003 0.000 1.402 424 M HN 0.188 nan 8.290 nan 0.000 0.444 425 L N 0.574 121.799 121.223 0.004 0.000 2.072 425 L HA -0.086 4.254 4.340 -0.001 0.000 0.205 425 L C 2.762 179.635 176.870 0.005 0.000 1.079 425 L CA 1.387 56.230 54.840 0.005 0.000 0.752 425 L CB -0.348 41.715 42.059 0.005 0.000 0.906 425 L HN 0.394 nan 8.230 nan 0.000 0.436 426 K N -0.156 120.247 120.400 0.004 0.000 2.155 426 K HA -0.207 4.113 4.320 -0.001 0.000 0.203 426 K C 2.237 178.839 176.600 0.003 0.000 1.052 426 K CA 0.994 57.283 56.287 0.004 0.000 0.948 426 K CB 0.086 32.588 32.500 0.003 0.000 0.728 426 K HN 0.112 nan 8.250 nan 0.000 0.448 427 R N 0.351 120.852 120.500 0.001 0.000 2.090 427 R HA -0.024 4.316 4.340 -0.001 0.000 0.228 427 R C 1.896 178.193 176.300 -0.004 0.000 1.110 427 R CA 0.964 57.063 56.100 -0.001 0.000 0.973 427 R CB 0.137 30.435 30.300 -0.002 0.000 0.869 427 R HN 0.015 nan 8.270 nan 0.000 0.440 428 R N 0.282 120.780 120.500 -0.003 0.000 2.153 428 R HA 0.018 4.358 4.340 -0.001 0.000 0.218 428 R C 2.095 178.392 176.300 -0.005 0.000 1.072 428 R CA 0.847 56.943 56.100 -0.007 0.000 0.990 428 R CB -0.115 30.183 30.300 -0.003 0.000 0.889 428 R HN 0.380 nan 8.270 nan 0.000 0.452 429 I N 0.512 121.085 120.570 0.004 0.000 2.500 429 I HA -0.165 4.005 4.170 -0.001 0.000 0.252 429 I C 2.125 178.250 176.117 0.013 0.000 1.142 429 I CA 0.809 62.116 61.300 0.012 0.000 1.451 429 I CB -0.130 37.878 38.000 0.015 0.000 1.093 429 I HN 0.045 nan 8.210 nan 0.000 0.430 430 L N 0.681 121.909 121.223 0.008 0.000 2.291 430 L HA -0.059 4.281 4.340 -0.001 0.000 0.214 430 L C 2.611 179.485 176.870 0.006 0.000 1.120 430 L CA 0.686 55.531 54.840 0.009 0.000 0.799 430 L CB -0.399 41.663 42.059 0.005 0.000 0.925 430 L HN 0.200 nan 8.230 nan 0.000 0.446 431 A N -0.419 122.396 122.820 -0.008 0.000 2.209 431 A HA -0.004 4.316 4.320 -0.001 0.000 0.212 431 A C 2.070 179.632 177.584 -0.037 0.000 1.158 431 A CA 0.690 52.712 52.037 -0.026 0.000 0.742 431 A CB -0.314 18.661 19.000 -0.043 0.000 0.790 431 A HN 0.392 nan 8.150 nan 0.000 0.472 432 L N -1.087 120.136 121.223 -0.000 0.000 2.375 432 L HA 0.079 4.418 4.340 -0.001 0.000 0.215 432 L C 1.457 178.426 176.870 0.164 0.000 1.108 432 L CA -0.121 54.754 54.840 0.058 0.000 0.830 432 L CB -0.283 41.824 42.059 0.079 0.000 0.959 432 L HN 0.360 nan 8.230 nan 0.000 0.457 433 R N 2.509 123.062 120.500 0.088 0.000 2.523 433 R HA -0.037 4.302 4.340 -0.001 0.000 0.281 433 R C -0.052 176.306 176.300 0.097 0.000 0.969 433 R CA 0.214 56.360 56.100 0.077 0.000 1.093 433 R CB 0.370 30.695 30.300 0.042 0.000 0.917 433 R HN 0.254 nan 8.270 nan 0.000 0.408 434 R N 4.617 125.160 120.500 0.072 0.000 2.562 434 R HA 0.453 4.792 4.340 -0.001 0.000 0.298 434 R C -2.551 173.758 176.300 0.014 0.000 0.961 434 R CA -2.204 53.926 56.100 0.050 0.000 0.881 434 R CB 0.976 31.266 30.300 -0.017 0.000 1.159 434 R HN 0.390 nan 8.270 nan 0.000 0.450 435 P HA -0.175 nan 4.420 nan 0.000 0.257 435 P C -0.591 176.706 177.300 -0.006 0.000 1.144 435 P CA 0.653 63.755 63.100 0.003 0.000 0.761 435 P CB 0.307 32.007 31.700 -0.000 0.000 0.734 436 E N 1.992 122.190 120.200 -0.003 0.000 2.708 436 E HA 0.059 4.409 4.350 -0.001 0.000 0.260 436 E C 1.500 178.093 176.600 -0.012 0.000 0.937 436 E CA 1.386 57.783 56.400 -0.005 0.000 0.953 436 E CB -0.243 29.456 29.700 -0.003 0.000 0.915 436 E HN 0.761 nan 8.360 nan 0.000 0.487 437 G N 3.071 111.864 108.800 -0.013 0.000 2.189 437 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.267 437 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.267 437 G C 0.230 175.112 174.900 -0.030 0.000 0.975 437 G CA 0.728 45.817 45.100 -0.018 0.000 0.644 437 G HN 0.609 nan 8.290 nan 0.000 0.537 438 Q N 0.481 120.260 119.800 -0.034 0.000 2.295 438 Q HA 0.599 4.939 4.340 -0.001 0.000 0.259 438 Q C 0.337 176.299 176.000 -0.062 0.000 0.976 438 Q CA -0.558 55.216 55.803 -0.049 0.000 0.923 438 Q CB 0.353 29.062 28.738 -0.047 0.000 1.185 438 Q HN 0.475 nan 8.270 nan 0.000 0.410 439 L N 5.306 126.492 121.223 -0.062 0.000 2.416 439 L HA 0.519 4.859 4.340 -0.001 0.000 0.262 439 L C -2.010 174.780 176.870 -0.133 0.000 1.093 439 L CA -2.645 52.159 54.840 -0.059 0.000 0.801 439 L CB 0.936 42.995 42.059 -0.000 0.000 1.191 439 L HN 0.639 nan 8.230 nan 0.000 0.459 440 P HA 0.081 nan 4.420 nan 0.000 0.264 440 P C -2.448 174.715 177.300 -0.228 0.000 1.193 440 P CA -0.649 62.187 63.100 -0.440 0.000 0.763 440 P CB -0.085 31.159 31.700 -0.761 0.000 0.810 441 P HA 0.035 nan 4.420 nan 0.000 0.269 441 P C 0.815 178.235 177.300 0.199 0.000 1.217 441 P CA 0.179 63.309 63.100 0.051 0.000 0.783 441 P CB 0.233 31.989 31.700 0.094 0.000 0.898 442 I N -1.170 119.535 120.570 0.225 0.000 3.883 442 I HA 0.268 4.438 4.170 -0.001 0.000 0.326 442 I C 0.222 176.517 176.117 0.298 0.000 1.283 442 I CA 0.242 61.693 61.300 0.252 0.000 1.161 442 I CB 0.277 38.420 38.000 0.238 0.000 1.012 442 I HN -0.031 nan 8.210 nan 0.000 0.421 443 V N 1.301 121.381 119.914 0.277 0.000 2.841 443 V HA 0.296 4.416 4.120 -0.001 0.000 0.310 443 V C 1.092 177.321 176.094 0.224 0.000 1.090 443 V CA 0.121 62.569 62.300 0.246 0.000 0.930 443 V CB 2.369 34.325 31.823 0.221 0.000 1.014 443 V HN 0.395 nan 8.190 nan 0.000 0.425 444 T N 1.249 115.921 114.554 0.198 0.000 3.081 444 T HA 0.300 4.649 4.350 -0.001 0.000 0.250 444 T C 0.441 175.144 174.700 0.004 0.000 1.100 444 T CA 0.606 62.826 62.100 0.200 0.000 1.038 444 T CB -0.257 68.786 68.868 0.292 0.000 0.962 444 T HN 0.710 nan 8.240 nan 0.000 0.516 445 H N 0.462 119.529 119.070 -0.006 0.000 2.797 445 H HA 0.550 5.105 4.556 -0.001 0.000 0.362 445 H C -0.481 174.817 175.328 -0.049 0.000 1.183 445 H CA -1.076 54.922 56.048 -0.083 0.000 1.197 445 H CB 0.856 30.451 29.762 -0.278 0.000 1.835 445 H HN -0.033 nan 8.280 nan 0.000 0.567 446 N N 1.927 120.675 118.700 0.081 0.000 2.415 446 N HA 0.064 4.803 4.740 -0.001 0.000 0.250 446 N C -0.654 174.871 175.510 0.026 0.000 1.127 446 N CA -0.141 52.937 53.050 0.045 0.000 0.945 446 N CB 0.381 38.884 38.487 0.027 0.000 1.196 446 N HN 0.343 nan 8.380 nan 0.000 0.499 447 M N 1.787 121.409 119.600 0.036 0.000 2.188 447 M HA 0.104 4.583 4.480 -0.001 0.000 0.354 447 M C 0.365 176.681 176.300 0.026 0.000 1.342 447 M CA -0.413 54.906 55.300 0.031 0.000 1.117 447 M CB 0.614 33.260 32.600 0.076 0.000 1.670 447 M HN 0.060 nan 8.290 nan 0.000 0.466 448 V N 3.695 123.615 119.914 0.010 0.000 2.443 448 V HA 0.146 4.266 4.120 -0.001 0.000 0.326 448 V C 0.099 176.202 176.094 0.015 0.000 1.580 448 V CA 0.254 62.558 62.300 0.007 0.000 1.629 448 V CB -1.286 30.532 31.823 -0.009 0.000 1.471 448 V HN 0.962 nan 8.190 nan 0.000 0.532 449 D N 0.306 120.723 120.400 0.028 0.000 4.346 449 D HA -0.116 4.524 4.640 -0.001 0.000 0.101 449 D C 0.841 177.171 176.300 0.050 0.000 0.504 449 D CA -0.005 54.014 54.000 0.030 0.000 0.899 449 D CB -0.902 39.910 40.800 0.020 0.000 1.532 449 D HN 0.324 nan 8.370 nan 0.000 0.355 450 D N -0.142 120.292 120.400 0.057 0.000 2.265 450 D HA -0.128 4.512 4.640 -0.001 0.000 0.208 450 D C 1.578 177.922 176.300 0.073 0.000 0.977 450 D CA 1.295 55.341 54.000 0.077 0.000 0.871 450 D CB 0.404 41.247 40.800 0.072 0.000 0.925 450 D HN 0.464 nan 8.370 nan 0.000 0.485 451 A N 0.043 122.894 122.820 0.052 0.000 2.044 451 A HA 0.005 4.324 4.320 -0.001 0.000 0.213 451 A C 1.755 179.358 177.584 0.033 0.000 1.169 451 A CA 0.370 52.433 52.037 0.044 0.000 0.724 451 A CB 0.216 19.236 19.000 0.033 0.000 0.840 451 A HN 0.077 nan 8.150 nan 0.000 0.463 452 N N 0.070 118.785 118.700 0.026 0.000 2.250 452 N HA 0.070 4.810 4.740 -0.001 0.000 0.190 452 N C -0.308 175.200 175.510 -0.003 0.000 1.116 452 N CA 0.037 53.090 53.050 0.006 0.000 0.881 452 N CB -0.057 38.429 38.487 -0.002 0.000 1.006 452 N HN 0.565 nan 8.380 nan 0.000 0.491 453 D N 0.388 120.808 120.400 0.034 0.000 2.493 453 D HA -0.001 4.639 4.640 -0.001 0.000 0.240 453 D C 1.360 177.670 176.300 0.017 0.000 1.142 453 D CA 0.098 54.139 54.000 0.069 0.000 0.872 453 D CB 0.817 41.723 40.800 0.176 0.000 1.173 453 D HN -0.007 nan 8.370 nan 0.000 0.467 454 L N 4.064 125.269 121.223 -0.031 0.000 2.109 454 L HA -0.113 4.226 4.340 -0.001 0.000 0.207 454 L C 2.002 178.712 176.870 -0.267 0.000 1.086 454 L CA 0.406 55.056 54.840 -0.317 0.000 0.760 454 L CB -0.343 41.334 42.059 -0.636 0.000 0.910 454 L HN 0.668 nan 8.230 nan 0.000 0.437 455 I N -0.238 120.302 120.570 -0.050 0.000 2.233 455 I HA -0.234 3.935 4.170 -0.001 0.000 0.243 455 I C 2.489 178.538 176.117 -0.115 0.000 1.093 455 I CA 1.406 62.619 61.300 -0.145 0.000 1.380 455 I CB -0.537 37.080 38.000 -0.638 0.000 1.067 455 I HN 0.259 nan 8.210 nan 0.000 0.413 456 L N 0.789 122.011 121.223 -0.002 0.000 2.017 456 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 456 L C 2.339 179.241 176.870 0.053 0.000 1.073 456 L CA 1.387 56.278 54.840 0.085 0.000 0.745 456 L CB -0.696 41.471 42.059 0.179 0.000 0.894 456 L HN 0.284 nan 8.230 nan 0.000 0.432 457 N N -0.327 118.389 118.700 0.027 0.000 2.223 457 N HA -0.176 4.564 4.740 -0.001 0.000 0.185 457 N C 1.804 177.320 175.510 0.011 0.000 1.016 457 N CA 0.927 53.990 53.050 0.020 0.000 0.863 457 N CB -0.156 38.327 38.487 -0.006 0.000 0.983 457 N HN 0.193 nan 8.380 nan 0.000 0.429 458 K N 1.597 122.000 120.400 0.005 0.000 2.103 458 K HA 0.023 4.343 4.320 -0.001 0.000 0.204 458 K C 1.884 178.482 176.600 -0.005 0.000 1.052 458 K CA 0.359 56.672 56.287 0.042 0.000 0.945 458 K CB -0.108 32.487 32.500 0.158 0.000 0.722 458 K HN 0.360 nan 8.250 nan 0.000 0.443 459 I N -2.050 118.502 120.570 -0.029 0.000 3.291 459 I HA -0.103 4.067 4.170 -0.001 0.000 0.279 459 I C 1.650 177.638 176.117 -0.215 0.000 1.294 459 I CA 0.600 61.839 61.300 -0.101 0.000 1.428 459 I CB 0.015 37.970 38.000 -0.074 0.000 1.070 459 I HN -0.044 nan 8.210 nan 0.000 0.478 460 R N 0.696 121.136 120.500 -0.101 0.000 2.052 460 R HA -0.042 4.298 4.340 -0.001 0.000 0.224 460 R C 2.393 178.667 176.300 -0.043 0.000 1.149 460 R CA 1.067 57.131 56.100 -0.060 0.000 0.962 460 R CB -0.629 29.762 30.300 0.152 0.000 0.856 460 R HN 0.368 nan 8.270 nan 0.000 0.433 461 Q N 1.133 120.935 119.800 0.003 0.000 2.224 461 Q HA -0.188 4.152 4.340 -0.001 0.000 0.213 461 Q C 1.757 177.747 176.000 -0.017 0.000 0.998 461 Q CA 2.469 58.280 55.803 0.013 0.000 0.895 461 Q CB -0.004 28.747 28.738 0.022 0.000 0.926 461 Q HN 0.374 nan 8.270 nan 0.000 0.417 462 V N -2.773 117.097 119.914 -0.073 0.000 3.608 462 V HA 0.077 4.196 4.120 -0.001 0.000 0.269 462 V C 0.544 176.548 176.094 -0.150 0.000 1.245 462 V CA 0.818 63.067 62.300 -0.085 0.000 1.138 462 V CB -0.199 31.575 31.823 -0.082 0.000 0.841 462 V HN 0.421 nan 8.190 nan 0.000 0.451 463 Q N -0.015 119.602 119.800 -0.304 0.000 2.487 463 Q HA -0.181 4.159 4.340 -0.001 0.000 0.279 463 Q C -0.187 175.509 176.000 -0.507 0.000 1.228 463 Q CA 0.703 56.223 55.803 -0.471 0.000 0.873 463 Q CB -1.877 26.878 28.738 0.029 0.000 1.260 463 Q HN 0.677 nan 8.270 nan 0.000 0.471 464 L N 0.830 121.714 121.223 -0.565 0.000 2.334 464 L HA 0.187 4.527 4.340 -0.001 0.000 0.286 464 L C 0.471 177.115 176.870 -0.377 0.000 1.108 464 L CA 0.030 54.676 54.840 -0.322 0.000 0.875 464 L CB -0.015 41.926 42.059 -0.197 0.000 1.246 464 L HN 0.153 nan 8.230 nan 0.000 0.439 465 F N 1.162 121.140 119.950 0.048 0.000 2.688 465 F HA 0.220 4.747 4.527 -0.001 0.000 0.310 465 F C 0.895 176.730 175.800 0.058 0.000 1.098 465 F CA -0.517 57.514 58.000 0.051 0.000 1.228 465 F CB 0.056 39.080 39.000 0.039 0.000 1.042 465 F HN 0.482 nan 8.300 nan 0.000 0.557 466 N N -0.175 118.655 118.700 0.216 0.000 2.882 466 N HA -0.169 4.571 4.740 -0.001 0.000 0.249 466 N C 0.087 175.726 175.510 0.216 0.000 1.079 466 N CA 0.915 54.099 53.050 0.223 0.000 0.800 466 N CB -1.706 36.905 38.487 0.207 0.000 1.124 466 N HN 0.316 nan 8.380 nan 0.000 0.557 467 S N -0.701 115.105 115.700 0.177 0.000 2.585 467 S HA 0.417 4.887 4.470 -0.001 0.000 0.273 467 S C -1.336 173.343 174.600 0.132 0.000 1.339 467 S CA -0.937 57.346 58.200 0.139 0.000 1.028 467 S CB 1.690 64.957 63.200 0.112 0.000 0.906 467 S HN -0.127 nan 8.310 nan 0.000 0.528 468 P HA -0.062 nan 4.420 nan 0.000 0.219 468 P C 1.305 178.648 177.300 0.071 0.000 1.146 468 P CA 1.085 64.261 63.100 0.127 0.000 0.808 468 P CB -0.167 31.597 31.700 0.107 0.000 0.779 469 S N -1.092 114.638 115.700 0.050 0.000 2.368 469 S HA -0.107 4.363 4.470 -0.001 0.000 0.225 469 S C 0.795 175.395 174.600 -0.001 0.000 1.030 469 S CA 0.940 59.151 58.200 0.017 0.000 0.999 469 S CB -1.158 62.051 63.200 0.015 0.000 0.844 469 S HN 0.203 nan 8.310 nan 0.000 0.459 470 D N 1.257 121.666 120.400 0.016 0.000 2.487 470 D HA 0.140 4.779 4.640 -0.001 0.000 0.243 470 D C 0.847 177.115 176.300 -0.053 0.000 1.154 470 D CA 0.251 54.247 54.000 -0.008 0.000 0.876 470 D CB 0.679 41.495 40.800 0.026 0.000 1.161 470 D HN 0.034 nan 8.370 nan 0.000 0.478 471 R N 1.343 121.792 120.500 -0.085 0.000 2.290 471 R HA 0.071 4.411 4.340 -0.001 0.000 0.197 471 R C -0.040 176.146 176.300 -0.190 0.000 0.913 471 R CA 0.131 56.148 56.100 -0.139 0.000 1.040 471 R CB 0.425 30.655 30.300 -0.116 0.000 0.992 471 R HN 0.371 nan 8.270 nan 0.000 0.500 472 V N -0.489 119.335 119.914 -0.150 0.000 2.378 472 V HA 0.565 4.685 4.120 -0.001 0.000 0.288 472 V C -0.718 175.311 176.094 -0.108 0.000 1.016 472 V CA -1.199 60.999 62.300 -0.171 0.000 0.840 472 V CB 1.743 33.466 31.823 -0.166 0.000 0.994 472 V HN -0.130 nan 8.190 nan 0.000 0.431 473 K N 4.450 124.788 120.400 -0.104 0.000 2.098 473 K HA 0.676 4.996 4.320 -0.001 0.000 0.261 473 K C -0.842 175.792 176.600 0.057 0.000 0.987 473 K CA -0.766 55.551 56.287 0.050 0.000 0.916 473 K CB 1.950 34.553 32.500 0.171 0.000 1.039 473 K HN 0.761 nan 8.250 nan 0.000 0.455 474 M N 3.011 122.679 119.600 0.114 0.000 2.142 474 M HA 0.363 4.843 4.480 -0.001 0.000 0.299 474 M C -1.552 174.826 176.300 0.130 0.000 0.960 474 M CA -0.544 54.806 55.300 0.084 0.000 0.920 474 M CB 0.915 33.547 32.600 0.053 0.000 1.541 474 M HN 0.387 nan 8.290 nan 0.000 0.429 475 I N 5.711 126.338 120.570 0.096 0.000 2.411 475 I HA 0.324 4.493 4.170 -0.001 0.000 0.284 475 I C -1.323 174.997 176.117 0.338 0.000 1.012 475 I CA -0.477 60.914 61.300 0.151 0.000 1.119 475 I CB 1.147 39.138 38.000 -0.015 0.000 1.261 475 I HN 0.549 nan 8.210 nan 0.000 0.448 476 F N 7.079 127.138 119.950 0.182 0.000 2.404 476 F HA 0.367 4.893 4.527 -0.000 0.000 0.354 476 F C -0.081 175.861 175.800 0.237 0.000 1.122 476 F CA -0.634 57.478 58.000 0.188 0.000 1.080 476 F CB 0.503 39.586 39.000 0.138 0.000 1.131 476 F HN 0.406 nan 8.300 nan 0.000 0.471 477 H N 8.407 127.504 119.070 0.045 0.000 2.530 477 H HA 0.332 4.888 4.556 -0.001 0.000 0.246 477 H C -2.522 172.604 175.328 -0.338 0.000 1.346 477 H CA -2.121 53.864 56.048 -0.106 0.000 1.424 477 H CB 1.305 31.062 29.762 -0.009 0.000 1.445 477 H HN 0.333 nan 8.280 nan 0.000 0.511 478 P HA 0.091 nan 4.420 nan 0.000 0.232 478 P C -0.481 176.361 177.300 -0.763 0.000 1.738 478 P CA 0.347 62.955 63.100 -0.820 0.000 0.948 478 P CB -0.140 31.008 31.700 -0.920 0.000 1.943 479 E N 0.346 120.154 120.200 -0.653 0.000 2.478 479 E HA 0.330 4.680 4.350 -0.001 0.000 0.293 479 E C -1.025 175.425 176.600 -0.249 0.000 1.011 479 E CA -0.722 55.330 56.400 -0.580 0.000 0.834 479 E CB 0.281 29.508 29.700 -0.788 0.000 1.226 479 E HN -0.160 nan 8.360 nan 0.000 0.419 480 F N 1.982 121.910 119.950 -0.036 0.000 2.532 480 F HA 0.262 4.788 4.527 -0.001 0.000 0.323 480 F C 0.756 176.598 175.800 0.070 0.000 1.234 480 F CA 0.085 58.093 58.000 0.014 0.000 1.323 480 F CB 0.345 39.327 39.000 -0.032 0.000 1.183 480 F HN 0.303 nan 8.300 nan 0.000 0.589 481 L N 2.019 123.398 121.223 0.261 0.000 2.309 481 L HA 0.408 4.747 4.340 -0.001 0.000 0.282 481 L C -0.379 176.552 176.870 0.102 0.000 1.036 481 L CA -0.556 54.348 54.840 0.106 0.000 0.806 481 L CB 1.010 43.034 42.059 -0.057 0.000 1.220 481 L HN 0.554 nan 8.230 nan 0.000 0.429 482 N N 0.890 119.632 118.700 0.070 0.000 2.287 482 N HA 0.299 5.038 4.740 -0.001 0.000 0.289 482 N C 0.328 175.852 175.510 0.023 0.000 1.066 482 N CA -0.339 52.743 53.050 0.052 0.000 0.841 482 N CB 2.326 40.856 38.487 0.072 0.000 1.599 482 N HN 0.657 nan 8.380 nan 0.000 0.476 483 A N 1.959 124.785 122.820 0.009 0.000 2.131 483 A HA -0.189 4.131 4.320 -0.001 0.000 0.220 483 A C 1.091 178.673 177.584 -0.004 0.000 1.158 483 A CA 1.497 53.531 52.037 -0.007 0.000 0.665 483 A CB -0.798 18.198 19.000 -0.008 0.000 0.795 483 A HN 0.834 nan 8.150 nan 0.000 0.460 484 N N -0.708 118.000 118.700 0.015 0.000 2.322 484 N HA 0.043 4.783 4.740 -0.001 0.000 0.216 484 N C -0.523 175.009 175.510 0.037 0.000 1.144 484 N CA -0.319 52.744 53.050 0.021 0.000 0.830 484 N CB -0.049 38.455 38.487 0.028 0.000 1.034 484 N HN 0.139 nan 8.380 nan 0.000 0.484 485 N N 1.537 120.255 118.700 0.031 0.000 2.444 485 N HA 0.155 4.895 4.740 -0.001 0.000 0.271 485 N C -1.527 173.932 175.510 -0.086 0.000 1.069 485 N CA -1.978 51.095 53.050 0.038 0.000 0.965 485 N CB 1.380 39.920 38.487 0.090 0.000 1.092 485 N HN 0.034 nan 8.380 nan 0.000 0.476 486 P HA -0.123 nan 4.420 nan 0.000 0.216 486 P C 1.077 178.219 177.300 -0.262 0.000 1.150 486 P CA 0.854 63.819 63.100 -0.225 0.000 0.843 486 P CB 0.424 31.936 31.700 -0.314 0.000 0.787 487 I N -1.994 118.319 120.570 -0.428 0.000 2.260 487 I HA -0.003 4.166 4.170 -0.001 0.000 0.237 487 I C 1.032 177.085 176.117 -0.108 0.000 1.075 487 I CA 0.892 62.049 61.300 -0.238 0.000 1.376 487 I CB -0.672 37.116 38.000 -0.354 0.000 1.107 487 I HN -0.150 nan 8.210 nan 0.000 0.420 488 L N 0.523 121.596 121.223 -0.250 0.000 2.417 488 L HA 0.528 4.868 4.340 -0.001 0.000 0.259 488 L C 0.683 177.425 176.870 -0.214 0.000 1.023 488 L CA -0.295 54.342 54.840 -0.338 0.000 0.901 488 L CB 0.503 42.113 42.059 -0.748 0.000 1.227 488 L HN 0.166 nan 8.230 nan 0.000 0.454 489 G N 5.389 114.119 108.800 -0.117 0.000 3.356 489 G HA2 0.282 4.242 3.960 -0.001 0.000 0.239 489 G HA3 0.282 4.242 3.960 -0.001 0.000 0.239 489 G C -0.000 174.859 174.900 -0.068 0.000 1.252 489 G CA 0.029 45.084 45.100 -0.074 0.000 1.611 489 G HN 0.460 nan 8.290 nan 0.000 0.580 490 L N -0.882 120.283 121.223 -0.097 0.000 2.323 490 L HA 0.510 4.849 4.340 -0.001 0.000 0.265 490 L C -0.467 176.377 176.870 -0.042 0.000 1.012 490 L CA -1.359 53.442 54.840 -0.066 0.000 0.820 490 L CB 1.774 43.793 42.059 -0.068 0.000 1.334 490 L HN -0.106 nan 8.230 nan 0.000 0.427 491 D N -0.859 119.537 120.400 -0.005 0.000 2.411 491 D HA 0.034 4.674 4.640 -0.001 0.000 0.251 491 D C 0.378 176.724 176.300 0.076 0.000 1.201 491 D CA -0.136 53.887 54.000 0.038 0.000 0.996 491 D CB 0.839 41.664 40.800 0.042 0.000 1.101 491 D HN 0.470 nan 8.370 nan 0.000 0.504 492 Y N 0.828 121.132 120.300 0.007 0.000 2.200 492 Y HA -0.211 4.339 4.550 -0.001 0.000 0.290 492 Y C 1.958 177.899 175.900 0.068 0.000 1.137 492 Y CA 2.120 60.244 58.100 0.039 0.000 1.163 492 Y CB 0.073 38.571 38.460 0.063 0.000 0.988 492 Y HN 0.438 nan 8.280 nan 0.000 0.518 493 D N -0.213 120.269 120.400 0.137 0.000 2.123 493 D HA -0.246 4.393 4.640 -0.001 0.000 0.196 493 D C 1.605 177.877 176.300 -0.047 0.000 0.992 493 D CA 1.798 55.832 54.000 0.057 0.000 0.833 493 D CB -0.541 40.369 40.800 0.184 0.000 0.954 493 D HN 0.589 nan 8.370 nan 0.000 0.455 494 E N -0.334 119.852 120.200 -0.022 0.000 2.058 494 E HA -0.163 4.187 4.350 -0.001 0.000 0.194 494 E C 2.023 178.553 176.600 -0.117 0.000 0.997 494 E CA 1.017 57.388 56.400 -0.049 0.000 0.801 494 E CB -0.335 29.348 29.700 -0.028 0.000 0.746 494 E HN 0.328 nan 8.360 nan 0.000 0.450 495 F N 1.276 121.038 119.950 -0.314 0.000 2.075 495 F HA -0.233 4.294 4.527 -0.001 0.000 0.297 495 F C 2.145 177.624 175.800 -0.535 0.000 1.113 495 F CA 1.119 58.847 58.000 -0.454 0.000 1.218 495 F CB -0.513 38.160 39.000 -0.545 0.000 0.984 495 F HN -0.205 nan 8.300 nan 0.000 0.472 496 V N 1.371 120.840 119.914 -0.742 0.000 2.250 496 V HA -0.380 3.739 4.120 -0.001 0.000 0.250 496 V C 2.647 178.504 176.094 -0.394 0.000 1.060 496 V CA 2.507 64.337 62.300 -0.782 0.000 1.030 496 V CB -0.748 30.760 31.823 -0.525 0.000 0.643 496 V HN 0.332 nan 8.190 nan 0.000 0.445 497 R N -0.158 120.201 120.500 -0.235 0.000 2.105 497 R HA -0.128 4.211 4.340 -0.001 0.000 0.239 497 R C 2.314 178.589 176.300 -0.042 0.000 1.135 497 R CA 1.437 57.493 56.100 -0.072 0.000 0.967 497 R CB -0.760 29.524 30.300 -0.027 0.000 0.861 497 R HN 0.617 nan 8.270 nan 0.000 0.442 498 G N -0.028 108.628 108.800 -0.239 0.000 2.679 498 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.212 498 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.212 498 G C 0.521 175.249 174.900 -0.287 0.000 1.137 498 G CA 0.080 44.988 45.100 -0.321 0.000 0.787 498 G HN 0.221 nan 8.290 nan 0.000 0.534 499 C N -1.224 117.926 119.300 -0.250 0.000 2.478 499 C HA 0.536 4.996 4.460 -0.001 0.000 0.379 499 C C 1.480 176.487 174.990 0.029 0.000 1.470 499 C CA -0.585 58.378 59.018 -0.091 0.000 2.066 499 C CB 0.989 28.699 27.740 -0.050 0.000 2.001 499 C HN 0.479 nan 8.230 nan 0.000 0.550 500 H N -0.825 118.483 119.070 0.398 0.000 2.788 500 H HA 0.388 4.944 4.556 -0.000 0.000 0.262 500 H C -0.473 174.936 175.328 0.135 0.000 0.968 500 H CA 0.446 56.724 56.048 0.383 0.000 1.218 500 H CB 0.673 30.758 29.762 0.538 0.000 1.443 500 H HN 0.341 nan 8.280 nan 0.000 0.478 501 L N 0.596 121.865 121.223 0.078 0.000 2.676 501 L HA 0.507 4.847 4.340 -0.001 0.000 0.262 501 L C -0.569 175.959 176.870 -0.569 0.000 0.932 501 L CA -0.574 53.990 54.840 -0.460 0.000 0.932 501 L CB 1.644 43.035 42.059 -1.114 0.000 1.355 501 L HN 0.084 nan 8.230 nan 0.000 0.421 502 G N 3.389 111.770 108.800 -0.698 0.000 2.395 502 G HA2 0.576 4.536 3.960 -0.001 0.000 0.283 502 G HA3 0.576 4.536 3.960 -0.001 0.000 0.283 502 G C -1.223 172.819 174.900 -1.429 0.000 1.178 502 G CA -0.429 43.851 45.100 -1.367 0.000 0.837 502 G HN 0.558 nan 8.290 nan 0.000 0.518 503 V N 2.127 120.967 119.914 -1.789 0.000 2.380 503 V HA 0.394 4.513 4.120 -0.001 0.000 0.286 503 V C -1.182 174.149 176.094 -1.272 0.000 1.015 503 V CA -0.601 60.980 62.300 -1.197 0.000 0.834 503 V CB 0.761 32.284 31.823 -0.501 0.000 1.009 503 V HN 0.637 nan 8.190 nan 0.000 0.428 504 F N 5.337 125.127 119.950 -0.265 0.000 2.550 504 F HA 0.445 4.972 4.527 -0.001 0.000 0.348 504 F C -2.336 173.396 175.800 -0.113 0.000 1.219 504 F CA -2.479 55.402 58.000 -0.198 0.000 1.203 504 F CB 1.382 40.276 39.000 -0.177 0.000 1.436 504 F HN 0.297 nan 8.300 nan 0.000 0.541 505 P HA 0.077 nan 4.420 nan 0.000 0.237 505 P C -0.234 177.107 177.300 0.069 0.000 1.723 505 P CA 0.170 63.292 63.100 0.038 0.000 0.882 505 P CB -0.125 31.601 31.700 0.044 0.000 1.810 506 S N 0.192 115.941 115.700 0.083 0.000 2.564 506 S HA 0.055 4.525 4.470 -0.001 0.000 0.278 506 S C 0.446 175.150 174.600 0.173 0.000 1.333 506 S CA -0.184 58.081 58.200 0.108 0.000 1.048 506 S CB 0.576 63.816 63.200 0.067 0.000 0.900 506 S HN 0.280 nan 8.310 nan 0.000 0.505 507 Y N 1.773 122.128 120.300 0.091 0.000 2.500 507 Y HA 0.324 4.873 4.550 -0.001 0.000 0.284 507 Y C -0.146 175.955 175.900 0.336 0.000 1.118 507 Y CA 0.047 58.249 58.100 0.171 0.000 1.241 507 Y CB 0.217 38.773 38.460 0.159 0.000 1.171 507 Y HN 0.691 nan 8.280 nan 0.000 0.540 508 Y N 1.893 122.185 120.300 -0.013 0.000 2.326 508 Y HA 0.483 5.033 4.550 -0.001 0.000 0.329 508 Y C -1.245 174.666 175.900 0.018 0.000 0.973 508 Y CA -1.229 56.820 58.100 -0.085 0.000 1.162 508 Y CB 0.943 39.262 38.460 -0.235 0.000 1.147 508 Y HN 0.199 nan 8.280 nan 0.000 0.456 509 E N 8.179 128.126 120.200 -0.422 0.000 2.639 509 E HA 0.270 4.619 4.350 -0.001 0.000 0.378 509 E C -2.749 173.716 176.600 -0.225 0.000 1.002 509 E CA -1.485 54.770 56.400 -0.241 0.000 0.747 509 E CB 1.330 30.979 29.700 -0.085 0.000 1.571 509 E HN 0.371 nan 8.360 nan 0.000 0.382 510 P HA -0.074 nan 4.420 nan 0.000 0.218 510 P C 0.109 177.509 177.300 0.166 0.000 1.149 510 P CA 0.951 64.018 63.100 -0.054 0.000 0.817 510 P CB 0.159 31.856 31.700 -0.005 0.000 0.785 511 W N -1.282 119.969 121.300 -0.083 0.000 4.677 511 W HA 0.337 4.997 4.660 -0.001 0.000 0.187 511 W C -0.599 175.861 176.519 -0.098 0.000 1.786 511 W CA 0.512 57.797 57.345 -0.099 0.000 2.308 511 W CB 0.372 29.723 29.460 -0.182 0.000 1.158 511 W HN -0.011 nan 8.180 nan 0.000 0.865 512 G N 1.777 110.462 108.800 -0.191 0.000 2.788 512 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.301 512 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.301 512 G C -0.688 173.920 174.900 -0.486 0.000 1.000 512 G CA -0.045 44.852 45.100 -0.339 0.000 1.267 512 G HN 0.441 nan 8.290 nan 0.000 0.578 513 Y N 0.648 120.884 120.300 -0.107 0.000 2.314 513 Y HA -0.144 4.406 4.550 -0.000 0.000 0.293 513 Y C 3.209 178.947 175.900 -0.270 0.000 1.129 513 Y CA 2.165 60.217 58.100 -0.081 0.000 1.201 513 Y CB 0.216 38.727 38.460 0.086 0.000 0.999 513 Y HN 0.689 nan 8.280 nan 0.000 0.541 514 T N -1.078 113.388 114.554 -0.147 0.000 2.665 514 T HA -0.172 4.178 4.350 -0.001 0.000 0.268 514 T C -0.593 173.694 174.700 -0.688 0.000 1.035 514 T CA 1.263 63.193 62.100 -0.284 0.000 1.151 514 T CB -1.841 66.874 68.868 -0.255 0.000 0.862 514 T HN 0.250 nan 8.240 nan 0.000 0.438 515 P HA 0.129 nan 4.420 nan 0.000 0.217 515 P C 1.723 178.456 177.300 -0.945 0.000 1.151 515 P CA 1.413 63.845 63.100 -1.113 0.000 0.828 515 P CB -0.291 30.918 31.700 -0.819 0.000 0.788 516 A N 1.385 123.432 122.820 -1.288 0.000 1.930 516 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 516 A C 2.213 179.509 177.584 -0.480 0.000 1.175 516 A CA 1.748 53.040 52.037 -1.243 0.000 0.627 516 A CB -1.235 17.146 19.000 -1.032 0.000 0.815 516 A HN 0.406 nan 8.150 nan 0.000 0.443 517 E N -1.135 118.878 120.200 -0.312 0.000 2.285 517 E HA -0.121 4.229 4.350 -0.001 0.000 0.194 517 E C 1.891 178.342 176.600 -0.250 0.000 0.997 517 E CA 0.894 57.129 56.400 -0.275 0.000 0.845 517 E CB -0.718 28.927 29.700 -0.091 0.000 0.782 517 E HN 0.484 nan 8.360 nan 0.000 0.491 518 C N 1.129 120.320 119.300 -0.181 0.000 2.432 518 C HA -0.098 4.361 4.460 -0.001 0.000 0.277 518 C C 2.771 177.728 174.990 -0.054 0.000 1.249 518 C CA 1.694 60.693 59.018 -0.032 0.000 1.725 518 C CB -1.102 26.666 27.740 0.046 0.000 2.028 518 C HN 0.560 nan 8.230 nan 0.000 0.477 519 T N 0.271 114.764 114.554 -0.102 0.000 2.777 519 T HA -0.117 4.233 4.350 -0.001 0.000 0.266 519 T C 1.775 176.440 174.700 -0.058 0.000 1.040 519 T CA 1.708 63.793 62.100 -0.025 0.000 1.141 519 T CB -0.293 68.610 68.868 0.059 0.000 0.868 519 T HN 0.421 nan 8.240 nan 0.000 0.444 520 V N 1.507 121.327 119.914 -0.157 0.000 2.469 520 V HA -0.129 3.991 4.120 -0.001 0.000 0.251 520 V C 2.223 178.214 176.094 -0.173 0.000 1.064 520 V CA 1.518 63.702 62.300 -0.194 0.000 1.066 520 V CB -0.559 31.032 31.823 -0.387 0.000 0.667 520 V HN 0.527 nan 8.190 nan 0.000 0.461 521 M N -0.420 119.066 119.600 -0.190 0.000 2.618 521 M HA 0.214 4.693 4.480 -0.001 0.000 0.240 521 M C 1.318 177.612 176.300 -0.011 0.000 1.123 521 M CA 0.875 56.122 55.300 -0.089 0.000 1.060 521 M CB 0.103 32.658 32.600 -0.075 0.000 1.535 521 M HN 0.510 nan 8.290 nan 0.000 0.507 522 G N 1.110 109.908 108.800 -0.003 0.000 2.212 522 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.255 522 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.255 522 G C -0.365 174.560 174.900 0.041 0.000 1.062 522 G CA -0.295 44.822 45.100 0.029 0.000 0.815 522 G HN 0.329 nan 8.290 nan 0.000 0.497 523 V N 0.702 120.643 119.914 0.045 0.000 2.495 523 V HA 0.528 4.648 4.120 -0.001 0.000 0.298 523 V C -1.762 174.364 176.094 0.052 0.000 1.031 523 V CA -1.874 60.462 62.300 0.060 0.000 0.871 523 V CB 2.211 34.087 31.823 0.089 0.000 0.988 523 V HN 0.118 nan 8.190 nan 0.000 0.432 524 P HA 0.199 nan 4.420 nan 0.000 0.266 524 P C -0.725 176.502 177.300 -0.122 0.000 1.193 524 P CA 0.269 63.372 63.100 0.005 0.000 0.770 524 P CB 0.454 32.144 31.700 -0.016 0.000 0.836 525 S N 0.978 116.622 115.700 -0.092 0.000 2.547 525 S HA 0.642 5.111 4.470 -0.001 0.000 0.270 525 S C -0.942 173.574 174.600 -0.139 0.000 1.150 525 S CA -0.854 57.269 58.200 -0.128 0.000 0.850 525 S CB 0.930 64.213 63.200 0.138 0.000 1.118 525 S HN 0.209 nan 8.310 nan 0.000 0.461 526 I N 1.686 122.103 120.570 -0.255 0.000 2.389 526 I HA 0.534 4.704 4.170 -0.001 0.000 0.288 526 I C 0.249 176.339 176.117 -0.046 0.000 0.999 526 I CA -0.219 60.955 61.300 -0.210 0.000 1.129 526 I CB 1.930 39.715 38.000 -0.360 0.000 1.288 526 I HN 0.742 nan 8.210 nan 0.000 0.444 527 T N 3.450 118.009 114.554 0.009 0.000 2.768 527 T HA 0.652 5.002 4.350 -0.001 0.000 0.268 527 T C -0.016 174.670 174.700 -0.022 0.000 0.969 527 T CA -0.221 61.910 62.100 0.052 0.000 1.008 527 T CB 1.656 70.591 68.868 0.112 0.000 1.371 527 T HN 0.741 nan 8.240 nan 0.000 0.587 528 T N -0.120 114.418 114.554 -0.027 0.000 2.883 528 T HA 0.433 4.782 4.350 -0.001 0.000 0.284 528 T C 0.525 175.165 174.700 -0.101 0.000 1.041 528 T CA -0.688 61.380 62.100 -0.054 0.000 1.007 528 T CB 0.986 69.836 68.868 -0.029 0.000 1.220 528 T HN 0.591 nan 8.240 nan 0.000 0.552 529 N N -0.044 118.578 118.700 -0.131 0.000 2.270 529 N HA 0.022 4.762 4.740 -0.001 0.000 0.198 529 N C 1.118 176.475 175.510 -0.255 0.000 1.117 529 N CA 0.379 53.327 53.050 -0.170 0.000 0.845 529 N CB -0.231 38.172 38.487 -0.141 0.000 0.980 529 N HN 0.594 nan 8.380 nan 0.000 0.486 530 V N -4.187 115.560 119.914 -0.278 0.000 3.528 530 V HA 0.332 4.451 4.120 -0.001 0.000 0.294 530 V C 0.778 176.776 176.094 -0.160 0.000 1.404 530 V CA -0.408 61.660 62.300 -0.387 0.000 1.065 530 V CB -0.484 30.901 31.823 -0.729 0.000 0.904 530 V HN 0.217 nan 8.190 nan 0.000 0.435 531 S N 1.327 116.955 115.700 -0.120 0.000 2.565 531 S HA 0.521 4.990 4.470 -0.001 0.000 0.276 531 S C 1.599 176.142 174.600 -0.096 0.000 1.326 531 S CA 0.326 58.467 58.200 -0.098 0.000 1.045 531 S CB 1.199 64.347 63.200 -0.086 0.000 0.918 531 S HN 0.602 nan 8.310 nan 0.000 0.505 532 G N 3.639 112.398 108.800 -0.068 0.000 2.446 532 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.217 532 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.217 532 G C 1.073 175.881 174.900 -0.153 0.000 1.168 532 G CA 0.866 45.984 45.100 0.030 0.000 0.771 532 G HN 0.784 nan 8.290 nan 0.000 0.551 533 F N 2.557 122.063 119.950 -0.741 0.000 2.186 533 F HA 0.082 4.609 4.527 -0.000 0.000 0.299 533 F C 2.467 178.016 175.800 -0.417 0.000 1.090 533 F CA 1.276 58.664 58.000 -1.019 0.000 1.307 533 F CB -0.484 37.798 39.000 -1.196 0.000 1.019 533 F HN 0.114 nan 8.300 nan 0.000 0.489 534 G N 0.101 108.693 108.800 -0.346 0.000 2.511 534 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.216 534 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.216 534 G C 1.791 176.524 174.900 -0.279 0.000 1.218 534 G CA 1.833 46.739 45.100 -0.323 0.000 0.788 534 G HN 0.530 nan 8.290 nan 0.000 0.560 535 S N 0.225 115.830 115.700 -0.159 0.000 2.393 535 S HA -0.399 4.071 4.470 -0.001 0.000 0.235 535 S C 2.203 176.771 174.600 -0.052 0.000 1.061 535 S CA 2.199 60.354 58.200 -0.074 0.000 1.129 535 S CB -1.064 62.140 63.200 0.007 0.000 1.011 535 S HN 0.493 nan 8.310 nan 0.000 0.436 536 Y N 1.517 121.721 120.300 -0.160 0.000 2.165 536 Y HA -0.048 4.501 4.550 -0.001 0.000 0.286 536 Y C 2.542 178.299 175.900 -0.239 0.000 1.155 536 Y CA 1.777 59.806 58.100 -0.118 0.000 1.164 536 Y CB -0.613 37.870 38.460 0.039 0.000 0.978 536 Y HN 0.252 nan 8.280 nan 0.000 0.513 537 M N 0.553 119.842 119.600 -0.517 0.000 2.175 537 M HA -0.147 4.333 4.480 -0.001 0.000 0.264 537 M C 2.106 178.151 176.300 -0.425 0.000 1.063 537 M CA 1.504 56.431 55.300 -0.622 0.000 1.119 537 M CB -0.846 31.264 32.600 -0.817 0.000 1.377 537 M HN 0.374 nan 8.290 nan 0.000 0.415 538 E N -0.080 119.931 120.200 -0.315 0.000 2.171 538 E HA -0.214 4.136 4.350 -0.001 0.000 0.197 538 E C 0.079 176.560 176.600 -0.198 0.000 0.997 538 E CA 1.350 57.624 56.400 -0.209 0.000 0.810 538 E CB 0.010 29.625 29.700 -0.141 0.000 0.738 538 E HN 0.434 nan 8.360 nan 0.000 0.467 539 D N -0.210 120.042 120.400 -0.246 0.000 2.519 539 D HA 0.178 4.818 4.640 -0.001 0.000 0.238 539 D C -0.324 175.829 176.300 -0.244 0.000 1.192 539 D CA 0.379 54.254 54.000 -0.209 0.000 0.835 539 D CB 0.050 40.740 40.800 -0.183 0.000 0.975 539 D HN 0.127 nan 8.370 nan 0.000 0.490 547 K N 1.235 121.556 120.400 -0.132 0.000 2.360 547 K HA -0.066 4.253 4.320 -0.001 0.000 0.201 547 K C 0.555 176.998 176.600 -0.262 0.000 1.046 547 K CA 1.251 57.340 56.287 -0.330 0.000 0.945 547 K CB -0.180 31.971 32.500 -0.582 0.000 0.750 547 K HN 0.505 nan 8.250 nan 0.000 0.464 548 D N 0.294 120.602 120.400 -0.154 0.000 2.311 548 D HA -0.166 4.473 4.640 -0.001 0.000 0.212 548 D C 1.011 177.179 176.300 -0.219 0.000 0.972 548 D CA 1.222 55.111 54.000 -0.185 0.000 0.887 548 D CB -0.024 40.632 40.800 -0.240 0.000 0.915 548 D HN 0.318 nan 8.370 nan 0.000 0.497 549 Y N -0.081 120.182 120.300 -0.062 0.000 2.490 549 Y HA 0.234 4.783 4.550 -0.001 0.000 0.281 549 Y C 1.837 177.743 175.900 0.010 0.000 1.174 549 Y CA 0.412 58.496 58.100 -0.026 0.000 1.295 549 Y CB 0.509 38.943 38.460 -0.043 0.000 1.062 549 Y HN 0.043 nan 8.280 nan 0.000 0.522 550 G N 0.555 109.433 108.800 0.131 0.000 2.141 550 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.231 550 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.231 550 G C -0.101 174.924 174.900 0.208 0.000 0.984 550 G CA -0.089 45.133 45.100 0.202 0.000 0.660 550 G HN 0.272 nan 8.290 nan 0.000 0.525 551 I N 1.030 121.667 120.570 0.112 0.000 2.411 551 I HA 0.413 4.583 4.170 -0.001 0.000 0.284 551 I C -0.210 175.895 176.117 -0.020 0.000 1.012 551 I CA -1.117 60.237 61.300 0.089 0.000 1.119 551 I CB 1.016 39.020 38.000 0.006 0.000 1.261 551 I HN 0.106 nan 8.210 nan 0.000 0.448 552 Y N 6.269 126.432 120.300 -0.229 0.000 2.323 552 Y HA 0.583 5.132 4.550 -0.001 0.000 0.331 552 Y C 0.221 175.865 175.900 -0.425 0.000 1.092 552 Y CA -0.913 56.917 58.100 -0.450 0.000 1.150 552 Y CB 1.566 39.581 38.460 -0.743 0.000 1.200 552 Y HN 0.326 nan 8.280 nan 0.000 0.472 553 I N 3.900 124.299 120.570 -0.284 0.000 2.411 553 I HA 0.226 4.396 4.170 -0.001 0.000 0.284 553 I C -0.870 175.179 176.117 -0.112 0.000 1.012 553 I CA -0.804 60.394 61.300 -0.171 0.000 1.119 553 I CB 1.364 39.291 38.000 -0.122 0.000 1.261 553 I HN 0.314 nan 8.210 nan 0.000 0.448 554 V N 4.970 124.843 119.914 -0.069 0.000 2.614 554 V HA 0.039 4.158 4.120 -0.001 0.000 0.291 554 V C 0.315 176.438 176.094 0.048 0.000 1.049 554 V CA -0.085 62.263 62.300 0.080 0.000 1.038 554 V CB 1.379 33.250 31.823 0.081 0.000 0.980 554 V HN 0.627 nan 8.190 nan 0.000 0.481 555 D N 4.716 125.169 120.400 0.087 0.000 2.352 555 D HA 0.152 4.792 4.640 -0.001 0.000 0.245 555 D C 0.803 177.104 176.300 0.003 0.000 1.224 555 D CA -0.066 53.958 54.000 0.040 0.000 0.879 555 D CB 0.612 41.479 40.800 0.111 0.000 1.057 555 D HN 0.365 nan 8.370 nan 0.000 0.491 556 R N 3.086 123.543 120.500 -0.071 0.000 2.365 556 R HA 0.116 4.456 4.340 -0.001 0.000 0.223 556 R C 1.625 177.858 176.300 -0.113 0.000 0.899 556 R CA -0.006 56.067 56.100 -0.044 0.000 1.059 556 R CB 0.446 30.748 30.300 0.005 0.000 1.086 556 R HN 0.429 nan 8.270 nan 0.000 0.522 557 R N -0.829 119.477 120.500 -0.323 0.000 2.175 557 R HA 0.089 4.429 4.340 -0.001 0.000 0.202 557 R C 0.718 176.707 176.300 -0.519 0.000 1.018 557 R CA 0.809 56.573 56.100 -0.561 0.000 1.029 557 R CB 0.306 29.988 30.300 -1.030 0.000 0.959 557 R HN -0.029 nan 8.270 nan 0.000 0.480 558 F N 0.405 120.355 119.950 -0.001 0.000 2.537 558 F HA 0.333 4.860 4.527 -0.001 0.000 0.277 558 F C 0.548 176.360 175.800 0.020 0.000 1.013 558 F CA -0.047 57.956 58.000 0.006 0.000 1.332 558 F CB -0.264 38.728 39.000 -0.014 0.000 1.108 558 F HN -0.329 nan 8.300 nan 0.000 0.679 559 K N 1.311 121.821 120.400 0.184 0.000 2.319 559 K HA 0.445 4.765 4.320 -0.001 0.000 0.265 559 K C 0.175 176.822 176.600 0.078 0.000 1.000 559 K CA -0.159 56.194 56.287 0.110 0.000 0.943 559 K CB 0.572 33.123 32.500 0.086 0.000 0.950 559 K HN 0.096 nan 8.250 nan 0.000 0.485 560 A N 3.088 125.945 122.820 0.061 0.000 2.346 560 A HA 0.179 4.498 4.320 -0.001 0.000 0.252 560 A C -1.583 176.019 177.584 0.030 0.000 1.089 560 A CA -1.268 50.798 52.037 0.048 0.000 0.797 560 A CB -0.195 18.829 19.000 0.039 0.000 1.047 560 A HN 0.499 nan 8.150 nan 0.000 0.494 561 P HA -0.212 nan 4.420 nan 0.000 0.218 561 P C 0.900 178.199 177.300 -0.002 0.000 1.152 561 P CA 1.786 64.885 63.100 -0.003 0.000 0.857 561 P CB 0.191 31.884 31.700 -0.013 0.000 0.787 562 D N -0.747 119.654 120.400 0.002 0.000 2.137 562 D HA -0.112 4.528 4.640 -0.001 0.000 0.202 562 D C 1.693 177.992 176.300 -0.002 0.000 0.970 562 D CA 0.882 54.879 54.000 -0.004 0.000 0.837 562 D CB 0.028 40.824 40.800 -0.007 0.000 0.981 562 D HN 0.213 nan 8.370 nan 0.000 0.475 563 E N 0.240 120.444 120.200 0.007 0.000 2.204 563 E HA -0.100 4.250 4.350 -0.001 0.000 0.195 563 E C 2.232 178.843 176.600 0.019 0.000 0.990 563 E CA 0.615 57.020 56.400 0.010 0.000 0.821 563 E CB 0.097 29.809 29.700 0.019 0.000 0.750 563 E HN 0.079 nan 8.360 nan 0.000 0.477 564 S N 0.540 116.256 115.700 0.027 0.000 2.343 564 S HA -0.154 4.316 4.470 -0.001 0.000 0.219 564 S C 2.247 176.870 174.600 0.037 0.000 1.033 564 S CA 1.106 59.330 58.200 0.039 0.000 1.014 564 S CB -0.297 62.921 63.200 0.030 0.000 0.915 564 S HN 0.073 nan 8.310 nan 0.000 0.435 565 V N 2.490 122.413 119.914 0.016 0.000 2.250 565 V HA -0.218 3.902 4.120 -0.001 0.000 0.250 565 V C 2.609 178.706 176.094 0.005 0.000 1.060 565 V CA 1.836 64.140 62.300 0.007 0.000 1.030 565 V CB -0.695 31.121 31.823 -0.011 0.000 0.643 565 V HN 0.412 nan 8.190 nan 0.000 0.445 566 E N -0.312 119.883 120.200 -0.008 0.000 2.085 566 E HA -0.295 4.055 4.350 -0.001 0.000 0.194 566 E C 2.223 178.807 176.600 -0.026 0.000 0.994 566 E CA 1.703 58.089 56.400 -0.023 0.000 0.801 566 E CB -0.355 29.325 29.700 -0.033 0.000 0.743 566 E HN 0.752 nan 8.360 nan 0.000 0.453 567 Q N 0.456 120.250 119.800 -0.009 0.000 2.181 567 Q HA -0.134 4.206 4.340 -0.001 0.000 0.205 567 Q C 2.347 178.375 176.000 0.048 0.000 0.980 567 Q CA 0.838 56.621 55.803 -0.034 0.000 0.862 567 Q CB -0.095 28.680 28.738 0.060 0.000 0.905 567 Q HN 0.265 nan 8.270 nan 0.000 0.429 568 L N -0.131 121.167 121.223 0.124 0.000 2.017 568 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 568 L C 2.222 179.159 176.870 0.112 0.000 1.073 568 L CA 1.148 56.092 54.840 0.173 0.000 0.745 568 L CB -0.198 41.913 42.059 0.087 0.000 0.894 568 L HN 0.209 nan 8.230 nan 0.000 0.432 569 V N -0.610 119.328 119.914 0.040 0.000 2.407 569 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 569 V C 2.067 178.177 176.094 0.026 0.000 1.055 569 V CA 1.772 64.088 62.300 0.026 0.000 1.049 569 V CB -0.803 31.018 31.823 -0.004 0.000 0.662 569 V HN 0.452 nan 8.190 nan 0.000 0.455 570 D N -0.529 119.850 120.400 -0.035 0.000 2.117 570 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 570 D C 2.100 178.380 176.300 -0.034 0.000 0.987 570 D CA 1.582 55.529 54.000 -0.089 0.000 0.829 570 D CB -0.337 40.329 40.800 -0.224 0.000 0.961 570 D HN 0.565 nan 8.370 nan 0.000 0.460 571 Y N 0.523 120.870 120.300 0.079 0.000 2.145 571 Y HA -0.134 4.416 4.550 -0.001 0.000 0.286 571 Y C 2.697 178.605 175.900 0.013 0.000 1.145 571 Y CA 0.719 58.879 58.100 0.101 0.000 1.148 571 Y CB -0.166 38.332 38.460 0.063 0.000 0.981 571 Y HN -0.122 nan 8.280 nan 0.000 0.507 572 M N -0.200 119.492 119.600 0.154 0.000 2.067 572 M HA -0.259 4.221 4.480 -0.001 0.000 0.260 572 M C 2.208 178.669 176.300 0.268 0.000 1.069 572 M CA 1.895 57.304 55.300 0.182 0.000 1.117 572 M CB -0.379 32.363 32.600 0.236 0.000 1.334 572 M HN 0.230 nan 8.290 nan 0.000 0.407 573 E N 0.706 121.008 120.200 0.171 0.000 2.048 573 E HA -0.312 4.038 4.350 -0.001 0.000 0.202 573 E C 1.845 178.529 176.600 0.140 0.000 1.021 573 E CA 2.094 58.569 56.400 0.124 0.000 0.825 573 E CB -0.162 29.578 29.700 0.067 0.000 0.756 573 E HN 0.508 nan 8.360 nan 0.000 0.454 574 E N -0.719 119.576 120.200 0.159 0.000 2.147 574 E HA -0.263 4.087 4.350 -0.001 0.000 0.199 574 E C 1.904 178.628 176.600 0.207 0.000 1.005 574 E CA 1.454 57.960 56.400 0.177 0.000 0.810 574 E CB -0.315 29.533 29.700 0.248 0.000 0.736 574 E HN 0.389 nan 8.360 nan 0.000 0.460 575 F N 0.581 120.604 119.950 0.122 0.000 2.163 575 F HA -0.129 4.398 4.527 -0.001 0.000 0.297 575 F C 2.091 177.950 175.800 0.097 0.000 1.094 575 F CA 1.202 59.264 58.000 0.104 0.000 1.290 575 F CB -0.172 38.842 39.000 0.023 0.000 1.017 575 F HN -0.098 nan 8.300 nan 0.000 0.483 576 V N 0.461 120.485 119.914 0.183 0.000 2.343 576 V HA -0.296 3.824 4.120 -0.001 0.000 0.247 576 V C 1.640 177.688 176.094 -0.076 0.000 1.051 576 V CA 1.956 64.276 62.300 0.033 0.000 1.036 576 V CB -0.831 31.019 31.823 0.045 0.000 0.654 576 V HN 0.228 nan 8.190 nan 0.000 0.451 577 K N 0.664 121.042 120.400 -0.037 0.000 2.665 577 K HA 0.134 4.454 4.320 -0.001 0.000 0.214 577 K C 0.284 176.835 176.600 -0.081 0.000 1.032 577 K CA -0.031 56.225 56.287 -0.051 0.000 1.198 577 K CB -0.030 32.461 32.500 -0.016 0.000 0.941 577 K HN 0.336 nan 8.250 nan 0.000 0.491 578 K N 1.780 122.087 120.400 -0.156 0.000 2.143 578 K HA 0.077 4.397 4.320 -0.001 0.000 0.272 578 K C 0.248 176.751 176.600 -0.161 0.000 1.001 578 K CA -0.320 55.862 56.287 -0.175 0.000 0.915 578 K CB 1.069 33.382 32.500 -0.312 0.000 1.047 578 K HN 0.088 nan 8.250 nan 0.000 0.458 579 T N 0.162 114.648 114.554 -0.114 0.000 2.828 579 T HA 0.223 4.573 4.350 -0.001 0.000 0.290 579 T C 1.333 175.973 174.700 -0.101 0.000 1.019 579 T CA -0.095 61.949 62.100 -0.093 0.000 1.031 579 T CB 1.400 70.230 68.868 -0.063 0.000 1.001 579 T HN 0.565 nan 8.240 nan 0.000 0.531 580 A N 1.306 124.079 122.820 -0.078 0.000 1.986 580 A HA 0.109 4.429 4.320 -0.001 0.000 0.220 580 A C 2.568 180.122 177.584 -0.050 0.000 1.171 580 A CA 2.006 54.005 52.037 -0.063 0.000 0.640 580 A CB -1.443 17.534 19.000 -0.039 0.000 0.811 580 A HN 1.260 nan 8.150 nan 0.000 0.451 581 A N -1.342 121.451 122.820 -0.045 0.000 1.984 581 A HA -0.018 4.302 4.320 -0.001 0.000 0.214 581 A C 2.049 179.608 177.584 -0.041 0.000 1.173 581 A CA 1.099 53.116 52.037 -0.034 0.000 0.673 581 A CB -0.357 18.627 19.000 -0.028 0.000 0.830 581 A HN 0.598 nan 8.150 nan 0.000 0.453 582 Q N -0.381 119.387 119.800 -0.055 0.000 2.124 582 Q HA -0.118 4.222 4.340 -0.001 0.000 0.202 582 Q C 2.359 178.325 176.000 -0.057 0.000 0.977 582 Q CA 1.349 57.119 55.803 -0.056 0.000 0.850 582 Q CB -0.316 28.383 28.738 -0.065 0.000 0.901 582 Q HN 0.685 nan 8.270 nan 0.000 0.429 583 A N 0.959 123.726 122.820 -0.089 0.000 1.872 583 A HA -0.114 4.206 4.320 -0.001 0.000 0.214 583 A C 1.961 179.538 177.584 -0.012 0.000 1.187 583 A CA 0.850 52.838 52.037 -0.082 0.000 0.614 583 A CB -0.486 18.419 19.000 -0.159 0.000 0.826 583 A HN 0.280 nan 8.150 nan 0.000 0.442 584 I N 0.296 120.854 120.570 -0.020 0.000 2.700 584 I HA -0.208 3.961 4.170 -0.001 0.000 0.261 584 I C 1.883 177.997 176.117 -0.004 0.000 1.219 584 I CA 0.826 62.122 61.300 -0.006 0.000 1.463 584 I CB -0.686 37.312 38.000 -0.003 0.000 1.092 584 I HN 0.324 nan 8.210 nan 0.000 0.452 585 N N 1.008 119.700 118.700 -0.014 0.000 2.051 585 N HA -0.186 4.554 4.740 -0.001 0.000 0.192 585 N C 1.786 177.284 175.510 -0.021 0.000 1.049 585 N CA 1.157 54.192 53.050 -0.024 0.000 0.845 585 N CB -0.453 38.010 38.487 -0.040 0.000 1.031 585 N HN 0.343 nan 8.380 nan 0.000 0.425 586 Q N 0.728 120.528 119.800 0.001 0.000 1.967 586 Q HA -0.166 4.174 4.340 -0.001 0.000 0.210 586 Q C 2.046 178.082 176.000 0.059 0.000 1.005 586 Q CA 1.588 57.412 55.803 0.036 0.000 0.862 586 Q CB -0.016 28.802 28.738 0.134 0.000 0.939 586 Q HN 0.201 nan 8.270 nan 0.000 0.417 587 R N 0.172 120.720 120.500 0.080 0.000 2.165 587 R HA -0.196 4.144 4.340 -0.001 0.000 0.254 587 R C 1.809 178.136 176.300 0.046 0.000 1.153 587 R CA 1.720 57.859 56.100 0.064 0.000 0.971 587 R CB -0.774 29.544 30.300 0.029 0.000 0.878 587 R HN 0.429 nan 8.270 nan 0.000 0.449 588 N N 0.278 118.996 118.700 0.031 0.000 2.309 588 N HA -0.092 4.647 4.740 -0.001 0.000 0.182 588 N C 1.792 177.330 175.510 0.047 0.000 1.018 588 N CA 0.830 53.899 53.050 0.031 0.000 0.876 588 N CB -0.124 38.373 38.487 0.017 0.000 0.972 588 N HN 0.277 nan 8.380 nan 0.000 0.434 589 R N -0.009 120.514 120.500 0.038 0.000 2.062 589 R HA -0.042 4.298 4.340 -0.001 0.000 0.226 589 R C 2.312 178.731 176.300 0.198 0.000 1.125 589 R CA 1.648 57.792 56.100 0.075 0.000 0.966 589 R CB -0.568 29.662 30.300 -0.117 0.000 0.861 589 R HN 0.352 nan 8.270 nan 0.000 0.433 590 T N -1.058 113.591 114.554 0.158 0.000 2.759 590 T HA -0.208 4.142 4.350 -0.001 0.000 0.269 590 T C 1.746 176.512 174.700 0.110 0.000 1.042 590 T CA 1.588 63.781 62.100 0.155 0.000 1.140 590 T CB -0.176 68.766 68.868 0.124 0.000 0.864 590 T HN 0.313 nan 8.240 nan 0.000 0.455 591 E N 0.522 120.775 120.200 0.088 0.000 2.265 591 E HA -0.110 4.239 4.350 -0.001 0.000 0.196 591 E C 2.435 179.074 176.600 0.065 0.000 0.996 591 E CA 0.702 57.141 56.400 0.064 0.000 0.832 591 E CB -0.008 29.725 29.700 0.054 0.000 0.756 591 E HN 0.552 nan 8.360 nan 0.000 0.491 592 R N -0.416 120.135 120.500 0.085 0.000 2.210 592 R HA 0.105 4.444 4.340 -0.001 0.000 0.203 592 R C 2.265 178.598 176.300 0.054 0.000 1.010 592 R CA 0.086 56.231 56.100 0.074 0.000 1.008 592 R CB 0.105 30.462 30.300 0.094 0.000 0.923 592 R HN 0.237 nan 8.270 nan 0.000 0.469 593 L N 0.946 122.204 121.223 0.058 0.000 2.131 593 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 593 L C 2.555 179.440 176.870 0.026 0.000 1.092 593 L CA 1.459 56.307 54.840 0.015 0.000 0.759 593 L CB -0.598 41.477 42.059 0.026 0.000 0.903 593 L HN 0.315 nan 8.230 nan 0.000 0.435 594 S N -0.214 115.507 115.700 0.034 0.000 2.378 594 S HA -0.314 4.156 4.470 -0.001 0.000 0.229 594 S C 1.598 176.216 174.600 0.029 0.000 1.052 594 S CA 1.979 60.193 58.200 0.024 0.000 1.084 594 S CB -0.545 62.666 63.200 0.019 0.000 0.950 594 S HN 0.447 nan 8.310 nan 0.000 0.440 595 D N 1.137 121.556 120.400 0.032 0.000 2.350 595 D HA 0.043 4.683 4.640 -0.001 0.000 0.216 595 D C 1.836 178.155 176.300 0.031 0.000 0.968 595 D CA 0.577 54.597 54.000 0.034 0.000 0.894 595 D CB -0.196 40.624 40.800 0.033 0.000 0.909 595 D HN 0.433 nan 8.370 nan 0.000 0.520 596 L N 0.096 121.337 121.223 0.029 0.000 2.275 596 L HA -0.060 4.280 4.340 -0.001 0.000 0.215 596 L C 1.950 178.859 176.870 0.066 0.000 1.119 596 L CA 0.600 55.463 54.840 0.038 0.000 0.790 596 L CB -0.007 42.062 42.059 0.017 0.000 0.919 596 L HN 0.045 nan 8.230 nan 0.000 0.443 597 L N -1.301 119.955 121.223 0.056 0.000 2.640 597 L HA 0.102 4.441 4.340 -0.001 0.000 0.230 597 L C 0.497 177.319 176.870 -0.079 0.000 1.123 597 L CA -0.353 54.510 54.840 0.039 0.000 0.900 597 L CB 0.077 42.193 42.059 0.095 0.000 1.146 597 L HN 0.108 nan 8.230 nan 0.000 0.484 598 D N -1.116 119.263 120.400 -0.035 0.000 2.368 598 D HA -0.080 4.560 4.640 -0.001 0.000 0.240 598 D C 0.786 177.039 176.300 -0.077 0.000 1.169 598 D CA 0.221 54.199 54.000 -0.036 0.000 0.906 598 D CB 0.698 41.527 40.800 0.048 0.000 1.187 598 D HN -0.004 nan 8.370 nan 0.000 0.435 599 W N 0.908 122.212 121.300 0.006 0.000 2.374 599 W HA -0.058 4.602 4.660 -0.001 0.000 0.288 599 W C 2.176 178.672 176.519 -0.038 0.000 1.218 599 W CA 0.216 57.533 57.345 -0.045 0.000 1.245 599 W CB -0.006 29.401 29.460 -0.088 0.000 1.126 599 W HN 0.450 nan 8.180 nan 0.000 0.545 600 K N -0.077 120.441 120.400 0.197 0.000 2.228 600 K HA -0.243 4.077 4.320 -0.001 0.000 0.205 600 K C 2.037 178.693 176.600 0.093 0.000 1.045 600 K CA 1.562 57.916 56.287 0.113 0.000 0.931 600 K CB -0.169 32.375 32.500 0.074 0.000 0.727 600 K HN 0.111 nan 8.250 nan 0.000 0.458 601 R N -0.635 119.917 120.500 0.087 0.000 2.191 601 R HA 0.138 4.478 4.340 -0.001 0.000 0.196 601 R C 1.845 178.199 176.300 0.090 0.000 0.991 601 R CA 0.233 56.378 56.100 0.076 0.000 1.075 601 R CB 0.288 30.624 30.300 0.060 0.000 1.040 601 R HN 0.079 nan 8.270 nan 0.000 0.526 602 M N -0.064 119.573 119.600 0.062 0.000 2.419 602 M HA 0.066 4.546 4.480 -0.001 0.000 0.264 602 M C 2.006 178.436 176.300 0.216 0.000 1.082 602 M CA 1.154 56.470 55.300 0.027 0.000 1.119 602 M CB -0.399 32.031 32.600 -0.284 0.000 1.398 602 M HN 0.267 nan 8.290 nan 0.000 0.453 603 G N 0.726 109.716 108.800 0.317 0.000 2.470 603 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.220 603 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.220 603 G C 1.561 176.597 174.900 0.227 0.000 1.121 603 G CA 0.226 45.492 45.100 0.278 0.000 0.766 603 G HN 0.404 nan 8.290 nan 0.000 0.553 604 L N 0.140 121.473 121.223 0.184 0.000 2.376 604 L HA 0.050 4.389 4.340 -0.001 0.000 0.219 604 L C 2.444 179.421 176.870 0.178 0.000 1.133 604 L CA 0.443 55.375 54.840 0.153 0.000 0.816 604 L CB -0.190 41.935 42.059 0.110 0.000 0.933 604 L HN 0.089 nan 8.230 nan 0.000 0.449 605 E N -0.341 119.991 120.200 0.221 0.000 2.216 605 E HA -0.127 4.222 4.350 -0.001 0.000 0.192 605 E C 2.007 178.748 176.600 0.234 0.000 0.988 605 E CA 1.050 57.568 56.400 0.197 0.000 0.834 605 E CB -0.103 29.699 29.700 0.170 0.000 0.772 605 E HN 0.538 nan 8.360 nan 0.000 0.479 606 Y N 0.051 120.424 120.300 0.122 0.000 2.220 606 Y HA -0.148 4.401 4.550 -0.000 0.000 0.291 606 Y C 2.404 178.384 175.900 0.134 0.000 1.129 606 Y CA 0.506 58.693 58.100 0.145 0.000 1.161 606 Y CB 0.068 38.622 38.460 0.157 0.000 0.997 606 Y HN -0.148 nan 8.280 nan 0.000 0.522 607 V N 0.463 120.548 119.914 0.286 0.000 2.343 607 V HA -0.334 3.786 4.120 -0.001 0.000 0.247 607 V C 2.016 178.202 176.094 0.153 0.000 1.051 607 V CA 1.900 64.329 62.300 0.215 0.000 1.036 607 V CB -0.518 31.405 31.823 0.167 0.000 0.654 607 V HN 0.373 nan 8.190 nan 0.000 0.451 608 K N 0.179 120.653 120.400 0.124 0.000 2.103 608 K HA -0.172 4.147 4.320 -0.001 0.000 0.207 608 K C 2.284 178.905 176.600 0.035 0.000 1.048 608 K CA 1.541 57.875 56.287 0.078 0.000 0.930 608 K CB -0.394 32.144 32.500 0.064 0.000 0.716 608 K HN 0.506 nan 8.250 nan 0.000 0.444 609 A N 1.697 124.526 122.820 0.016 0.000 1.855 609 A HA -0.148 4.172 4.320 -0.001 0.000 0.215 609 A C 2.085 179.632 177.584 -0.063 0.000 1.191 609 A CA 1.170 53.169 52.037 -0.063 0.000 0.613 609 A CB -0.366 18.546 19.000 -0.148 0.000 0.829 609 A HN 0.192 nan 8.150 nan 0.000 0.442 610 R N -0.480 120.021 120.500 0.002 0.000 2.073 610 R HA -0.140 4.199 4.340 -0.001 0.000 0.234 610 R C 2.456 178.750 176.300 -0.010 0.000 1.134 610 R CA 1.607 57.711 56.100 0.008 0.000 0.952 610 R CB -0.406 29.976 30.300 0.138 0.000 0.850 610 R HN 0.628 nan 8.270 nan 0.000 0.433 611 Q N 0.473 120.303 119.800 0.050 0.000 2.119 611 Q HA -0.136 4.204 4.340 -0.001 0.000 0.201 611 Q C 2.222 178.179 176.000 -0.071 0.000 0.972 611 Q CA 0.919 56.770 55.803 0.080 0.000 0.847 611 Q CB -0.130 28.725 28.738 0.195 0.000 0.903 611 Q HN 0.200 nan 8.270 nan 0.000 0.433 612 L N 0.756 121.924 121.223 -0.092 0.000 2.131 612 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 612 L C 2.134 178.881 176.870 -0.205 0.000 1.092 612 L CA 1.896 56.631 54.840 -0.174 0.000 0.759 612 L CB -0.597 41.395 42.059 -0.110 0.000 0.903 612 L HN 0.083 nan 8.230 nan 0.000 0.435 613 A N -0.688 122.038 122.820 -0.156 0.000 1.969 613 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 613 A C 2.217 179.675 177.584 -0.210 0.000 1.169 613 A CA 1.808 53.748 52.037 -0.161 0.000 0.635 613 A CB -0.696 18.228 19.000 -0.127 0.000 0.810 613 A HN 0.507 nan 8.150 nan 0.000 0.445 614 L N -1.184 119.926 121.223 -0.187 0.000 2.023 614 L HA -0.133 4.206 4.340 -0.001 0.000 0.205 614 L C 2.701 179.409 176.870 -0.271 0.000 1.073 614 L CA 1.613 56.365 54.840 -0.147 0.000 0.745 614 L CB -0.490 41.619 42.059 0.083 0.000 0.900 614 L HN 0.421 nan 8.230 nan 0.000 0.435 615 R N 0.731 120.824 120.500 -0.679 0.000 2.139 615 R HA -0.177 4.163 4.340 -0.001 0.000 0.243 615 R C 2.169 178.213 176.300 -0.428 0.000 1.145 615 R CA 1.577 57.062 56.100 -1.025 0.000 0.976 615 R CB -0.304 29.096 30.300 -1.499 0.000 0.866 615 R HN 0.230 nan 8.270 nan 0.000 0.449 616 R N -1.306 118.997 120.500 -0.328 0.000 2.200 616 R HA 0.117 4.457 4.340 -0.001 0.000 0.208 616 R C 2.041 178.206 176.300 -0.225 0.000 1.033 616 R CA 0.935 56.903 56.100 -0.220 0.000 1.000 616 R CB 0.017 30.212 30.300 -0.177 0.000 0.906 616 R HN 0.461 nan 8.270 nan 0.000 0.462 617 G N -0.724 107.865 108.800 -0.351 0.000 2.459 617 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.213 617 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.213 617 G C 0.428 174.999 174.900 -0.549 0.000 1.155 617 G CA 0.199 44.957 45.100 -0.569 0.000 0.811 617 G HN 0.274 nan 8.290 nan 0.000 0.534 618 Y N 0.178 120.489 120.300 0.019 0.000 2.470 618 Y HA 0.292 4.841 4.550 -0.001 0.000 0.352 618 Y C -1.746 174.204 175.900 0.084 0.000 0.967 618 Y CA -1.953 56.182 58.100 0.059 0.000 1.121 618 Y CB 1.763 40.278 38.460 0.092 0.000 1.149 618 Y HN 0.068 nan 8.280 nan 0.000 0.641 619 P HA -0.178 nan 4.420 nan 0.000 0.217 619 P C 0.849 178.249 177.300 0.166 0.000 1.148 619 P CA 1.687 64.849 63.100 0.103 0.000 0.828 619 P CB 0.481 32.209 31.700 0.047 0.000 0.783 620 D N -0.746 119.748 120.400 0.157 0.000 2.085 620 D HA -0.110 4.530 4.640 -0.001 0.000 0.199 620 D C 2.101 178.489 176.300 0.146 0.000 0.981 620 D CA 1.054 55.131 54.000 0.129 0.000 0.834 620 D CB -0.702 40.154 40.800 0.094 0.000 0.992 620 D HN 0.283 nan 8.370 nan 0.000 0.457 621 Q N -0.303 119.596 119.800 0.166 0.000 2.234 621 Q HA -0.162 4.178 4.340 -0.001 0.000 0.206 621 Q C 2.085 178.181 176.000 0.161 0.000 0.980 621 Q CA 0.748 56.631 55.803 0.133 0.000 0.869 621 Q CB -0.248 28.554 28.738 0.106 0.000 0.912 621 Q HN 0.277 nan 8.270 nan 0.000 0.436 622 F N 1.445 121.452 119.950 0.095 0.000 2.146 622 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 622 F C 2.622 178.454 175.800 0.054 0.000 1.096 622 F CA 1.330 59.377 58.000 0.078 0.000 1.275 622 F CB 0.037 39.081 39.000 0.074 0.000 1.008 622 F HN -0.112 nan 8.300 nan 0.000 0.480 623 R N 0.495 121.119 120.500 0.206 0.000 2.103 623 R HA -0.187 4.153 4.340 -0.001 0.000 0.242 623 R C 2.167 178.479 176.300 0.021 0.000 1.142 623 R CA 1.977 58.144 56.100 0.111 0.000 0.960 623 R CB -0.303 30.062 30.300 0.107 0.000 0.858 623 R HN 0.284 nan 8.270 nan 0.000 0.439 624 E N 0.529 120.738 120.200 0.015 0.000 2.058 624 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 624 E C 2.037 178.605 176.600 -0.054 0.000 0.997 624 E CA 1.015 57.409 56.400 -0.011 0.000 0.801 624 E CB -0.389 29.311 29.700 0.000 0.000 0.746 624 E HN 0.317 nan 8.360 nan 0.000 0.450 625 L N 0.535 121.692 121.223 -0.111 0.000 2.291 625 L HA -0.090 4.250 4.340 -0.001 0.000 0.214 625 L C 2.076 178.830 176.870 -0.192 0.000 1.120 625 L CA 0.787 55.528 54.840 -0.165 0.000 0.799 625 L CB 0.276 42.190 42.059 -0.243 0.000 0.925 625 L HN -0.098 nan 8.230 nan 0.000 0.446 626 V N -1.553 118.241 119.914 -0.200 0.000 3.379 626 V HA 0.377 4.497 4.120 -0.001 0.000 0.249 626 V C 1.607 177.669 176.094 -0.053 0.000 1.184 626 V CA 0.745 62.959 62.300 -0.144 0.000 1.106 626 V CB 0.205 31.939 31.823 -0.148 0.000 0.826 626 V HN 0.512 nan 8.190 nan 0.000 0.465 627 G N 1.283 110.063 108.800 -0.033 0.000 2.157 627 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.239 627 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.239 627 G C 0.094 175.001 174.900 0.011 0.000 0.982 627 G CA 0.487 45.582 45.100 -0.008 0.000 0.650 627 G HN 0.687 nan 8.290 nan 0.000 0.527 628 E N -0.925 119.290 120.200 0.026 0.000 2.281 628 E HA 0.489 4.838 4.350 -0.001 0.000 0.255 628 E C -0.996 175.647 176.600 0.072 0.000 1.229 628 E CA -0.661 55.764 56.400 0.043 0.000 0.908 628 E CB 0.158 29.881 29.700 0.040 0.000 1.670 628 E HN 0.495 nan 8.360 nan 0.000 0.480 629 E N 1.541 121.785 120.200 0.073 0.000 2.145 629 E HA 0.508 4.858 4.350 -0.001 0.000 0.262 629 E C -0.760 175.894 176.600 0.089 0.000 0.883 629 E CA -0.731 55.726 56.400 0.095 0.000 0.748 629 E CB 1.242 30.985 29.700 0.072 0.000 1.140 629 E HN 0.331 nan 8.360 nan 0.000 0.417 630 L N 2.534 123.832 121.223 0.125 0.000 2.399 630 L HA 0.302 4.641 4.340 -0.001 0.000 0.265 630 L C 0.594 177.497 176.870 0.055 0.000 1.089 630 L CA -1.087 53.814 54.840 0.101 0.000 0.802 630 L CB 0.815 42.968 42.059 0.157 0.000 1.180 630 L HN 0.610 nan 8.230 nan 0.000 0.454 631 N N 1.256 119.977 118.700 0.035 0.000 2.518 631 N HA -0.013 4.727 4.740 -0.001 0.000 0.266 631 N C -0.532 174.967 175.510 -0.019 0.000 1.196 631 N CA -0.110 52.946 53.050 0.010 0.000 0.947 631 N CB 0.692 39.187 38.487 0.013 0.000 1.098 631 N HN 0.578 nan 8.380 nan 0.000 0.450 632 D N 0.103 120.482 120.400 -0.036 0.000 2.788 632 D HA 0.138 4.777 4.640 -0.001 0.000 0.289 632 D C -0.174 176.096 176.300 -0.049 0.000 1.340 632 D CA -0.326 53.633 54.000 -0.069 0.000 0.831 632 D CB -0.577 40.161 40.800 -0.104 0.000 1.103 632 D HN 0.342 nan 8.370 nan 0.000 0.476 633 S N -0.832 114.852 115.700 -0.027 0.000 2.514 633 S HA 0.199 4.669 4.470 -0.001 0.000 0.223 633 S C 0.711 175.305 174.600 -0.009 0.000 1.046 633 S CA -0.229 57.962 58.200 -0.014 0.000 0.914 633 S CB 0.177 63.375 63.200 -0.003 0.000 0.807 633 S HN 0.166 nan 8.310 nan 0.000 0.497 634 N N 0.620 119.313 118.700 -0.011 0.000 2.761 634 N HA 0.483 5.222 4.740 -0.001 0.000 0.283 634 N C 0.349 175.849 175.510 -0.017 0.000 1.377 634 N CA -0.673 52.372 53.050 -0.010 0.000 0.791 634 N CB 0.763 39.251 38.487 0.003 0.000 1.540 634 N HN 0.048 nan 8.380 nan 0.000 0.539 635 M N -0.445 119.146 119.600 -0.016 0.000 2.388 635 M HA 0.079 4.559 4.480 -0.001 0.000 0.265 635 M C 0.149 176.456 176.300 0.012 0.000 1.088 635 M CA 0.984 56.278 55.300 -0.010 0.000 1.134 635 M CB -0.096 32.494 32.600 -0.017 0.000 1.384 635 M HN 0.301 nan 8.290 nan 0.000 0.447 636 D N 1.304 121.713 120.400 0.015 0.000 2.162 636 D HA 0.056 4.696 4.640 -0.001 0.000 0.203 636 D C 2.176 178.491 176.300 0.024 0.000 0.967 636 D CA 1.223 55.238 54.000 0.025 0.000 0.840 636 D CB -0.046 40.770 40.800 0.027 0.000 0.972 636 D HN 0.285 nan 8.370 nan 0.000 0.482 637 A N 0.583 123.413 122.820 0.017 0.000 1.978 637 A HA -0.165 4.155 4.320 -0.001 0.000 0.220 637 A C 2.103 179.700 177.584 0.021 0.000 1.170 637 A CA 1.016 53.062 52.037 0.016 0.000 0.636 637 A CB -0.545 18.460 19.000 0.008 0.000 0.810 637 A HN 0.241 nan 8.150 nan 0.000 0.448 638 L N -0.937 120.298 121.223 0.019 0.000 2.007 638 L HA 0.266 4.606 4.340 -0.001 0.000 0.205 638 L C 1.620 178.526 176.870 0.061 0.000 1.073 638 L CA 1.649 56.510 54.840 0.034 0.000 0.744 638 L CB -0.644 41.425 42.059 0.018 0.000 0.898 638 L HN 0.371 nan 8.230 nan 0.000 0.435 639 A N 0.000 122.854 122.820 0.057 0.000 2.254 639 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 639 A CA 0.000 52.074 52.037 0.061 0.000 0.836 639 A CB 0.000 19.040 19.000 0.066 0.000 0.831 639 A HN 0.000 nan 8.150 nan 0.000 0.486