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 1s5j_1_A DATA FIRST_RESID 40 DATA SEQUENCE EWLEEAQENK IYFLLQVDYD GKKGKAVCKL FDKETQKIYA LYDNTGHKPY DATA SEQUENCE FLVDLEPDKV GKIPKIVRDP SFDHIETVSK IDPYTWNKFK LTKIVVRDPL DATA SEQUENCE AVRRLRNDVP KAYEAHIKYF NNYMYDIGLI PGMPYVVKNG KLESVYLSLD DATA SEQUENCE EKDVEEIKKA FADSDEMTRQ MAVDWLPIFE TEIPKIKRVA IDIEVYTPVK DATA SEQUENCE GRIPDSQKAE FPIISIALAG SDGLKKVLVL NRNDVNEGSV KLDGISVERF DATA SEQUENCE NTEYELLGRF FDILLEYPIV LTFNGDDFDL PYIYFRALKL GYFPEEIPID DATA SEQUENCE VAGKDEAKYL AGLHIDLYKF FFNKAVRNYA FEGKYNEYNL DAVAKALLGT DATA SEQUENCE SXXKVDTLIS FLDVEKLIEY NFRDAEITLQ LTTFNNDLTM KLIVLFSRIS DATA SEQUENCE RLGIEELTRT EISTWVKNLY YWEHRKRNWL IPLKEEILAK SSNXXXXXXX DATA SEQUENCE XXXXXXXAVV IDPPAGIFFN ITVLDFASLY PSIIRTWNLS YETVDIQQcK DATA SEQUENCE KPYEVKDETG EVLHIVcMDR PGITAVITGL LRDFRVKIYK KKAKNPNNSE DATA SEQUENCE EQKLLYDVVQ RAMKVFINAT YGVFGAETFP LYAPRVAESV TALGRYVITS DATA SEQUENCE TVKKAREEGL TVLYGDTDSL FLLNPPKNSL ENIIKWVKTT FNLDLEVDKT DATA SEQUENCE YKFVAFSXXX XNYFGVYQDG KVDIKGMLVX XXXXXXXVKK VFNEVKELMI DATA SEQUENCE SINSPNDVKE IKRKIVDVVK GSYEKLKXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXIDA DATA SEQUENCE EKYLEALRST FEQILRAFGV SWDEI 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 40 E HA 0.000 nan 4.350 nan 0.000 0.291 40 E C 0.000 176.479 176.600 -0.202 0.000 1.382 40 E CA 0.000 56.303 56.400 -0.163 0.000 0.976 40 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 41 W N 0.675 121.939 121.300 -0.059 0.000 2.364 41 W HA 0.193 4.854 4.660 0.002 0.000 0.281 41 W C 0.569 177.021 176.519 -0.112 0.000 1.219 41 W CA 0.255 57.545 57.345 -0.093 0.000 1.220 41 W CB -0.043 29.335 29.460 -0.136 0.000 1.127 41 W HN 0.111 nan 8.180 nan 0.000 0.556 42 L N 0.947 122.228 121.223 0.098 0.000 2.307 42 L HA 0.301 4.642 4.340 0.002 0.000 0.284 42 L C 0.314 177.204 176.870 0.033 0.000 1.023 42 L CA -0.828 54.015 54.840 0.006 0.000 0.810 42 L CB 1.242 43.283 42.059 -0.030 0.000 1.231 42 L HN -0.165 nan 8.230 nan 0.000 0.423 43 E N 1.586 121.805 120.200 0.032 0.000 2.349 43 E HA 0.185 4.537 4.350 0.002 0.000 0.262 43 E C -0.653 176.065 176.600 0.197 0.000 1.088 43 E CA -0.532 55.947 56.400 0.131 0.000 0.899 43 E CB 1.375 31.198 29.700 0.206 0.000 1.044 43 E HN 0.451 nan 8.360 nan 0.000 0.420 44 E N 0.445 120.747 120.200 0.169 0.000 2.354 44 E HA 0.293 4.645 4.350 0.002 0.000 0.269 44 E C -0.888 175.751 176.600 0.066 0.000 1.036 44 E CA -0.489 55.982 56.400 0.119 0.000 0.876 44 E CB 0.869 30.648 29.700 0.133 0.000 1.009 44 E HN 0.521 nan 8.360 nan 0.000 0.416 45 A N 3.690 126.469 122.820 -0.069 0.000 2.425 45 A HA 0.111 4.433 4.320 0.002 0.000 0.242 45 A C -0.259 177.298 177.584 -0.047 0.000 1.077 45 A CA -0.126 51.773 52.037 -0.229 0.000 0.781 45 A CB 0.452 19.131 19.000 -0.535 0.000 1.020 45 A HN 0.652 nan 8.150 nan 0.000 0.494 46 Q N 0.212 120.049 119.800 0.061 0.000 2.226 46 Q HA 0.337 4.678 4.340 0.002 0.000 0.256 46 Q C -0.699 175.350 176.000 0.082 0.000 0.962 46 Q CA -0.866 54.969 55.803 0.054 0.000 0.887 46 Q CB 1.335 30.080 28.738 0.012 0.000 1.282 46 Q HN 0.750 nan 8.270 nan 0.000 0.449 47 E N 1.848 122.073 120.200 0.042 0.000 2.493 47 E HA -0.139 4.212 4.350 0.002 0.000 0.255 47 E C -0.268 176.345 176.600 0.023 0.000 0.999 47 E CA 0.899 57.321 56.400 0.036 0.000 0.934 47 E CB -0.211 29.503 29.700 0.022 0.000 0.940 47 E HN 0.729 nan 8.360 nan 0.000 0.473 48 N N 2.831 121.549 118.700 0.029 0.000 2.780 48 N HA -0.203 4.538 4.740 0.002 0.000 0.248 48 N C -0.964 174.519 175.510 -0.044 0.000 1.102 48 N CA 0.407 53.457 53.050 -0.000 0.000 0.697 48 N CB -0.371 38.111 38.487 -0.008 0.000 1.028 48 N HN 0.412 nan 8.380 nan 0.000 0.554 49 K N 0.438 120.802 120.400 -0.060 0.000 2.238 49 K HA 0.567 4.888 4.320 0.002 0.000 0.239 49 K C -0.217 176.200 176.600 -0.304 0.000 0.987 49 K CA -0.635 55.508 56.287 -0.240 0.000 0.857 49 K CB 1.446 33.701 32.500 -0.408 0.000 1.154 49 K HN 0.099 nan 8.250 nan 0.000 0.439 50 I N 2.202 122.494 120.570 -0.463 0.000 2.404 50 I HA 0.327 4.499 4.170 0.002 0.000 0.293 50 I C -1.095 174.734 176.117 -0.480 0.000 0.992 50 I CA -0.634 60.476 61.300 -0.317 0.000 1.149 50 I CB 0.839 38.710 38.000 -0.215 0.000 1.315 50 I HN 0.463 nan 8.210 nan 0.000 0.446 51 Y N 4.351 124.627 120.300 -0.040 0.000 2.609 51 Y HA 0.487 5.038 4.550 0.002 0.000 0.342 51 Y C -0.749 175.174 175.900 0.039 0.000 1.058 51 Y CA -0.848 57.278 58.100 0.045 0.000 1.055 51 Y CB 1.514 40.020 38.460 0.077 0.000 1.292 51 Y HN 0.243 nan 8.280 nan 0.000 0.476 52 F N 2.227 122.405 119.950 0.381 0.000 2.411 52 F HA 0.360 4.888 4.527 0.002 0.000 0.355 52 F C -0.059 175.915 175.800 0.289 0.000 1.117 52 F CA -0.545 57.646 58.000 0.318 0.000 1.139 52 F CB 0.896 40.084 39.000 0.312 0.000 1.120 52 F HN 0.231 nan 8.300 nan 0.000 0.493 53 L N 5.069 126.531 121.223 0.399 0.000 2.416 53 L HA 0.204 4.546 4.340 0.002 0.000 0.272 53 L C -0.110 176.869 176.870 0.182 0.000 1.161 53 L CA 0.582 55.556 54.840 0.223 0.000 0.845 53 L CB 0.416 42.547 42.059 0.120 0.000 1.119 53 L HN 0.742 nan 8.230 nan 0.000 0.464 54 L N 3.340 124.617 121.223 0.089 0.000 2.730 54 L HA 0.294 4.635 4.340 0.002 0.000 0.236 54 L C -0.022 176.828 176.870 -0.033 0.000 1.061 54 L CA 0.031 54.884 54.840 0.022 0.000 0.898 54 L CB 0.141 42.204 42.059 0.006 0.000 1.270 54 L HN 0.848 nan 8.230 nan 0.000 0.500 55 Q N -0.363 119.410 119.800 -0.044 0.000 2.959 55 Q HA 0.407 4.749 4.340 0.002 0.000 0.288 55 Q C -1.517 174.424 176.000 -0.098 0.000 0.911 55 Q CA -0.743 55.010 55.803 -0.083 0.000 0.800 55 Q CB 2.309 30.966 28.738 -0.134 0.000 1.645 55 Q HN -0.154 nan 8.270 nan 0.000 0.454 56 V N -0.594 119.254 119.914 -0.111 0.000 2.680 56 V HA 0.758 4.880 4.120 0.002 0.000 0.309 56 V C -1.447 174.508 176.094 -0.232 0.000 1.052 56 V CA -0.111 62.120 62.300 -0.115 0.000 0.908 56 V CB 1.920 33.739 31.823 -0.007 0.000 1.001 56 V HN 0.867 nan 8.190 nan 0.000 0.431 57 D N 2.305 122.596 120.400 -0.182 0.000 2.553 57 D HA 0.415 5.056 4.640 0.002 0.000 0.249 57 D C -1.756 174.608 176.300 0.107 0.000 1.062 57 D CA -0.064 53.838 54.000 -0.164 0.000 1.085 57 D CB 2.215 42.920 40.800 -0.158 0.000 1.350 57 D HN 0.738 nan 8.370 nan 0.000 0.575 58 Y N 0.678 121.043 120.300 0.107 0.000 2.352 58 Y HA 0.240 4.791 4.550 0.002 0.000 0.339 58 Y C -0.818 175.144 175.900 0.104 0.000 0.992 58 Y CA -0.722 57.471 58.100 0.155 0.000 1.100 58 Y CB 1.345 39.976 38.460 0.284 0.000 1.192 58 Y HN 0.062 nan 8.280 nan 0.000 0.458 59 D N 4.007 124.056 120.400 -0.585 0.000 2.412 59 D HA 0.214 4.855 4.640 0.002 0.000 0.224 59 D C 0.896 176.656 176.300 -0.900 0.000 1.093 59 D CA 0.289 54.006 54.000 -0.471 0.000 0.850 59 D CB 1.595 42.303 40.800 -0.154 0.000 1.046 59 D HN 1.014 nan 8.370 nan 0.000 0.507 60 G N 3.965 112.446 108.800 -0.533 0.000 2.422 60 G HA2 -0.270 3.691 3.960 0.002 0.000 0.218 60 G HA3 -0.270 3.691 3.960 0.002 0.000 0.218 60 G C 1.440 176.249 174.900 -0.151 0.000 1.146 60 G CA 0.587 45.552 45.100 -0.225 0.000 0.769 60 G HN 0.463 nan 8.290 nan 0.000 0.547 61 K N 0.393 120.710 120.400 -0.138 0.000 1.985 61 K HA -0.059 4.262 4.320 0.002 0.000 0.210 61 K C 2.361 178.884 176.600 -0.128 0.000 1.047 61 K CA 1.386 57.612 56.287 -0.102 0.000 0.932 61 K CB -0.147 32.301 32.500 -0.088 0.000 0.716 61 K HN 0.168 nan 8.250 nan 0.000 0.439 62 K N -0.742 119.549 120.400 -0.182 0.000 2.432 62 K HA 0.025 4.347 4.320 0.002 0.000 0.196 62 K C 0.542 177.059 176.600 -0.139 0.000 1.038 62 K CA 0.572 56.746 56.287 -0.188 0.000 0.986 62 K CB 0.248 32.569 32.500 -0.298 0.000 0.782 62 K HN 0.492 nan 8.250 nan 0.000 0.485 63 G N 2.531 111.223 108.800 -0.180 0.000 2.338 63 G HA2 -0.292 3.669 3.960 0.002 0.000 0.296 63 G HA3 -0.292 3.669 3.960 0.002 0.000 0.296 63 G C -0.577 174.355 174.900 0.054 0.000 1.040 63 G CA 0.571 45.637 45.100 -0.056 0.000 1.004 63 G HN 0.271 nan 8.290 nan 0.000 0.509 64 K N -0.895 119.473 120.400 -0.053 0.000 2.532 64 K HA 0.729 5.050 4.320 0.002 0.000 0.265 64 K C 0.152 176.814 176.600 0.103 0.000 0.948 64 K CA -0.467 55.888 56.287 0.113 0.000 0.842 64 K CB 2.024 34.575 32.500 0.085 0.000 1.392 64 K HN 0.628 nan 8.250 nan 0.000 0.436 65 A N 1.270 124.104 122.820 0.023 0.000 2.425 65 A HA 0.459 4.780 4.320 0.002 0.000 0.249 65 A C -0.329 177.103 177.584 -0.254 0.000 1.084 65 A CA -0.311 51.575 52.037 -0.252 0.000 0.781 65 A CB 0.266 18.613 19.000 -1.088 0.000 1.019 65 A HN 0.337 nan 8.150 nan 0.000 0.490 66 V N 1.644 121.428 119.914 -0.217 0.000 2.444 66 V HA 0.258 4.379 4.120 0.002 0.000 0.294 66 V C -0.162 175.775 176.094 -0.261 0.000 1.022 66 V CA -0.826 61.295 62.300 -0.299 0.000 0.850 66 V CB 0.924 32.548 31.823 -0.331 0.000 0.992 66 V HN 0.971 nan 8.190 nan 0.000 0.426 67 C N 5.381 124.533 119.300 -0.248 0.000 2.514 67 C HA 0.412 4.873 4.460 0.002 0.000 0.392 67 C C 0.588 175.456 174.990 -0.203 0.000 1.294 67 C CA -0.994 57.918 59.018 -0.177 0.000 1.957 67 C CB -0.114 27.543 27.740 -0.138 0.000 2.541 67 C HN 0.687 nan 8.230 nan 0.000 0.569 68 K N 4.212 124.526 120.400 -0.144 0.000 2.264 68 K HA 0.491 4.813 4.320 0.002 0.000 0.277 68 K C -0.752 175.827 176.600 -0.034 0.000 1.067 68 K CA 0.156 56.377 56.287 -0.110 0.000 0.900 68 K CB 0.758 33.200 32.500 -0.096 0.000 1.124 68 K HN 0.632 nan 8.250 nan 0.000 0.469 69 L N 3.853 125.055 121.223 -0.036 0.000 2.313 69 L HA 0.435 4.776 4.340 0.002 0.000 0.283 69 L C -0.197 176.837 176.870 0.274 0.000 1.013 69 L CA -1.128 53.738 54.840 0.043 0.000 0.816 69 L CB 0.851 42.719 42.059 -0.318 0.000 1.236 69 L HN 0.377 nan 8.230 nan 0.000 0.419 70 F N 3.231 123.339 119.950 0.264 0.000 2.404 70 F HA 0.321 4.849 4.527 0.002 0.000 0.345 70 F C 0.028 176.111 175.800 0.472 0.000 1.110 70 F CA -0.389 57.798 58.000 0.310 0.000 1.130 70 F CB 0.898 40.028 39.000 0.216 0.000 1.129 70 F HN 0.376 nan 8.300 nan 0.000 0.500 71 D N 5.721 125.898 120.400 -0.372 0.000 2.414 71 D HA 0.160 4.801 4.640 0.002 0.000 0.232 71 D C 0.680 176.424 176.300 -0.927 0.000 1.070 71 D CA -0.481 53.306 54.000 -0.355 0.000 0.839 71 D CB 1.315 42.156 40.800 0.068 0.000 1.079 71 D HN 0.730 nan 8.370 nan 0.000 0.521 72 K N 2.952 122.986 120.400 -0.609 0.000 2.097 72 K HA -0.141 4.181 4.320 0.002 0.000 0.206 72 K C 1.353 177.868 176.600 -0.142 0.000 1.049 72 K CA 0.772 56.894 56.287 -0.275 0.000 0.933 72 K CB 0.173 32.744 32.500 0.118 0.000 0.717 72 K HN 0.371 nan 8.250 nan 0.000 0.442 73 E N 0.812 120.940 120.200 -0.119 0.000 2.021 73 E HA -0.187 4.165 4.350 0.002 0.000 0.200 73 E C 2.023 178.592 176.600 -0.052 0.000 1.015 73 E CA 2.430 58.789 56.400 -0.068 0.000 0.824 73 E CB -0.110 29.547 29.700 -0.072 0.000 0.762 73 E HN 0.655 nan 8.360 nan 0.000 0.454 74 T N -1.583 112.944 114.554 -0.045 0.000 3.088 74 T HA -0.040 4.312 4.350 0.002 0.000 0.259 74 T C 0.589 175.272 174.700 -0.028 0.000 1.122 74 T CA 0.147 62.247 62.100 -0.000 0.000 1.095 74 T CB 0.272 69.200 68.868 0.100 0.000 0.930 74 T HN 0.065 nan 8.240 nan 0.000 0.508 75 Q N 0.606 120.351 119.800 -0.092 0.000 2.452 75 Q HA -0.128 4.213 4.340 0.002 0.000 0.318 75 Q C -0.636 175.372 176.000 0.014 0.000 1.386 75 Q CA 1.048 56.837 55.803 -0.023 0.000 0.872 75 Q CB -1.468 27.305 28.738 0.058 0.000 1.151 75 Q HN 0.718 nan 8.270 nan 0.000 0.417 76 K N -0.435 119.923 120.400 -0.070 0.000 2.480 76 K HA 0.705 5.026 4.320 0.002 0.000 0.258 76 K C -0.241 176.275 176.600 -0.139 0.000 0.990 76 K CA -0.916 55.297 56.287 -0.124 0.000 0.857 76 K CB 1.518 33.831 32.500 -0.312 0.000 1.384 76 K HN 0.035 nan 8.250 nan 0.000 0.446 77 I N 2.150 122.573 120.570 -0.246 0.000 2.404 77 I HA 0.362 4.534 4.170 0.002 0.000 0.293 77 I C -1.090 174.765 176.117 -0.435 0.000 0.992 77 I CA -0.627 60.581 61.300 -0.153 0.000 1.149 77 I CB 0.835 38.815 38.000 -0.033 0.000 1.315 77 I HN 0.450 nan 8.210 nan 0.000 0.446 78 Y N 3.817 124.063 120.300 -0.090 0.000 2.630 78 Y HA 0.802 5.353 4.550 0.002 0.000 0.337 78 Y C 0.183 175.931 175.900 -0.253 0.000 1.051 78 Y CA -1.133 56.868 58.100 -0.164 0.000 1.121 78 Y CB 1.534 39.856 38.460 -0.229 0.000 1.299 78 Y HN 0.487 nan 8.280 nan 0.000 0.498 79 A N 1.410 124.162 122.820 -0.114 0.000 2.331 79 A HA 0.724 5.045 4.320 0.002 0.000 0.320 79 A C -1.945 175.392 177.584 -0.410 0.000 1.138 79 A CA -0.590 51.238 52.037 -0.348 0.000 0.790 79 A CB 0.975 19.683 19.000 -0.486 0.000 1.206 79 A HN 0.624 nan 8.150 nan 0.000 0.470 80 L N 2.714 123.670 121.223 -0.446 0.000 2.325 80 L HA 0.628 4.969 4.340 0.002 0.000 0.281 80 L C -1.496 175.139 176.870 -0.392 0.000 1.004 80 L CA -0.297 54.350 54.840 -0.320 0.000 0.823 80 L CB 0.765 42.707 42.059 -0.196 0.000 1.236 80 L HN 0.633 nan 8.230 nan 0.000 0.415 81 Y N 2.026 122.295 120.300 -0.053 0.000 2.310 81 Y HA 0.282 4.833 4.550 0.002 0.000 0.326 81 Y C 0.407 176.291 175.900 -0.026 0.000 1.151 81 Y CA -0.540 57.524 58.100 -0.060 0.000 1.195 81 Y CB 0.680 39.106 38.460 -0.056 0.000 1.210 81 Y HN 0.630 nan 8.280 nan 0.000 0.483 82 D N 2.410 122.867 120.400 0.094 0.000 2.472 82 D HA -0.099 4.543 4.640 0.002 0.000 0.248 82 D C 0.536 176.931 176.300 0.160 0.000 1.174 82 D CA 0.246 54.325 54.000 0.131 0.000 0.883 82 D CB 0.487 41.335 40.800 0.080 0.000 1.149 82 D HN 0.631 nan 8.370 nan 0.000 0.488 83 N N 1.898 120.691 118.700 0.154 0.000 2.214 83 N HA -0.000 4.741 4.740 0.002 0.000 0.214 83 N C -0.217 175.365 175.510 0.120 0.000 1.132 83 N CA -0.312 52.809 53.050 0.118 0.000 0.856 83 N CB -0.057 38.482 38.487 0.088 0.000 1.020 83 N HN 0.389 nan 8.380 nan 0.000 0.509 84 T N -4.471 110.185 114.554 0.169 0.000 2.852 84 T HA 0.502 4.854 4.350 0.002 0.000 0.281 84 T C 1.340 176.135 174.700 0.158 0.000 0.993 84 T CA -0.223 61.966 62.100 0.148 0.000 0.933 84 T CB 0.822 69.789 68.868 0.166 0.000 1.187 84 T HN 0.046 nan 8.240 nan 0.000 0.559 85 G N -0.834 108.036 108.800 0.117 0.000 3.061 85 G HA2 0.008 3.970 3.960 0.002 0.000 0.208 85 G HA3 0.008 3.970 3.960 0.002 0.000 0.208 85 G C 0.556 175.576 174.900 0.201 0.000 1.175 85 G CA -0.110 45.058 45.100 0.113 0.000 0.812 85 G HN 0.854 nan 8.290 nan 0.000 0.523 86 H N 0.976 120.177 119.070 0.220 0.000 2.929 86 H HA 0.354 4.911 4.556 0.002 0.000 0.317 86 H C -0.087 175.452 175.328 0.352 0.000 1.031 86 H CA 0.562 56.802 56.048 0.320 0.000 1.466 86 H CB 0.563 30.617 29.762 0.487 0.000 1.482 86 H HN 0.105 nan 8.280 nan 0.000 0.561 87 K N 5.245 126.082 120.400 0.728 0.000 2.443 87 K HA 0.388 4.710 4.320 0.002 0.000 0.251 87 K C -2.563 174.314 176.600 0.462 0.000 0.972 87 K CA -1.957 54.582 56.287 0.420 0.000 0.833 87 K CB 1.853 34.490 32.500 0.228 0.000 1.317 87 K HN 0.402 nan 8.250 nan 0.000 0.441 88 P HA 0.036 nan 4.420 nan 0.000 0.269 88 P C -1.532 175.898 177.300 0.217 0.000 1.209 88 P CA 0.128 63.154 63.100 -0.124 0.000 0.776 88 P CB 0.173 31.539 31.700 -0.557 0.000 0.876 89 Y N 0.465 120.870 120.300 0.175 0.000 2.677 89 Y HA 0.745 5.296 4.550 0.003 0.000 0.334 89 Y C -1.605 174.471 175.900 0.294 0.000 1.196 89 Y CA -1.652 56.545 58.100 0.163 0.000 1.059 89 Y CB 0.627 39.130 38.460 0.073 0.000 1.315 89 Y HN 0.385 nan 8.280 nan 0.000 0.455 90 F N 0.033 120.132 119.950 0.248 0.000 2.650 90 F HA 0.896 5.424 4.527 0.003 0.000 0.320 90 F C -2.044 173.933 175.800 0.294 0.000 1.091 90 F CA -1.979 56.144 58.000 0.205 0.000 0.962 90 F CB 1.350 40.407 39.000 0.095 0.000 1.363 90 F HN 0.548 nan 8.300 nan 0.000 0.482 91 L N 2.571 124.022 121.223 0.381 0.000 2.331 91 L HA 0.870 5.212 4.340 0.002 0.000 0.275 91 L C -0.670 176.410 176.870 0.351 0.000 1.022 91 L CA -1.417 53.578 54.840 0.258 0.000 0.812 91 L CB 1.893 44.118 42.059 0.276 0.000 1.257 91 L HN 0.756 nan 8.230 nan 0.000 0.435 92 V N -1.871 118.181 119.914 0.229 0.000 2.841 92 V HA 0.404 4.525 4.120 0.002 0.000 0.310 92 V C -0.829 175.410 176.094 0.242 0.000 1.090 92 V CA -0.710 61.764 62.300 0.290 0.000 0.930 92 V CB 2.030 33.966 31.823 0.189 0.000 1.014 92 V HN 0.732 nan 8.190 nan 0.000 0.425 93 D N 3.392 123.982 120.400 0.317 0.000 3.134 93 D HA 0.412 5.053 4.640 0.002 0.000 0.248 93 D C 0.017 176.410 176.300 0.155 0.000 1.273 93 D CA 0.201 54.339 54.000 0.230 0.000 0.904 93 D CB -0.409 40.560 40.800 0.282 0.000 1.089 93 D HN 0.657 nan 8.370 nan 0.000 0.478 94 L N -0.730 120.564 121.223 0.118 0.000 2.464 94 L HA 0.548 4.889 4.340 0.002 0.000 0.264 94 L C 0.786 177.691 176.870 0.059 0.000 1.062 94 L CA -1.192 53.696 54.840 0.079 0.000 0.935 94 L CB 0.792 42.891 42.059 0.067 0.000 1.603 94 L HN -0.092 nan 8.230 nan 0.000 0.528 95 E N 0.126 120.351 120.200 0.041 0.000 2.214 95 E HA 0.244 4.595 4.350 0.002 0.000 0.274 95 E C -1.881 174.731 176.600 0.020 0.000 0.977 95 E CA -1.732 54.686 56.400 0.029 0.000 0.827 95 E CB 1.897 31.613 29.700 0.025 0.000 1.130 95 E HN 0.206 nan 8.360 nan 0.000 0.394 96 P HA -0.172 nan 4.420 nan 0.000 0.216 96 P C 0.282 177.590 177.300 0.014 0.000 1.154 96 P CA 1.389 64.495 63.100 0.011 0.000 0.865 96 P CB 0.349 32.054 31.700 0.008 0.000 0.789 97 D N -1.053 119.355 120.400 0.013 0.000 2.178 97 D HA -0.132 4.510 4.640 0.002 0.000 0.202 97 D C 1.888 178.191 176.300 0.005 0.000 0.974 97 D CA 1.076 55.082 54.000 0.011 0.000 0.841 97 D CB -0.457 40.350 40.800 0.011 0.000 0.953 97 D HN 0.204 nan 8.370 nan 0.000 0.478 98 K N 0.426 120.831 120.400 0.009 0.000 2.062 98 K HA -0.063 4.258 4.320 0.002 0.000 0.205 98 K C 1.784 178.384 176.600 -0.000 0.000 1.051 98 K CA 0.642 56.933 56.287 0.007 0.000 0.941 98 K CB 0.025 32.535 32.500 0.016 0.000 0.719 98 K HN -0.074 nan 8.250 nan 0.000 0.440 99 V N 0.763 120.678 119.914 0.001 0.000 2.407 99 V HA -0.167 3.954 4.120 0.002 0.000 0.248 99 V C 2.270 178.335 176.094 -0.048 0.000 1.055 99 V CA 2.072 64.365 62.300 -0.012 0.000 1.049 99 V CB -0.767 31.054 31.823 -0.004 0.000 0.662 99 V HN 0.608 nan 8.190 nan 0.000 0.455 100 G N -0.582 108.196 108.800 -0.036 0.000 2.559 100 G HA2 -0.174 3.787 3.960 0.002 0.000 0.216 100 G HA3 -0.174 3.787 3.960 0.002 0.000 0.216 100 G C 1.408 176.271 174.900 -0.063 0.000 1.126 100 G CA 0.267 45.333 45.100 -0.057 0.000 0.778 100 G HN 0.501 nan 8.290 nan 0.000 0.543 101 K N -0.231 120.143 120.400 -0.043 0.000 2.372 101 K HA 0.283 4.604 4.320 0.002 0.000 0.200 101 K C -0.036 176.539 176.600 -0.041 0.000 1.022 101 K CA -0.207 56.058 56.287 -0.036 0.000 1.125 101 K CB 0.587 33.076 32.500 -0.018 0.000 0.855 101 K HN 0.278 nan 8.250 nan 0.000 0.524 102 I N 3.776 124.311 120.570 -0.058 0.000 2.282 102 I HA 0.081 4.253 4.170 0.002 0.000 0.290 102 I C -1.529 174.534 176.117 -0.089 0.000 1.090 102 I CA -1.869 59.398 61.300 -0.055 0.000 1.231 102 I CB 1.029 39.007 38.000 -0.037 0.000 1.434 102 I HN -0.130 nan 8.210 nan 0.000 0.487 103 P HA -0.091 nan 4.420 nan 0.000 0.226 103 P C 0.859 178.114 177.300 -0.076 0.000 1.153 103 P CA 0.964 64.016 63.100 -0.079 0.000 0.777 103 P CB 0.264 31.936 31.700 -0.047 0.000 0.794 104 K N -0.333 120.034 120.400 -0.056 0.000 2.167 104 K HA 0.064 4.385 4.320 0.002 0.000 0.203 104 K C 2.144 178.719 176.600 -0.042 0.000 1.052 104 K CA 0.887 57.154 56.287 -0.034 0.000 0.956 104 K CB -0.757 31.736 32.500 -0.013 0.000 0.735 104 K HN 0.196 nan 8.250 nan 0.000 0.451 105 I N -0.382 120.138 120.570 -0.084 0.000 2.339 105 I HA -0.168 4.004 4.170 0.002 0.000 0.245 105 I C 1.883 177.761 176.117 -0.398 0.000 1.096 105 I CA 0.684 61.907 61.300 -0.129 0.000 1.408 105 I CB -0.004 37.932 38.000 -0.107 0.000 1.092 105 I HN -0.118 nan 8.210 nan 0.000 0.423 106 V N 0.748 120.352 119.914 -0.517 0.000 2.548 106 V HA -0.146 3.975 4.120 0.002 0.000 0.249 106 V C 2.157 178.036 176.094 -0.357 0.000 1.055 106 V CA 1.632 63.443 62.300 -0.814 0.000 1.065 106 V CB -0.542 30.987 31.823 -0.490 0.000 0.681 106 V HN 0.327 nan 8.190 nan 0.000 0.462 107 R N -0.440 119.966 120.500 -0.156 0.000 2.334 107 R HA 0.096 4.437 4.340 0.002 0.000 0.216 107 R C 0.615 176.931 176.300 0.027 0.000 0.905 107 R CA -0.173 55.909 56.100 -0.030 0.000 1.064 107 R CB 0.077 30.362 30.300 -0.024 0.000 1.046 107 R HN 0.455 nan 8.270 nan 0.000 0.508 108 D N 1.564 121.988 120.400 0.040 0.000 2.424 108 D HA -0.003 4.638 4.640 0.002 0.000 0.244 108 D C -1.340 175.044 176.300 0.140 0.000 1.134 108 D CA -1.521 52.533 54.000 0.090 0.000 0.881 108 D CB 1.514 42.381 40.800 0.111 0.000 1.191 108 D HN -0.026 nan 8.370 nan 0.000 0.445 109 P HA -0.102 nan 4.420 nan 0.000 0.218 109 P C 0.883 178.243 177.300 0.100 0.000 1.148 109 P CA 0.709 63.863 63.100 0.090 0.000 0.822 109 P CB 0.255 31.990 31.700 0.058 0.000 0.784 110 S N -0.914 114.850 115.700 0.105 0.000 2.607 110 S HA 0.033 4.505 4.470 0.002 0.000 0.224 110 S C 0.489 175.168 174.600 0.133 0.000 0.969 110 S CA -0.368 57.889 58.200 0.094 0.000 0.927 110 S CB -0.998 62.247 63.200 0.074 0.000 0.772 110 S HN 0.108 nan 8.310 nan 0.000 0.533 111 F N 3.223 123.201 119.950 0.047 0.000 2.506 111 F HA 0.210 4.738 4.527 0.001 0.000 0.371 111 F C 0.964 176.803 175.800 0.065 0.000 1.078 111 F CA -0.801 57.232 58.000 0.056 0.000 1.195 111 F CB 0.467 39.495 39.000 0.048 0.000 1.099 111 F HN -0.052 nan 8.300 nan 0.000 0.548 112 D N 3.604 123.565 120.400 -0.732 0.000 2.628 112 D HA 0.014 4.656 4.640 0.002 0.000 0.258 112 D C -0.095 175.746 176.300 -0.765 0.000 1.165 112 D CA 1.259 54.945 54.000 -0.523 0.000 0.991 112 D CB 0.221 40.938 40.800 -0.138 0.000 1.104 112 D HN 0.695 nan 8.370 nan 0.000 0.438 113 H N -1.668 116.850 119.070 -0.920 0.000 2.967 113 H HA 0.405 4.962 4.556 0.001 0.000 0.318 113 H C -1.424 173.783 175.328 -0.202 0.000 1.375 113 H CA -0.873 54.848 56.048 -0.545 0.000 1.132 113 H CB 0.078 29.691 29.762 -0.248 0.000 1.848 113 H HN 0.017 nan 8.280 nan 0.000 0.524 114 I N 1.264 121.756 120.570 -0.129 0.000 2.441 114 I HA 0.323 4.494 4.170 0.002 0.000 0.295 114 I C 0.064 176.048 176.117 -0.223 0.000 0.994 114 I CA -0.196 61.015 61.300 -0.148 0.000 1.144 114 I CB 1.763 39.795 38.000 0.053 0.000 1.314 114 I HN 0.503 nan 8.210 nan 0.000 0.445 115 E N 2.776 122.814 120.200 -0.271 0.000 2.404 115 E HA 0.613 4.965 4.350 0.002 0.000 0.264 115 E C -1.174 175.345 176.600 -0.135 0.000 0.946 115 E CA -0.950 55.337 56.400 -0.190 0.000 0.806 115 E CB 2.170 31.721 29.700 -0.249 0.000 1.334 115 E HN 0.375 nan 8.360 nan 0.000 0.429 116 T N 1.089 115.578 114.554 -0.108 0.000 2.841 116 T HA 0.447 4.798 4.350 0.002 0.000 0.285 116 T C -0.668 173.965 174.700 -0.112 0.000 0.991 116 T CA -0.671 61.374 62.100 -0.092 0.000 0.966 116 T CB 1.050 69.884 68.868 -0.057 0.000 0.962 116 T HN 0.348 nan 8.240 nan 0.000 0.438 117 V N 0.751 120.587 119.914 -0.130 0.000 3.103 117 V HA 0.921 5.043 4.120 0.002 0.000 0.318 117 V C -0.124 175.869 176.094 -0.168 0.000 1.114 117 V CA -0.818 61.392 62.300 -0.149 0.000 1.020 117 V CB 2.096 33.813 31.823 -0.176 0.000 1.085 117 V HN 0.732 nan 8.190 nan 0.000 0.446 118 S N 1.164 116.753 115.700 -0.184 0.000 2.578 118 S HA 0.767 5.238 4.470 0.002 0.000 0.301 118 S C -0.698 173.715 174.600 -0.312 0.000 1.091 118 S CA -0.837 57.209 58.200 -0.257 0.000 1.032 118 S CB 1.314 64.408 63.200 -0.177 0.000 1.064 118 S HN 0.778 nan 8.310 nan 0.000 0.508 119 K N 1.348 121.429 120.400 -0.532 0.000 2.512 119 K HA 0.492 4.813 4.320 0.002 0.000 0.263 119 K C -1.225 175.143 176.600 -0.386 0.000 0.966 119 K CA -0.732 55.285 56.287 -0.449 0.000 0.851 119 K CB 1.397 33.587 32.500 -0.516 0.000 1.395 119 K HN 0.389 nan 8.250 nan 0.000 0.440 120 I N 1.417 121.921 120.570 -0.110 0.000 2.396 120 I HA 0.117 4.288 4.170 0.002 0.000 0.292 120 I C 0.414 176.540 176.117 0.015 0.000 0.999 120 I CA -0.551 60.719 61.300 -0.050 0.000 1.310 120 I CB 0.703 38.627 38.000 -0.126 0.000 1.404 120 I HN 0.441 nan 8.210 nan 0.000 0.496 121 D N 8.617 129.121 120.400 0.174 0.000 2.325 121 D HA 0.200 4.842 4.640 0.002 0.000 0.251 121 D C -1.732 174.471 176.300 -0.162 0.000 1.196 121 D CA -2.003 52.100 54.000 0.171 0.000 0.866 121 D CB 1.677 42.579 40.800 0.170 0.000 1.101 121 D HN 0.175 nan 8.370 nan 0.000 0.476 122 P HA -0.143 nan 4.420 nan 0.000 0.219 122 P C 0.770 177.823 177.300 -0.412 0.000 1.146 122 P CA 1.135 63.748 63.100 -0.811 0.000 0.808 122 P CB 0.032 31.436 31.700 -0.493 0.000 0.779 123 Y N -0.184 120.048 120.300 -0.112 0.000 2.220 123 Y HA -0.113 4.438 4.550 0.002 0.000 0.291 123 Y C 2.414 178.252 175.900 -0.104 0.000 1.129 123 Y CA 1.981 60.028 58.100 -0.087 0.000 1.161 123 Y CB -1.238 37.196 38.460 -0.045 0.000 0.997 123 Y HN 0.093 nan 8.280 nan 0.000 0.522 124 T N -7.527 107.083 114.554 0.093 0.000 2.975 124 T HA 0.009 4.360 4.350 0.002 0.000 0.257 124 T C 0.129 174.881 174.700 0.086 0.000 1.003 124 T CA 0.197 62.307 62.100 0.016 0.000 0.932 124 T CB -0.207 68.681 68.868 0.035 0.000 1.087 124 T HN 0.369 nan 8.240 nan 0.000 0.512 125 W N 1.566 122.757 121.300 -0.181 0.000 3.520 125 W HA -0.163 4.498 4.660 0.002 0.000 0.305 125 W C -0.656 175.825 176.519 -0.064 0.000 1.150 125 W CA -0.636 56.601 57.345 -0.179 0.000 0.656 125 W CB -2.930 26.459 29.460 -0.117 0.000 2.198 125 W HN 0.285 nan 8.180 nan 0.000 1.417 126 N N 1.187 119.993 118.700 0.177 0.000 2.525 126 N HA 0.209 4.951 4.740 0.002 0.000 0.271 126 N C 0.399 176.022 175.510 0.189 0.000 1.194 126 N CA -0.182 52.959 53.050 0.152 0.000 0.964 126 N CB 0.649 39.207 38.487 0.119 0.000 1.126 126 N HN 0.082 nan 8.380 nan 0.000 0.452 127 K N 1.556 122.043 120.400 0.145 0.000 2.234 127 K HA 0.337 4.659 4.320 0.002 0.000 0.282 127 K C -0.892 175.823 176.600 0.191 0.000 1.039 127 K CA -0.332 56.013 56.287 0.097 0.000 0.928 127 K CB 0.385 32.903 32.500 0.029 0.000 1.039 127 K HN 0.476 nan 8.250 nan 0.000 0.470 128 F N 0.256 120.197 119.950 -0.015 0.000 2.692 128 F HA 0.565 5.093 4.527 0.002 0.000 0.320 128 F C -1.241 174.544 175.800 -0.025 0.000 1.123 128 F CA -1.308 56.681 58.000 -0.018 0.000 0.961 128 F CB 0.956 39.944 39.000 -0.021 0.000 1.383 128 F HN 0.186 nan 8.300 nan 0.000 0.483 129 K N 1.526 121.947 120.400 0.034 0.000 2.164 129 K HA 0.749 5.070 4.320 0.002 0.000 0.258 129 K C -1.383 175.230 176.600 0.021 0.000 0.951 129 K CA -0.689 55.557 56.287 -0.068 0.000 0.844 129 K CB 2.194 34.690 32.500 -0.007 0.000 1.099 129 K HN 0.607 nan 8.250 nan 0.000 0.435 130 L N 0.933 122.113 121.223 -0.070 0.000 2.354 130 L HA 0.423 4.764 4.340 0.002 0.000 0.264 130 L C 0.201 177.058 176.870 -0.022 0.000 1.008 130 L CA -0.967 53.875 54.840 0.003 0.000 0.819 130 L CB 2.274 44.318 42.059 -0.024 0.000 1.339 130 L HN 0.703 nan 8.230 nan 0.000 0.420 131 T N -0.252 114.305 114.554 0.005 0.000 2.922 131 T HA 0.377 4.728 4.350 0.002 0.000 0.285 131 T C -0.567 174.093 174.700 -0.067 0.000 1.005 131 T CA -0.578 61.501 62.100 -0.036 0.000 1.061 131 T CB 1.369 70.223 68.868 -0.022 0.000 1.007 131 T HN 0.619 nan 8.240 nan 0.000 0.502 132 K N 4.016 124.335 120.400 -0.134 0.000 2.502 132 K HA 0.489 4.810 4.320 0.002 0.000 0.254 132 K C -1.070 175.382 176.600 -0.246 0.000 0.947 132 K CA -0.810 55.368 56.287 -0.182 0.000 0.834 132 K CB 0.965 33.312 32.500 -0.253 0.000 1.112 132 K HN 0.702 nan 8.250 nan 0.000 0.427 133 I N 5.767 126.135 120.570 -0.336 0.000 2.291 133 I HA 0.118 4.289 4.170 0.002 0.000 0.290 133 I C 0.017 176.014 176.117 -0.200 0.000 1.050 133 I CA -0.967 60.133 61.300 -0.333 0.000 1.245 133 I CB 1.369 38.980 38.000 -0.648 0.000 1.405 133 I HN 0.367 nan 8.210 nan 0.000 0.478 134 V N 7.910 127.720 119.914 -0.173 0.000 2.439 134 V HA 0.709 4.831 4.120 0.002 0.000 0.282 134 V C -0.053 176.026 176.094 -0.026 0.000 1.039 134 V CA -0.221 62.052 62.300 -0.045 0.000 0.913 134 V CB 1.602 33.392 31.823 -0.055 0.000 0.983 134 V HN 0.509 nan 8.190 nan 0.000 0.460 135 V N 4.314 124.265 119.914 0.062 0.000 3.181 135 V HA 0.709 4.831 4.120 0.002 0.000 0.314 135 V C 0.936 177.037 176.094 0.011 0.000 1.173 135 V CA -0.927 61.403 62.300 0.049 0.000 1.052 135 V CB 1.860 33.758 31.823 0.125 0.000 1.123 135 V HN 0.822 nan 8.190 nan 0.000 0.454 136 R N 0.689 121.190 120.500 0.002 0.000 2.246 136 R HA 0.247 4.588 4.340 0.002 0.000 0.199 136 R C -0.481 175.796 176.300 -0.039 0.000 0.984 136 R CA 0.942 57.038 56.100 -0.007 0.000 1.015 136 R CB -0.261 30.045 30.300 0.011 0.000 0.930 136 R HN 1.062 nan 8.270 nan 0.000 0.475 137 D N -2.688 117.659 120.400 -0.087 0.000 2.655 137 D HA 0.200 4.841 4.640 0.002 0.000 0.229 137 D C -2.523 173.611 176.300 -0.277 0.000 1.229 137 D CA -1.777 52.127 54.000 -0.161 0.000 0.807 137 D CB 1.760 42.550 40.800 -0.018 0.000 1.514 137 D HN -0.385 nan 8.370 nan 0.000 0.444 138 P HA -0.122 nan 4.420 nan 0.000 0.217 138 P C 1.340 178.521 177.300 -0.199 0.000 1.148 138 P CA 0.442 63.315 63.100 -0.378 0.000 0.828 138 P CB 0.178 31.606 31.700 -0.454 0.000 0.783 139 L N -0.619 120.521 121.223 -0.137 0.000 2.156 139 L HA 0.021 4.362 4.340 0.002 0.000 0.208 139 L C 2.158 178.988 176.870 -0.067 0.000 1.095 139 L CA 1.580 56.371 54.840 -0.082 0.000 0.770 139 L CB -1.349 40.687 42.059 -0.038 0.000 0.914 139 L HN -0.130 nan 8.230 nan 0.000 0.439 140 A N -1.425 121.369 122.820 -0.044 0.000 2.015 140 A HA -0.091 4.230 4.320 0.002 0.000 0.219 140 A C 2.237 179.824 177.584 0.005 0.000 1.163 140 A CA 1.553 53.592 52.037 0.004 0.000 0.646 140 A CB -0.829 18.199 19.000 0.046 0.000 0.806 140 A HN 0.279 nan 8.150 nan 0.000 0.448 141 V N -0.079 119.810 119.914 -0.042 0.000 2.358 141 V HA -0.247 3.874 4.120 0.002 0.000 0.246 141 V C 2.616 178.543 176.094 -0.279 0.000 1.047 141 V CA 2.217 64.455 62.300 -0.103 0.000 1.035 141 V CB -0.704 31.067 31.823 -0.088 0.000 0.658 141 V HN 0.556 nan 8.190 nan 0.000 0.452 142 R N -0.396 119.975 120.500 -0.215 0.000 2.115 142 R HA -0.134 4.207 4.340 0.002 0.000 0.230 142 R C 2.476 178.666 176.300 -0.182 0.000 1.111 142 R CA 1.506 57.467 56.100 -0.231 0.000 0.976 142 R CB -0.318 29.881 30.300 -0.168 0.000 0.870 142 R HN 0.428 nan 8.270 nan 0.000 0.445 143 R N 0.772 121.201 120.500 -0.119 0.000 2.073 143 R HA -0.001 4.340 4.340 0.002 0.000 0.229 143 R C 1.768 178.025 176.300 -0.072 0.000 1.120 143 R CA 1.100 57.158 56.100 -0.071 0.000 0.967 143 R CB 0.040 30.324 30.300 -0.026 0.000 0.862 143 R HN 0.170 nan 8.270 nan 0.000 0.436 144 L N 1.170 122.349 121.223 -0.074 0.000 2.477 144 L HA 0.094 4.436 4.340 0.002 0.000 0.220 144 L C 2.209 179.001 176.870 -0.130 0.000 1.106 144 L CA 0.302 55.143 54.840 0.000 0.000 0.851 144 L CB -0.205 41.980 42.059 0.210 0.000 0.994 144 L HN 0.289 nan 8.230 nan 0.000 0.462 145 R N 0.581 120.803 120.500 -0.464 0.000 2.285 145 R HA -0.068 4.273 4.340 0.002 0.000 0.213 145 R C 0.788 176.951 176.300 -0.229 0.000 1.068 145 R CA 1.255 56.958 56.100 -0.662 0.000 1.004 145 R CB -0.497 29.339 30.300 -0.774 0.000 0.873 145 R HN 0.549 nan 8.270 nan 0.000 0.467 146 N N 0.321 118.945 118.700 -0.127 0.000 2.203 146 N HA 0.020 4.761 4.740 0.002 0.000 0.207 146 N C -0.408 175.094 175.510 -0.013 0.000 1.130 146 N CA -0.212 52.807 53.050 -0.052 0.000 0.861 146 N CB 0.496 38.956 38.487 -0.045 0.000 1.005 146 N HN 0.134 nan 8.380 nan 0.000 0.507 147 D N 1.205 121.610 120.400 0.009 0.000 2.319 147 D HA 0.128 4.770 4.640 0.002 0.000 0.230 147 D C -0.112 176.223 176.300 0.057 0.000 1.094 147 D CA 0.266 54.285 54.000 0.033 0.000 0.856 147 D CB 0.888 41.714 40.800 0.043 0.000 0.915 147 D HN 0.024 nan 8.370 nan 0.000 0.517 148 V N 0.659 120.615 119.914 0.070 0.000 2.841 148 V HA 0.154 4.276 4.120 0.002 0.000 0.310 148 V C -1.676 174.452 176.094 0.055 0.000 1.090 148 V CA -1.479 60.875 62.300 0.090 0.000 0.930 148 V CB 2.813 34.745 31.823 0.183 0.000 1.014 148 V HN -0.202 nan 8.190 nan 0.000 0.425 149 P HA -0.078 nan 4.420 nan 0.000 0.216 149 P C 0.008 177.304 177.300 -0.005 0.000 1.150 149 P CA 1.148 64.259 63.100 0.019 0.000 0.837 149 P CB 0.211 31.925 31.700 0.023 0.000 0.786 150 K N -0.928 119.468 120.400 -0.007 0.000 2.896 150 K HA 0.503 4.824 4.320 0.002 0.000 0.228 150 K C -1.389 175.114 176.600 -0.161 0.000 1.151 150 K CA -0.438 55.783 56.287 -0.109 0.000 1.035 150 K CB 0.681 33.110 32.500 -0.118 0.000 1.263 150 K HN -0.104 nan 8.250 nan 0.000 0.574 151 A N 3.103 125.877 122.820 -0.077 0.000 2.354 151 A HA 0.419 4.740 4.320 0.002 0.000 0.281 151 A C -0.991 176.579 177.584 -0.022 0.000 1.174 151 A CA -0.117 51.968 52.037 0.081 0.000 0.828 151 A CB -0.035 19.011 19.000 0.076 0.000 1.099 151 A HN 0.549 nan 8.150 nan 0.000 0.516 152 Y N 0.527 120.964 120.300 0.228 0.000 2.335 152 Y HA 0.344 4.895 4.550 0.002 0.000 0.323 152 Y C 1.020 177.035 175.900 0.192 0.000 1.224 152 Y CA -0.043 58.164 58.100 0.178 0.000 1.241 152 Y CB 0.736 39.298 38.460 0.170 0.000 1.235 152 Y HN 0.915 nan 8.280 nan 0.000 0.492 153 E N -0.034 120.333 120.200 0.278 0.000 2.269 153 E HA -0.281 4.071 4.350 0.002 0.000 0.223 153 E C 0.140 176.834 176.600 0.157 0.000 1.244 153 E CA 0.456 56.957 56.400 0.169 0.000 0.713 153 E CB -1.091 28.704 29.700 0.158 0.000 1.178 153 E HN 0.699 nan 8.360 nan 0.000 0.370 154 A N -0.311 122.599 122.820 0.151 0.000 2.431 154 A HA 0.096 4.417 4.320 0.002 0.000 0.239 154 A C 0.822 178.317 177.584 -0.149 0.000 1.230 154 A CA -0.194 51.841 52.037 -0.003 0.000 0.928 154 A CB 0.351 19.274 19.000 -0.129 0.000 1.006 154 A HN 0.426 nan 8.150 nan 0.000 0.520 155 H N -0.490 118.574 119.070 -0.011 0.000 2.581 155 H HA 0.341 4.899 4.556 0.002 0.000 0.275 155 H C -0.635 174.715 175.328 0.036 0.000 1.126 155 H CA -0.135 55.909 56.048 -0.007 0.000 1.097 155 H CB 0.486 30.250 29.762 0.003 0.000 1.626 155 H HN 0.337 nan 8.280 nan 0.000 0.565 156 I N 2.356 122.992 120.570 0.109 0.000 2.312 156 I HA 0.060 4.231 4.170 0.002 0.000 0.291 156 I C 0.339 176.397 176.117 -0.099 0.000 1.031 156 I CA -0.409 60.946 61.300 0.092 0.000 1.293 156 I CB 1.069 39.173 38.000 0.173 0.000 1.403 156 I HN -0.150 nan 8.210 nan 0.000 0.484 157 K N 4.774 125.051 120.400 -0.205 0.000 2.530 157 K HA -0.168 4.154 4.320 0.002 0.000 0.280 157 K C 0.719 176.991 176.600 -0.548 0.000 1.004 157 K CA 0.278 56.281 56.287 -0.473 0.000 1.071 157 K CB 0.389 32.404 32.500 -0.808 0.000 0.876 157 K HN 0.479 nan 8.250 nan 0.000 0.487 158 Y N 4.598 124.558 120.300 -0.567 0.000 2.193 158 Y HA -0.313 4.238 4.550 0.002 0.000 0.285 158 Y C 1.436 177.141 175.900 -0.325 0.000 1.166 158 Y CA 1.839 59.686 58.100 -0.422 0.000 1.181 158 Y CB -0.245 37.959 38.460 -0.426 0.000 0.976 158 Y HN 0.666 nan 8.280 nan 0.000 0.520 159 F N -1.107 118.668 119.950 -0.292 0.000 2.293 159 F HA -0.043 4.485 4.527 0.003 0.000 0.300 159 F C 1.910 177.546 175.800 -0.273 0.000 1.086 159 F CA 1.110 58.926 58.000 -0.306 0.000 1.375 159 F CB -1.313 37.614 39.000 -0.122 0.000 1.045 159 F HN -0.085 nan 8.300 nan 0.000 0.516 160 N N 1.104 119.632 118.700 -0.285 0.000 2.216 160 N HA -0.171 4.571 4.740 0.002 0.000 0.183 160 N C 1.529 176.511 175.510 -0.879 0.000 1.017 160 N CA 1.285 54.075 53.050 -0.433 0.000 0.861 160 N CB -0.639 37.614 38.487 -0.390 0.000 0.986 160 N HN 0.360 nan 8.380 nan 0.000 0.428 161 N N 0.340 118.658 118.700 -0.637 0.000 2.188 161 N HA -0.163 4.579 4.740 0.002 0.000 0.184 161 N C 1.667 177.019 175.510 -0.263 0.000 1.018 161 N CA 0.740 53.535 53.050 -0.426 0.000 0.858 161 N CB -0.228 38.128 38.487 -0.219 0.000 0.989 161 N HN 0.247 nan 8.380 nan 0.000 0.426 162 Y N 0.454 120.409 120.300 -0.575 0.000 2.145 162 Y HA -0.153 4.398 4.550 0.002 0.000 0.286 162 Y C 2.418 178.207 175.900 -0.185 0.000 1.145 162 Y CA 1.875 59.666 58.100 -0.514 0.000 1.148 162 Y CB -0.461 37.574 38.460 -0.708 0.000 0.981 162 Y HN 0.099 nan 8.280 nan 0.000 0.507 163 M N -1.083 118.457 119.600 -0.099 0.000 2.082 163 M HA -0.301 4.181 4.480 0.002 0.000 0.258 163 M C 1.825 178.161 176.300 0.060 0.000 1.069 163 M CA 1.984 57.286 55.300 0.004 0.000 1.102 163 M CB -0.506 32.160 32.600 0.110 0.000 1.336 163 M HN 0.357 nan 8.290 nan 0.000 0.404 164 Y N 0.322 120.617 120.300 -0.008 0.000 2.128 164 Y HA -0.260 4.291 4.550 0.002 0.000 0.284 164 Y C 2.390 178.111 175.900 -0.298 0.000 1.154 164 Y CA 1.264 59.235 58.100 -0.216 0.000 1.149 164 Y CB -1.421 37.006 38.460 -0.056 0.000 0.976 164 Y HN 0.307 nan 8.280 nan 0.000 0.505 165 D N -0.582 119.830 120.400 0.022 0.000 2.149 165 D HA -0.081 4.561 4.640 0.002 0.000 0.201 165 D C 2.146 178.369 176.300 -0.128 0.000 0.972 165 D CA 0.804 54.800 54.000 -0.008 0.000 0.835 165 D CB -0.070 40.849 40.800 0.200 0.000 0.966 165 D HN 0.173 nan 8.370 nan 0.000 0.476 166 I N 0.024 120.458 120.570 -0.226 0.000 2.761 166 I HA 0.024 4.196 4.170 0.002 0.000 0.261 166 I C 1.537 177.568 176.117 -0.143 0.000 1.198 166 I CA 0.805 61.962 61.300 -0.239 0.000 1.482 166 I CB -1.136 36.604 38.000 -0.434 0.000 1.100 166 I HN 0.087 nan 8.210 nan 0.000 0.445 167 G N 1.577 110.292 108.800 -0.142 0.000 2.171 167 G HA2 -0.232 3.729 3.960 0.002 0.000 0.238 167 G HA3 -0.232 3.729 3.960 0.002 0.000 0.238 167 G C 0.194 175.267 174.900 0.290 0.000 1.039 167 G CA -0.165 44.897 45.100 -0.063 0.000 0.759 167 G HN 0.298 nan 8.290 nan 0.000 0.501 168 L N -0.237 121.152 121.223 0.276 0.000 2.418 168 L HA 0.640 4.981 4.340 0.002 0.000 0.265 168 L C 0.879 177.937 176.870 0.315 0.000 1.143 168 L CA -0.596 54.372 54.840 0.214 0.000 0.809 168 L CB 1.159 43.230 42.059 0.020 0.000 1.124 168 L HN 0.100 nan 8.230 nan 0.000 0.456 169 I N 3.175 123.869 120.570 0.207 0.000 2.448 169 I HA 0.291 4.462 4.170 0.002 0.000 0.281 169 I C -2.373 173.795 176.117 0.085 0.000 1.027 169 I CA -1.982 59.336 61.300 0.031 0.000 1.111 169 I CB 2.012 39.955 38.000 -0.096 0.000 1.236 169 I HN 0.262 nan 8.210 nan 0.000 0.452 170 P HA 0.179 nan 4.420 nan 0.000 0.271 170 P C 0.804 178.110 177.300 0.010 0.000 1.218 170 P CA 0.445 63.560 63.100 0.026 0.000 0.780 170 P CB 0.794 32.477 31.700 -0.028 0.000 0.901 171 G N 0.605 109.451 108.800 0.078 0.000 2.141 171 G HA2 -0.180 3.781 3.960 0.002 0.000 0.242 171 G HA3 -0.180 3.781 3.960 0.002 0.000 0.242 171 G C -0.071 174.950 174.900 0.203 0.000 0.982 171 G CA -0.339 44.807 45.100 0.076 0.000 0.662 171 G HN 0.389 nan 8.290 nan 0.000 0.527 172 M N 0.444 120.186 119.600 0.236 0.000 2.591 172 M HA 0.486 4.967 4.480 0.002 0.000 0.306 172 M C -2.671 173.551 176.300 -0.129 0.000 1.190 172 M CA -2.511 52.829 55.300 0.067 0.000 0.889 172 M CB 1.982 34.517 32.600 -0.108 0.000 1.728 172 M HN -0.030 nan 8.290 nan 0.000 0.458 173 P HA 0.467 nan 4.420 nan 0.000 0.285 173 P C -1.767 175.133 177.300 -0.666 0.000 1.259 173 P CA -0.044 62.583 63.100 -0.788 0.000 0.794 173 P CB 0.654 31.728 31.700 -1.044 0.000 0.940 174 Y N 0.077 120.271 120.300 -0.176 0.000 2.581 174 Y HA 0.474 5.025 4.550 0.002 0.000 0.345 174 Y C -0.007 175.877 175.900 -0.027 0.000 1.036 174 Y CA -1.113 56.947 58.100 -0.066 0.000 1.042 174 Y CB 2.162 40.618 38.460 -0.007 0.000 1.289 174 Y HN 0.125 nan 8.280 nan 0.000 0.471 175 V N 2.560 122.563 119.914 0.149 0.000 2.547 175 V HA 0.565 4.686 4.120 0.002 0.000 0.299 175 V C -1.035 175.143 176.094 0.140 0.000 1.040 175 V CA -0.778 61.581 62.300 0.098 0.000 0.913 175 V CB 1.650 33.493 31.823 0.033 0.000 0.992 175 V HN 0.569 nan 8.190 nan 0.000 0.449 176 V N 7.420 127.419 119.914 0.141 0.000 2.389 176 V HA 0.390 4.511 4.120 0.002 0.000 0.264 176 V C 0.299 176.435 176.094 0.071 0.000 1.049 176 V CA -0.232 62.135 62.300 0.112 0.000 0.932 176 V CB 0.861 32.764 31.823 0.132 0.000 1.011 176 V HN 0.758 nan 8.190 nan 0.000 0.475 177 K N 4.567 125.003 120.400 0.060 0.000 2.450 177 K HA 0.313 4.635 4.320 0.002 0.000 0.257 177 K C -0.069 176.555 176.600 0.040 0.000 0.953 177 K CA -0.528 55.785 56.287 0.044 0.000 0.844 177 K CB 0.934 33.459 32.500 0.042 0.000 1.103 177 K HN 0.728 nan 8.250 nan 0.000 0.429 178 N N 2.449 121.169 118.700 0.033 0.000 2.727 178 N HA -0.208 4.533 4.740 0.002 0.000 0.249 178 N C 0.561 176.094 175.510 0.038 0.000 1.048 178 N CA 1.349 54.418 53.050 0.031 0.000 0.714 178 N CB -1.292 37.212 38.487 0.027 0.000 0.959 178 N HN 1.091 nan 8.380 nan 0.000 0.544 179 G N -1.455 107.370 108.800 0.041 0.000 2.175 179 G HA2 -0.383 3.578 3.960 0.002 0.000 0.265 179 G HA3 -0.383 3.578 3.960 0.002 0.000 0.265 179 G C 0.138 175.067 174.900 0.048 0.000 0.979 179 G CA 1.363 46.490 45.100 0.045 0.000 0.663 179 G HN 0.599 nan 8.290 nan 0.000 0.533 180 K N -0.830 119.598 120.400 0.047 0.000 2.295 180 K HA 0.758 5.079 4.320 0.002 0.000 0.239 180 K C 0.163 176.787 176.600 0.040 0.000 0.991 180 K CA -1.030 55.284 56.287 0.044 0.000 0.845 180 K CB 1.668 34.194 32.500 0.044 0.000 1.197 180 K HN 0.080 nan 8.250 nan 0.000 0.441 181 L N 2.411 123.641 121.223 0.012 0.000 2.276 181 L HA 0.281 4.623 4.340 0.002 0.000 0.286 181 L C -0.146 176.810 176.870 0.143 0.000 1.061 181 L CA -0.399 54.458 54.840 0.029 0.000 0.807 181 L CB 0.751 42.664 42.059 -0.243 0.000 1.177 181 L HN 0.438 nan 8.230 nan 0.000 0.429 182 E N 1.938 122.272 120.200 0.224 0.000 2.222 182 E HA 0.296 4.648 4.350 0.002 0.000 0.267 182 E C -0.579 176.151 176.600 0.217 0.000 0.884 182 E CA -0.474 56.048 56.400 0.204 0.000 0.764 182 E CB 2.122 31.883 29.700 0.101 0.000 1.169 182 E HN 0.584 nan 8.360 nan 0.000 0.413 183 S N 0.479 116.243 115.700 0.106 0.000 2.579 183 S HA 0.331 4.803 4.470 0.002 0.000 0.275 183 S C 0.699 175.216 174.600 -0.139 0.000 1.345 183 S CA -0.794 57.285 58.200 -0.200 0.000 1.031 183 S CB 0.737 63.813 63.200 -0.207 0.000 0.892 183 S HN 0.376 nan 8.310 nan 0.000 0.529 184 V N 0.457 120.242 119.914 -0.215 0.000 2.973 184 V HA 0.528 4.649 4.120 0.002 0.000 0.314 184 V C -0.212 175.846 176.094 -0.059 0.000 1.066 184 V CA -1.378 60.861 62.300 -0.102 0.000 1.021 184 V CB 0.454 32.200 31.823 -0.127 0.000 1.076 184 V HN 0.881 nan 8.190 nan 0.000 0.462 185 Y N 2.602 122.851 120.300 -0.086 0.000 2.632 185 Y HA 0.444 4.996 4.550 0.002 0.000 0.329 185 Y C -0.210 175.654 175.900 -0.060 0.000 1.174 185 Y CA -0.038 58.026 58.100 -0.059 0.000 1.469 185 Y CB 0.947 39.383 38.460 -0.040 0.000 1.242 185 Y HN 0.798 nan 8.280 nan 0.000 0.540 186 L N 6.131 127.027 121.223 -0.544 0.000 2.287 186 L HA 0.406 4.748 4.340 0.002 0.000 0.287 186 L C -0.416 176.186 176.870 -0.446 0.000 1.022 186 L CA 0.019 54.655 54.840 -0.339 0.000 0.814 186 L CB 1.480 43.394 42.059 -0.243 0.000 1.217 186 L HN 0.607 nan 8.230 nan 0.000 0.420 187 S N 5.877 121.546 115.700 -0.052 0.000 2.400 187 S HA 0.601 5.072 4.470 0.002 0.000 0.295 187 S C -0.419 174.208 174.600 0.044 0.000 1.113 187 S CA -0.421 57.842 58.200 0.104 0.000 1.064 187 S CB -0.392 62.935 63.200 0.212 0.000 0.990 187 S HN 0.522 nan 8.310 nan 0.000 0.502 188 L N 3.117 124.355 121.223 0.025 0.000 2.342 188 L HA 0.518 4.859 4.340 0.002 0.000 0.271 188 L C 0.028 176.938 176.870 0.067 0.000 1.008 188 L CA -1.182 53.689 54.840 0.051 0.000 0.818 188 L CB 1.397 43.477 42.059 0.034 0.000 1.296 188 L HN 0.381 nan 8.230 nan 0.000 0.427 189 D N 1.278 121.723 120.400 0.076 0.000 2.455 189 D HA -0.050 4.591 4.640 0.002 0.000 0.241 189 D C 0.830 177.164 176.300 0.057 0.000 1.138 189 D CA 0.278 54.318 54.000 0.066 0.000 0.877 189 D CB 1.721 42.561 40.800 0.067 0.000 1.187 189 D HN 0.568 nan 8.370 nan 0.000 0.451 190 E N 3.117 123.347 120.200 0.049 0.000 2.085 190 E HA -0.242 4.109 4.350 0.002 0.000 0.194 190 E C 1.547 178.168 176.600 0.036 0.000 0.994 190 E CA 1.744 58.170 56.400 0.042 0.000 0.801 190 E CB 0.157 29.879 29.700 0.037 0.000 0.743 190 E HN 0.359 nan 8.360 nan 0.000 0.453 191 K N 0.385 120.804 120.400 0.033 0.000 2.097 191 K HA -0.151 4.171 4.320 0.002 0.000 0.206 191 K C 1.682 178.295 176.600 0.021 0.000 1.049 191 K CA 1.609 57.910 56.287 0.023 0.000 0.933 191 K CB -0.647 31.865 32.500 0.020 0.000 0.717 191 K HN 0.148 nan 8.250 nan 0.000 0.442 192 D N 1.370 121.791 120.400 0.034 0.000 2.104 192 D HA -0.145 4.496 4.640 0.002 0.000 0.194 192 D C 1.914 178.241 176.300 0.045 0.000 0.994 192 D CA 1.149 55.170 54.000 0.034 0.000 0.830 192 D CB -0.203 40.640 40.800 0.071 0.000 0.959 192 D HN 0.082 nan 8.370 nan 0.000 0.452 193 V N 0.224 120.172 119.914 0.058 0.000 2.591 193 V HA -0.133 3.989 4.120 0.002 0.000 0.249 193 V C 1.800 177.930 176.094 0.059 0.000 1.053 193 V CA 1.577 63.920 62.300 0.072 0.000 1.068 193 V CB -0.119 31.743 31.823 0.064 0.000 0.689 193 V HN 0.108 nan 8.190 nan 0.000 0.462 194 E N -0.063 120.160 120.200 0.038 0.000 2.110 194 E HA -0.255 4.096 4.350 0.002 0.000 0.193 194 E C 2.185 178.794 176.600 0.015 0.000 0.988 194 E CA 1.491 57.906 56.400 0.025 0.000 0.804 194 E CB -0.152 29.557 29.700 0.015 0.000 0.745 194 E HN 0.784 nan 8.360 nan 0.000 0.458 195 E N 0.816 121.018 120.200 0.004 0.000 2.110 195 E HA -0.208 4.144 4.350 0.002 0.000 0.193 195 E C 1.962 178.550 176.600 -0.020 0.000 0.988 195 E CA 0.861 57.244 56.400 -0.027 0.000 0.804 195 E CB 0.070 29.739 29.700 -0.051 0.000 0.745 195 E HN 0.186 nan 8.360 nan 0.000 0.458 196 I N 1.542 122.139 120.570 0.046 0.000 2.202 196 I HA -0.207 3.965 4.170 0.002 0.000 0.242 196 I C 2.369 178.588 176.117 0.170 0.000 1.091 196 I CA 1.292 62.678 61.300 0.142 0.000 1.368 196 I CB -0.864 37.283 38.000 0.245 0.000 1.058 196 I HN 0.126 nan 8.210 nan 0.000 0.410 197 K N 0.638 121.104 120.400 0.111 0.000 2.148 197 K HA -0.161 4.161 4.320 0.002 0.000 0.204 197 K C 2.120 178.752 176.600 0.054 0.000 1.050 197 K CA 1.069 57.415 56.287 0.098 0.000 0.942 197 K CB 0.004 32.541 32.500 0.061 0.000 0.724 197 K HN 0.196 nan 8.250 nan 0.000 0.446 198 K N 0.495 120.898 120.400 0.005 0.000 2.062 198 K HA -0.044 4.277 4.320 0.002 0.000 0.205 198 K C 2.016 178.557 176.600 -0.099 0.000 1.051 198 K CA 1.123 57.387 56.287 -0.039 0.000 0.941 198 K CB -0.042 32.429 32.500 -0.048 0.000 0.719 198 K HN 0.092 nan 8.250 nan 0.000 0.440 199 A N -0.197 122.519 122.820 -0.172 0.000 2.070 199 A HA -0.101 4.221 4.320 0.002 0.000 0.220 199 A C 1.291 178.532 177.584 -0.571 0.000 1.159 199 A CA 1.250 53.052 52.037 -0.391 0.000 0.656 199 A CB -0.311 18.368 19.000 -0.535 0.000 0.800 199 A HN 0.267 nan 8.150 nan 0.000 0.453 200 F N -1.664 118.206 119.950 -0.133 0.000 2.682 200 F HA 0.397 4.925 4.527 0.002 0.000 0.308 200 F C 2.130 177.873 175.800 -0.095 0.000 1.093 200 F CA -0.127 57.790 58.000 -0.138 0.000 1.244 200 F CB -0.021 38.874 39.000 -0.176 0.000 1.052 200 F HN 0.188 nan 8.300 nan 0.000 0.573 201 A N -0.066 122.778 122.820 0.040 0.000 1.978 201 A HA -0.202 4.119 4.320 0.002 0.000 0.220 201 A C 1.795 179.381 177.584 0.003 0.000 1.170 201 A CA 2.211 54.260 52.037 0.019 0.000 0.636 201 A CB -0.478 18.518 19.000 -0.006 0.000 0.810 201 A HN 0.205 nan 8.150 nan 0.000 0.448 202 D N -0.222 120.167 120.400 -0.019 0.000 2.323 202 D HA 0.078 4.719 4.640 0.002 0.000 0.209 202 D C 0.854 177.147 176.300 -0.013 0.000 0.973 202 D CA 0.465 54.449 54.000 -0.028 0.000 0.874 202 D CB -0.015 40.752 40.800 -0.055 0.000 0.930 202 D HN 0.364 nan 8.370 nan 0.000 0.521 203 S N 1.015 116.727 115.700 0.020 0.000 2.617 203 S HA 0.184 4.656 4.470 0.002 0.000 0.259 203 S C 0.123 174.733 174.600 0.016 0.000 1.301 203 S CA -0.796 57.423 58.200 0.033 0.000 0.984 203 S CB 0.618 63.888 63.200 0.116 0.000 0.954 203 S HN 0.212 nan 8.310 nan 0.000 0.572 204 D N -0.141 120.264 120.400 0.008 0.000 2.377 204 D HA 0.130 4.771 4.640 0.002 0.000 0.245 204 D C 0.863 177.170 176.300 0.011 0.000 1.196 204 D CA -0.573 53.434 54.000 0.012 0.000 0.962 204 D CB 0.268 41.081 40.800 0.022 0.000 1.127 204 D HN 0.636 nan 8.370 nan 0.000 0.471 205 E N -0.412 119.803 120.200 0.026 0.000 2.097 205 E HA -0.286 4.065 4.350 0.002 0.000 0.196 205 E C 1.880 178.479 176.600 -0.002 0.000 1.000 205 E CA 1.213 57.625 56.400 0.020 0.000 0.804 205 E CB -0.079 29.649 29.700 0.047 0.000 0.740 205 E HN 0.605 nan 8.360 nan 0.000 0.454 206 M N -0.196 119.412 119.600 0.013 0.000 2.080 206 M HA -0.186 4.296 4.480 0.002 0.000 0.260 206 M C 2.196 178.438 176.300 -0.096 0.000 1.068 206 M CA 1.908 57.191 55.300 -0.029 0.000 1.109 206 M CB -0.084 32.525 32.600 0.015 0.000 1.342 206 M HN 0.080 nan 8.290 nan 0.000 0.405 207 T N 0.312 114.806 114.554 -0.101 0.000 2.746 207 T HA -0.127 4.224 4.350 0.002 0.000 0.267 207 T C 1.731 176.266 174.700 -0.274 0.000 1.039 207 T CA 1.425 63.409 62.100 -0.194 0.000 1.142 207 T CB -0.259 68.539 68.868 -0.116 0.000 0.866 207 T HN 0.443 nan 8.240 nan 0.000 0.444 208 R N 1.144 121.550 120.500 -0.157 0.000 2.075 208 R HA -0.096 4.245 4.340 0.002 0.000 0.232 208 R C 2.825 179.043 176.300 -0.137 0.000 1.126 208 R CA 1.459 57.474 56.100 -0.141 0.000 0.963 208 R CB -0.321 29.957 30.300 -0.036 0.000 0.858 208 R HN 0.648 nan 8.270 nan 0.000 0.435 209 Q N 0.368 120.111 119.800 -0.095 0.000 2.187 209 Q HA -0.081 4.261 4.340 0.002 0.000 0.199 209 Q C 2.031 177.991 176.000 -0.066 0.000 0.957 209 Q CA 1.046 56.814 55.803 -0.058 0.000 0.857 209 Q CB -0.194 28.524 28.738 -0.033 0.000 0.929 209 Q HN 0.287 nan 8.270 nan 0.000 0.453 210 M N 0.502 120.019 119.600 -0.138 0.000 2.296 210 M HA -0.063 4.419 4.480 0.002 0.000 0.265 210 M C 2.035 178.198 176.300 -0.228 0.000 1.064 210 M CA 1.437 56.632 55.300 -0.175 0.000 1.109 210 M CB -0.076 32.334 32.600 -0.316 0.000 1.396 210 M HN 0.455 nan 8.290 nan 0.000 0.430 211 A N -0.709 121.917 122.820 -0.324 0.000 1.897 211 A HA -0.080 4.241 4.320 0.002 0.000 0.215 211 A C 1.960 179.594 177.584 0.085 0.000 1.181 211 A CA 1.337 53.187 52.037 -0.311 0.000 0.620 211 A CB -0.816 17.567 19.000 -1.027 0.000 0.821 211 A HN 0.347 nan 8.150 nan 0.000 0.443 212 V N 0.728 120.655 119.914 0.022 0.000 2.515 212 V HA -0.196 3.925 4.120 0.002 0.000 0.250 212 V C 1.840 178.007 176.094 0.121 0.000 1.058 212 V CA 2.179 64.533 62.300 0.090 0.000 1.064 212 V CB -0.757 31.091 31.823 0.043 0.000 0.675 212 V HN 0.465 nan 8.190 nan 0.000 0.461 213 D N -1.479 119.008 120.400 0.145 0.000 2.269 213 D HA -0.131 4.510 4.640 0.002 0.000 0.208 213 D C 1.696 178.145 176.300 0.248 0.000 0.963 213 D CA 0.880 54.994 54.000 0.190 0.000 0.864 213 D CB -0.094 40.851 40.800 0.243 0.000 0.936 213 D HN 0.582 nan 8.370 nan 0.000 0.505 214 W N 0.386 121.641 121.300 -0.075 0.000 2.907 214 W HA 0.325 4.986 4.660 0.002 0.000 0.271 214 W C 1.964 178.251 176.519 -0.386 0.000 1.253 214 W CA -0.571 56.620 57.345 -0.256 0.000 1.501 214 W CB -0.849 28.505 29.460 -0.177 0.000 1.047 214 W HN -0.091 nan 8.180 nan 0.000 0.610 215 L N 1.228 122.535 121.223 0.140 0.000 2.030 215 L HA -0.285 4.056 4.340 0.002 0.000 0.222 215 L C -0.425 176.416 176.870 -0.047 0.000 1.082 215 L CA 2.260 57.181 54.840 0.135 0.000 0.785 215 L CB -1.515 40.673 42.059 0.215 0.000 0.895 215 L HN -0.131 nan 8.230 nan 0.000 0.439 216 P HA -0.196 nan 4.420 nan 0.000 0.216 216 P C 1.536 178.692 177.300 -0.241 0.000 1.150 216 P CA 1.823 64.835 63.100 -0.147 0.000 0.843 216 P CB -0.294 31.302 31.700 -0.172 0.000 0.787 217 I N -6.696 113.593 120.570 -0.469 0.000 3.176 217 I HA -0.025 4.146 4.170 0.002 0.000 0.275 217 I C 0.926 176.710 176.117 -0.554 0.000 1.298 217 I CA 1.401 62.354 61.300 -0.577 0.000 1.445 217 I CB -0.749 36.777 38.000 -0.789 0.000 1.075 217 I HN -0.228 nan 8.210 nan 0.000 0.482 218 F N 0.706 120.530 119.950 -0.210 0.000 2.704 218 F HA 0.328 4.856 4.527 0.002 0.000 0.304 218 F C 1.866 177.645 175.800 -0.036 0.000 1.094 218 F CA -0.125 57.710 58.000 -0.275 0.000 1.275 218 F CB -0.143 38.474 39.000 -0.638 0.000 1.073 218 F HN 0.053 nan 8.300 nan 0.000 0.586 219 E N -0.505 119.798 120.200 0.172 0.000 2.526 219 E HA 0.156 4.508 4.350 0.002 0.000 0.208 219 E C 0.107 176.767 176.600 0.099 0.000 0.997 219 E CA 0.275 56.817 56.400 0.236 0.000 0.961 219 E CB 0.414 30.259 29.700 0.242 0.000 1.030 219 E HN 0.022 nan 8.360 nan 0.000 0.483 220 T N 2.886 117.459 114.554 0.032 0.000 2.771 220 T HA 0.123 4.474 4.350 0.002 0.000 0.291 220 T C 0.180 174.904 174.700 0.040 0.000 0.954 220 T CA -0.448 61.665 62.100 0.022 0.000 1.045 220 T CB 0.914 69.772 68.868 -0.017 0.000 0.917 220 T HN 0.142 nan 8.240 nan 0.000 0.484 221 E N 3.276 123.511 120.200 0.059 0.000 2.508 221 E HA 0.062 4.413 4.350 0.002 0.000 0.266 221 E C -0.675 175.939 176.600 0.023 0.000 1.010 221 E CA 0.026 56.448 56.400 0.037 0.000 0.955 221 E CB 0.303 30.043 29.700 0.067 0.000 0.946 221 E HN 0.518 nan 8.360 nan 0.000 0.454 222 I N 3.471 123.988 120.570 -0.088 0.000 2.353 222 I HA 0.240 4.411 4.170 0.002 0.000 0.293 222 I C -1.770 174.162 176.117 -0.308 0.000 0.992 222 I CA -2.480 58.690 61.300 -0.215 0.000 1.268 222 I CB 1.173 39.060 38.000 -0.189 0.000 1.387 222 I HN 0.548 nan 8.210 nan 0.000 0.478 223 P HA 0.149 nan 4.420 nan 0.000 0.275 223 P C -1.178 175.936 177.300 -0.310 0.000 1.227 223 P CA -0.525 62.282 63.100 -0.489 0.000 0.781 223 P CB 0.642 31.830 31.700 -0.854 0.000 0.906 224 K N 3.024 123.339 120.400 -0.141 0.000 2.310 224 K HA 0.353 4.674 4.320 0.002 0.000 0.290 224 K C 0.056 176.610 176.600 -0.077 0.000 1.077 224 K CA -0.243 55.984 56.287 -0.100 0.000 0.922 224 K CB 0.205 32.691 32.500 -0.024 0.000 1.057 224 K HN 0.453 nan 8.250 nan 0.000 0.479 225 I N 3.518 123.972 120.570 -0.194 0.000 2.312 225 I HA 0.130 4.301 4.170 0.002 0.000 0.290 225 I C 0.448 176.551 176.117 -0.024 0.000 1.008 225 I CA -0.698 60.461 61.300 -0.235 0.000 1.226 225 I CB 1.146 38.824 38.000 -0.537 0.000 1.371 225 I HN 0.419 nan 8.210 nan 0.000 0.468 226 K N 8.059 128.528 120.400 0.115 0.000 2.436 226 K HA 0.276 4.597 4.320 0.002 0.000 0.275 226 K C -0.470 176.276 176.600 0.243 0.000 0.999 226 K CA 0.034 56.420 56.287 0.165 0.000 0.980 226 K CB 0.627 33.206 32.500 0.132 0.000 0.919 226 K HN 0.751 nan 8.250 nan 0.000 0.484 227 R N 0.643 121.332 120.500 0.315 0.000 2.663 227 R HA 0.479 4.820 4.340 0.002 0.000 0.267 227 R C -1.920 174.338 176.300 -0.069 0.000 1.038 227 R CA -1.104 55.105 56.100 0.182 0.000 0.886 227 R CB 1.385 31.702 30.300 0.029 0.000 1.249 227 R HN 0.286 nan 8.270 nan 0.000 0.463 228 V N 1.272 120.968 119.914 -0.365 0.000 2.525 228 V HA 0.726 4.847 4.120 0.002 0.000 0.299 228 V C -0.551 175.381 176.094 -0.270 0.000 1.034 228 V CA -0.410 61.559 62.300 -0.552 0.000 0.863 228 V CB 1.523 32.639 31.823 -1.178 0.000 0.999 228 V HN 1.026 nan 8.190 nan 0.000 0.423 229 A N 7.331 130.054 122.820 -0.163 0.000 2.363 229 A HA 0.815 5.136 4.320 0.002 0.000 0.270 229 A C -0.361 177.186 177.584 -0.062 0.000 1.121 229 A CA -0.212 51.773 52.037 -0.086 0.000 0.800 229 A CB 0.352 19.317 19.000 -0.058 0.000 1.052 229 A HN 1.452 nan 8.150 nan 0.000 0.493 230 I N -0.894 119.678 120.570 0.002 0.000 2.892 230 I HA 0.792 4.964 4.170 0.002 0.000 0.306 230 I C -0.891 175.252 176.117 0.044 0.000 1.078 230 I CA -0.650 60.682 61.300 0.053 0.000 1.032 230 I CB 2.561 40.665 38.000 0.174 0.000 1.229 230 I HN 0.537 nan 8.210 nan 0.000 0.435 231 D N 4.636 125.048 120.400 0.020 0.000 2.931 231 D HA 0.413 5.054 4.640 0.002 0.000 0.215 231 D C -1.432 174.862 176.300 -0.009 0.000 1.297 231 D CA -0.365 53.642 54.000 0.012 0.000 0.892 231 D CB 2.456 43.237 40.800 -0.032 0.000 1.642 231 D HN 0.835 nan 8.370 nan 0.000 0.560 232 I N -0.366 120.207 120.570 0.004 0.000 2.822 232 I HA 0.665 4.836 4.170 0.002 0.000 0.312 232 I C -0.885 175.264 176.117 0.053 0.000 1.011 232 I CA -0.504 60.780 61.300 -0.026 0.000 1.105 232 I CB 2.172 40.100 38.000 -0.119 0.000 1.291 232 I HN 0.088 nan 8.210 nan 0.000 0.474 233 E N 3.616 123.836 120.200 0.034 0.000 2.272 233 E HA 0.500 4.851 4.350 0.002 0.000 0.269 233 E C -1.012 175.606 176.600 0.030 0.000 0.877 233 E CA -0.616 55.825 56.400 0.069 0.000 0.755 233 E CB 2.748 32.508 29.700 0.100 0.000 1.192 233 E HN 0.672 nan 8.360 nan 0.000 0.422 234 V N 0.263 120.195 119.914 0.031 0.000 3.046 234 V HA 0.527 4.649 4.120 0.002 0.000 0.316 234 V C -0.858 175.295 176.094 0.098 0.000 1.104 234 V CA -0.948 61.372 62.300 0.034 0.000 1.006 234 V CB 1.769 33.504 31.823 -0.147 0.000 1.058 234 V HN 0.658 nan 8.190 nan 0.000 0.440 235 Y N 2.682 122.994 120.300 0.021 0.000 2.377 235 Y HA 0.598 5.149 4.550 0.002 0.000 0.330 235 Y C 0.397 176.150 175.900 -0.244 0.000 1.108 235 Y CA 0.426 58.481 58.100 -0.075 0.000 1.308 235 Y CB 0.774 39.204 38.460 -0.049 0.000 1.216 235 Y HN 0.915 nan 8.280 nan 0.000 0.518 236 T N 8.012 122.051 114.554 -0.858 0.000 2.864 236 T HA 0.248 4.599 4.350 0.002 0.000 0.299 236 T C -2.173 171.906 174.700 -1.035 0.000 1.011 236 T CA -1.586 60.004 62.100 -0.849 0.000 0.975 236 T CB 1.524 70.159 68.868 -0.388 0.000 0.962 236 T HN 0.433 nan 8.240 nan 0.000 0.448 237 P HA -0.054 nan 4.420 nan 0.000 0.214 237 P C 0.573 177.654 177.300 -0.366 0.000 1.162 237 P CA 0.535 63.242 63.100 -0.656 0.000 0.879 237 P CB 0.036 31.492 31.700 -0.407 0.000 0.786 238 V N 1.167 120.916 119.914 -0.274 0.000 2.732 238 V HA 0.070 4.192 4.120 0.002 0.000 0.297 238 V C 1.882 177.883 176.094 -0.155 0.000 1.060 238 V CA -0.024 62.184 62.300 -0.153 0.000 1.038 238 V CB 1.017 32.789 31.823 -0.085 0.000 1.003 238 V HN 0.004 nan 8.190 nan 0.000 0.481 239 K N 2.877 123.220 120.400 -0.096 0.000 1.995 239 K HA 0.062 4.384 4.320 0.002 0.000 0.207 239 K C 1.284 177.839 176.600 -0.074 0.000 1.041 239 K CA 1.094 57.332 56.287 -0.082 0.000 0.942 239 K CB -0.200 32.277 32.500 -0.039 0.000 0.731 239 K HN 0.837 nan 8.250 nan 0.000 0.439 240 G N 1.890 110.659 108.800 -0.052 0.000 2.915 240 G HA2 0.171 4.133 3.960 0.002 0.000 0.298 240 G HA3 0.171 4.133 3.960 0.002 0.000 0.298 240 G C -0.687 174.193 174.900 -0.034 0.000 0.837 240 G CA -0.149 44.926 45.100 -0.043 0.000 1.752 240 G HN 0.131 nan 8.290 nan 0.000 0.526 241 R N 2.888 123.366 120.500 -0.037 0.000 2.867 241 R HA 0.142 4.483 4.340 0.002 0.000 0.288 241 R C -0.728 175.577 176.300 0.008 0.000 1.360 241 R CA -0.704 55.392 56.100 -0.006 0.000 1.042 241 R CB 0.708 31.011 30.300 0.005 0.000 1.287 241 R HN 0.306 nan 8.270 nan 0.000 0.404 242 I N 6.049 126.622 120.570 0.005 0.000 2.396 242 I HA 0.234 4.406 4.170 0.002 0.000 0.289 242 I C -1.493 174.702 176.117 0.130 0.000 1.056 242 I CA -1.734 59.565 61.300 -0.001 0.000 1.365 242 I CB 0.795 38.746 38.000 -0.082 0.000 1.407 242 I HN 0.392 nan 8.210 nan 0.000 0.509 243 P HA 0.101 nan 4.420 nan 0.000 0.275 243 P C -0.701 176.852 177.300 0.422 0.000 1.227 243 P CA -0.295 63.043 63.100 0.398 0.000 0.781 243 P CB 0.636 32.690 31.700 0.590 0.000 0.906 244 D N 0.903 121.459 120.400 0.259 0.000 2.450 244 D HA 0.016 4.657 4.640 0.002 0.000 0.247 244 D C 1.271 177.678 176.300 0.179 0.000 1.162 244 D CA 0.092 54.196 54.000 0.173 0.000 0.879 244 D CB 0.594 41.417 40.800 0.038 0.000 1.163 244 D HN 0.239 nan 8.370 nan 0.000 0.472 245 S N 2.426 118.257 115.700 0.218 0.000 2.522 245 S HA -0.128 4.343 4.470 0.002 0.000 0.227 245 S C 1.623 176.174 174.600 -0.082 0.000 0.986 245 S CA 0.302 58.581 58.200 0.132 0.000 0.929 245 S CB 0.077 63.400 63.200 0.205 0.000 0.769 245 S HN 0.608 nan 8.310 nan 0.000 0.529 246 Q N 1.254 120.948 119.800 -0.178 0.000 2.123 246 Q HA 0.173 4.514 4.340 0.002 0.000 0.196 246 Q C 2.222 177.831 176.000 -0.653 0.000 0.958 246 Q CA 1.008 56.457 55.803 -0.591 0.000 0.841 246 Q CB -0.053 28.417 28.738 -0.447 0.000 0.915 246 Q HN 0.571 nan 8.270 nan 0.000 0.455 247 K N -0.355 119.825 120.400 -0.368 0.000 2.116 247 K HA 0.022 4.344 4.320 0.002 0.000 0.203 247 K C 0.209 176.606 176.600 -0.338 0.000 1.052 247 K CA 0.826 56.928 56.287 -0.307 0.000 0.952 247 K CB 0.031 32.407 32.500 -0.208 0.000 0.729 247 K HN 0.209 nan 8.250 nan 0.000 0.446 248 A N 1.899 124.454 122.820 -0.442 0.000 2.560 248 A HA -0.237 4.084 4.320 0.002 0.000 0.299 248 A C 0.746 178.111 177.584 -0.366 0.000 1.484 248 A CA 1.177 52.768 52.037 -0.743 0.000 0.749 248 A CB -1.975 16.566 19.000 -0.764 0.000 1.072 248 A HN 0.678 nan 8.150 nan 0.000 0.426 249 E N -1.322 118.662 120.200 -0.360 0.000 2.152 249 E HA 0.004 4.355 4.350 0.002 0.000 0.192 249 E C -0.051 176.278 176.600 -0.452 0.000 0.983 249 E CA 0.815 56.891 56.400 -0.539 0.000 0.818 249 E CB 0.075 29.217 29.700 -0.929 0.000 0.758 249 E HN 0.746 nan 8.360 nan 0.000 0.467 250 F N 0.177 120.286 119.950 0.265 0.000 2.507 250 F HA 0.385 4.914 4.527 0.002 0.000 0.327 250 F C -2.121 173.867 175.800 0.313 0.000 1.068 250 F CA -3.476 54.701 58.000 0.296 0.000 0.965 250 F CB 0.528 39.731 39.000 0.339 0.000 1.192 250 F HN -0.203 nan 8.300 nan 0.000 0.476 251 P HA 0.070 nan 4.420 nan 0.000 0.269 251 P C -0.347 177.100 177.300 0.245 0.000 1.209 251 P CA -0.117 63.141 63.100 0.263 0.000 0.776 251 P CB 0.390 32.172 31.700 0.137 0.000 0.876 252 I N 4.338 125.008 120.570 0.166 0.000 2.452 252 I HA 0.018 4.189 4.170 0.002 0.000 0.287 252 I C 1.856 178.003 176.117 0.050 0.000 1.079 252 I CA 0.193 61.530 61.300 0.062 0.000 1.387 252 I CB -0.064 37.929 38.000 -0.012 0.000 1.404 252 I HN 0.455 nan 8.210 nan 0.000 0.522 253 I N 2.717 123.323 120.570 0.060 0.000 3.035 253 I HA 0.103 4.274 4.170 0.002 0.000 0.271 253 I C 0.584 176.733 176.117 0.054 0.000 1.190 253 I CA 0.264 61.603 61.300 0.065 0.000 1.472 253 I CB 0.192 38.248 38.000 0.092 0.000 1.116 253 I HN 0.590 nan 8.210 nan 0.000 0.443 254 S N 0.608 116.329 115.700 0.036 0.000 2.565 254 S HA 0.717 5.189 4.470 0.002 0.000 0.269 254 S C -0.994 173.596 174.600 -0.015 0.000 1.153 254 S CA -0.830 57.389 58.200 0.031 0.000 0.835 254 S CB 2.075 65.319 63.200 0.073 0.000 1.122 254 S HN 0.194 nan 8.310 nan 0.000 0.462 255 I N 1.082 121.637 120.570 -0.025 0.000 2.533 255 I HA 0.711 4.882 4.170 0.002 0.000 0.290 255 I C -0.061 176.085 176.117 0.048 0.000 1.056 255 I CA -0.975 60.292 61.300 -0.055 0.000 1.057 255 I CB 2.043 39.914 38.000 -0.216 0.000 1.240 255 I HN 0.958 nan 8.210 nan 0.000 0.423 256 A N 6.884 129.744 122.820 0.067 0.000 2.312 256 A HA 0.925 5.247 4.320 0.002 0.000 0.326 256 A C -1.022 176.639 177.584 0.128 0.000 1.172 256 A CA -0.389 51.732 52.037 0.139 0.000 0.821 256 A CB 0.802 19.882 19.000 0.132 0.000 1.166 256 A HN 0.607 nan 8.150 nan 0.000 0.493 257 L N 1.550 122.879 121.223 0.178 0.000 2.404 257 L HA 0.642 4.984 4.340 0.002 0.000 0.272 257 L C 0.123 177.088 176.870 0.159 0.000 0.980 257 L CA 0.018 54.923 54.840 0.108 0.000 0.836 257 L CB 2.006 44.120 42.059 0.091 0.000 1.238 257 L HN 0.769 nan 8.230 nan 0.000 0.408 258 A N 2.241 125.089 122.820 0.046 0.000 2.285 258 A HA 0.838 5.160 4.320 0.002 0.000 0.310 258 A C 0.147 177.716 177.584 -0.025 0.000 1.266 258 A CA -0.287 51.799 52.037 0.081 0.000 0.832 258 A CB 0.785 19.724 19.000 -0.101 0.000 1.163 258 A HN 0.691 nan 8.150 nan 0.000 0.499 259 G N 0.580 109.394 108.800 0.023 0.000 2.389 259 G HA2 0.440 4.402 3.960 0.002 0.000 0.328 259 G HA3 0.440 4.402 3.960 0.002 0.000 0.328 259 G C 0.908 175.876 174.900 0.113 0.000 1.133 259 G CA 0.266 45.372 45.100 0.009 0.000 0.891 259 G HN 1.207 nan 8.290 nan 0.000 0.485 260 S N 0.244 116.021 115.700 0.129 0.000 2.507 260 S HA -0.116 4.355 4.470 0.002 0.000 0.235 260 S C 1.222 175.897 174.600 0.126 0.000 0.988 260 S CA 1.226 59.493 58.200 0.112 0.000 0.944 260 S CB -0.007 63.246 63.200 0.088 0.000 0.762 260 S HN 0.633 nan 8.310 nan 0.000 0.526 261 D N 0.385 120.890 120.400 0.175 0.000 2.325 261 D HA 0.254 4.896 4.640 0.002 0.000 0.234 261 D C 1.309 177.676 176.300 0.112 0.000 1.122 261 D CA 0.444 54.521 54.000 0.127 0.000 0.850 261 D CB -0.578 40.292 40.800 0.117 0.000 0.921 261 D HN 0.543 nan 8.370 nan 0.000 0.513 262 G N 0.243 109.113 108.800 0.116 0.000 2.175 262 G HA2 -0.277 3.684 3.960 0.002 0.000 0.244 262 G HA3 -0.277 3.684 3.960 0.002 0.000 0.244 262 G C -0.005 174.965 174.900 0.116 0.000 0.982 262 G CA 0.066 45.228 45.100 0.102 0.000 0.641 262 G HN 0.485 nan 8.290 nan 0.000 0.527 263 L N 1.271 122.584 121.223 0.151 0.000 2.455 263 L HA 0.581 4.922 4.340 0.002 0.000 0.272 263 L C 0.207 177.175 176.870 0.164 0.000 1.174 263 L CA 0.423 55.354 54.840 0.151 0.000 0.869 263 L CB 0.384 42.566 42.059 0.205 0.000 1.130 263 L HN 0.175 nan 8.230 nan 0.000 0.474 264 K N 5.251 125.712 120.400 0.102 0.000 2.604 264 K HA 0.456 4.778 4.320 0.002 0.000 0.247 264 K C -1.134 175.430 176.600 -0.059 0.000 0.956 264 K CA -0.881 55.431 56.287 0.042 0.000 0.896 264 K CB 1.814 34.167 32.500 -0.244 0.000 1.131 264 K HN 0.324 nan 8.250 nan 0.000 0.440 265 K N 1.420 121.867 120.400 0.079 0.000 2.464 265 K HA 0.547 4.868 4.320 0.002 0.000 0.253 265 K C -1.585 175.094 176.600 0.131 0.000 0.933 265 K CA -0.709 55.624 56.287 0.077 0.000 0.801 265 K CB 2.157 34.730 32.500 0.120 0.000 1.271 265 K HN 0.259 nan 8.250 nan 0.000 0.430 266 V N 4.739 124.710 119.914 0.096 0.000 2.569 266 V HA 0.423 4.544 4.120 0.002 0.000 0.301 266 V C -1.031 175.147 176.094 0.139 0.000 1.044 266 V CA -0.850 61.527 62.300 0.128 0.000 0.874 266 V CB 1.579 33.472 31.823 0.117 0.000 1.002 266 V HN 0.603 nan 8.190 nan 0.000 0.424 267 L N 5.878 127.194 121.223 0.156 0.000 2.264 267 L HA 0.771 5.113 4.340 0.002 0.000 0.289 267 L C -0.209 176.769 176.870 0.180 0.000 1.044 267 L CA -0.761 54.215 54.840 0.226 0.000 0.807 267 L CB 1.540 43.674 42.059 0.126 0.000 1.192 267 L HN 0.587 nan 8.230 nan 0.000 0.425 268 V N 2.014 122.075 119.914 0.245 0.000 2.680 268 V HA 0.534 4.655 4.120 0.002 0.000 0.309 268 V C -0.648 175.569 176.094 0.206 0.000 1.052 268 V CA -0.999 61.401 62.300 0.167 0.000 0.908 268 V CB 2.152 34.044 31.823 0.114 0.000 1.001 268 V HN 0.587 nan 8.190 nan 0.000 0.431 269 L N 4.314 125.618 121.223 0.135 0.000 2.278 269 L HA 0.473 4.815 4.340 0.002 0.000 0.287 269 L C 0.356 177.277 176.870 0.085 0.000 1.072 269 L CA 0.344 55.258 54.840 0.122 0.000 0.819 269 L CB -0.010 42.093 42.059 0.074 0.000 1.176 269 L HN 0.857 nan 8.230 nan 0.000 0.435 270 N N 4.116 122.866 118.700 0.083 0.000 2.440 270 N HA 0.061 4.802 4.740 0.002 0.000 0.265 270 N C 0.534 176.058 175.510 0.023 0.000 1.239 270 N CA 0.192 53.269 53.050 0.043 0.000 0.909 270 N CB 0.709 39.216 38.487 0.034 0.000 1.066 270 N HN 0.577 nan 8.380 nan 0.000 0.474 271 R N 1.411 121.914 120.500 0.005 0.000 2.121 271 R HA 0.203 4.544 4.340 0.002 0.000 0.206 271 R C -0.031 176.251 176.300 -0.030 0.000 1.094 271 R CA 0.500 56.585 56.100 -0.025 0.000 1.055 271 R CB 0.413 30.687 30.300 -0.043 0.000 0.964 271 R HN 0.471 nan 8.270 nan 0.000 0.473 272 N N 1.603 120.293 118.700 -0.018 0.000 2.541 272 N HA 0.110 4.851 4.740 0.002 0.000 0.297 272 N C -1.560 173.945 175.510 -0.007 0.000 1.503 272 N CA 0.067 53.108 53.050 -0.016 0.000 0.919 272 N CB 0.856 39.333 38.487 -0.018 0.000 1.305 272 N HN 0.288 nan 8.380 nan 0.000 0.501 273 D N -1.825 118.573 120.400 -0.004 0.000 2.725 273 D HA 0.209 4.850 4.640 0.002 0.000 0.292 273 D C -0.769 175.531 176.300 -0.001 0.000 1.288 273 D CA -0.465 53.533 54.000 -0.002 0.000 0.784 273 D CB 1.813 42.612 40.800 -0.001 0.000 1.308 273 D HN -0.224 nan 8.370 nan 0.000 0.429 274 V N 0.701 120.613 119.914 -0.003 0.000 2.850 274 V HA 0.367 4.488 4.120 0.002 0.000 0.284 274 V C -0.563 175.524 176.094 -0.011 0.000 0.940 274 V CA -0.549 61.749 62.300 -0.003 0.000 1.131 274 V CB 0.268 32.091 31.823 -0.001 0.000 1.024 274 V HN 0.607 nan 8.190 nan 0.000 0.513 275 N N 0.958 119.647 118.700 -0.019 0.000 2.405 275 N HA 0.372 5.113 4.740 0.002 0.000 0.274 275 N C -0.422 175.051 175.510 -0.061 0.000 1.170 275 N CA -0.373 52.656 53.050 -0.034 0.000 0.848 275 N CB 3.135 41.604 38.487 -0.030 0.000 1.629 275 N HN 0.416 nan 8.380 nan 0.000 0.481 276 E N 0.046 120.192 120.200 -0.090 0.000 2.423 276 E HA 0.229 4.581 4.350 0.002 0.000 0.198 276 E C 0.750 177.250 176.600 -0.167 0.000 1.038 276 E CA -0.432 55.866 56.400 -0.170 0.000 1.011 276 E CB 0.342 29.921 29.700 -0.202 0.000 1.118 276 E HN 0.537 nan 8.360 nan 0.000 0.451 277 G N 0.631 109.368 108.800 -0.104 0.000 2.432 277 G HA2 0.111 4.072 3.960 0.002 0.000 0.239 277 G HA3 0.111 4.072 3.960 0.002 0.000 0.239 277 G C -0.272 174.576 174.900 -0.087 0.000 1.291 277 G CA -0.326 44.725 45.100 -0.081 0.000 0.863 277 G HN 0.157 nan 8.290 nan 0.000 0.560 278 S N -0.096 115.561 115.700 -0.072 0.000 2.489 278 S HA 0.676 5.147 4.470 0.002 0.000 0.291 278 S C 0.032 174.610 174.600 -0.038 0.000 1.151 278 S CA -0.331 57.833 58.200 -0.059 0.000 1.082 278 S CB 0.912 64.080 63.200 -0.053 0.000 1.019 278 S HN 1.291 nan 8.310 nan 0.000 0.492 279 V N 2.049 121.944 119.914 -0.032 0.000 3.182 279 V HA 0.798 4.919 4.120 0.002 0.000 0.308 279 V C -1.235 174.841 176.094 -0.030 0.000 1.240 279 V CA -1.155 61.129 62.300 -0.027 0.000 1.063 279 V CB 1.777 33.586 31.823 -0.023 0.000 1.076 279 V HN 0.684 nan 8.190 nan 0.000 0.446 280 K N 0.747 121.127 120.400 -0.032 0.000 2.207 280 K HA 0.860 5.182 4.320 0.002 0.000 0.255 280 K C -1.505 175.068 176.600 -0.046 0.000 0.941 280 K CA -0.477 55.783 56.287 -0.045 0.000 0.825 280 K CB 1.682 34.159 32.500 -0.039 0.000 1.119 280 K HN 0.747 nan 8.250 nan 0.000 0.430 281 L N 3.624 124.808 121.223 -0.066 0.000 2.485 281 L HA 0.265 4.606 4.340 0.002 0.000 0.260 281 L C -1.218 175.611 176.870 -0.069 0.000 0.998 281 L CA -0.141 54.666 54.840 -0.055 0.000 0.883 281 L CB 1.128 43.159 42.059 -0.046 0.000 1.196 281 L HN 0.798 nan 8.230 nan 0.000 0.443 282 D N 2.979 123.351 120.400 -0.045 0.000 2.740 282 D HA -0.131 4.510 4.640 0.002 0.000 0.231 282 D C 1.243 177.500 176.300 -0.071 0.000 1.194 282 D CA 1.275 55.251 54.000 -0.041 0.000 0.673 282 D CB -0.963 39.825 40.800 -0.020 0.000 0.995 282 D HN 1.024 nan 8.370 nan 0.000 0.411 283 G N -0.974 107.779 108.800 -0.078 0.000 2.199 283 G HA2 -0.334 3.627 3.960 0.002 0.000 0.254 283 G HA3 -0.334 3.627 3.960 0.002 0.000 0.254 283 G C 0.345 175.139 174.900 -0.177 0.000 0.982 283 G CA 0.040 45.081 45.100 -0.097 0.000 0.632 283 G HN 0.584 nan 8.290 nan 0.000 0.529 284 I N 2.304 122.727 120.570 -0.245 0.000 2.297 284 I HA 0.376 4.547 4.170 0.002 0.000 0.291 284 I C 0.967 176.973 176.117 -0.186 0.000 1.033 284 I CA -0.333 60.752 61.300 -0.358 0.000 1.253 284 I CB 1.660 39.358 38.000 -0.502 0.000 1.396 284 I HN 0.119 nan 8.210 nan 0.000 0.476 285 S N 6.230 121.851 115.700 -0.132 0.000 2.507 285 S HA 0.154 4.625 4.470 0.002 0.000 0.299 285 S C -0.156 174.423 174.600 -0.034 0.000 1.214 285 S CA -0.490 57.675 58.200 -0.058 0.000 1.137 285 S CB -0.121 63.067 63.200 -0.020 0.000 1.009 285 S HN 0.356 nan 8.310 nan 0.000 0.512 286 V N 7.001 126.901 119.914 -0.024 0.000 2.383 286 V HA 0.392 4.513 4.120 0.002 0.000 0.275 286 V C 0.216 176.318 176.094 0.012 0.000 1.036 286 V CA -0.498 61.806 62.300 0.007 0.000 0.889 286 V CB 1.252 33.074 31.823 -0.001 0.000 0.985 286 V HN 0.830 nan 8.190 nan 0.000 0.459 287 E N 4.678 124.912 120.200 0.056 0.000 2.207 287 E HA 0.685 5.036 4.350 0.002 0.000 0.270 287 E C -0.774 175.809 176.600 -0.029 0.000 0.927 287 E CA -0.937 55.458 56.400 -0.008 0.000 0.799 287 E CB 2.679 32.426 29.700 0.078 0.000 1.172 287 E HN 0.497 nan 8.360 nan 0.000 0.404 288 R N 1.370 121.673 120.500 -0.328 0.000 2.750 288 R HA 0.584 4.925 4.340 0.002 0.000 0.281 288 R C -1.329 174.582 176.300 -0.647 0.000 0.972 288 R CA -0.664 55.288 56.100 -0.246 0.000 0.912 288 R CB 1.301 31.527 30.300 -0.124 0.000 1.187 288 R HN 0.370 nan 8.270 nan 0.000 0.464 289 F N 0.404 120.365 119.950 0.018 0.000 2.581 289 F HA 0.324 4.853 4.527 0.002 0.000 0.311 289 F C 0.841 176.653 175.800 0.021 0.000 1.113 289 F CA -0.882 57.132 58.000 0.023 0.000 0.935 289 F CB 1.865 40.880 39.000 0.025 0.000 1.232 289 F HN 0.402 nan 8.300 nan 0.000 0.445 290 N N -0.131 118.671 118.700 0.169 0.000 2.333 290 N HA -0.019 4.723 4.740 0.002 0.000 0.178 290 N C 0.533 176.113 175.510 0.118 0.000 1.018 290 N CA 0.836 53.951 53.050 0.108 0.000 0.882 290 N CB 0.097 38.623 38.487 0.064 0.000 0.984 290 N HN 0.684 nan 8.380 nan 0.000 0.434 291 T N -2.153 112.497 114.554 0.160 0.000 2.855 291 T HA 0.306 4.658 4.350 0.002 0.000 0.281 291 T C 0.825 175.605 174.700 0.134 0.000 1.007 291 T CA -0.768 61.414 62.100 0.136 0.000 1.009 291 T CB 2.827 71.781 68.868 0.143 0.000 0.983 291 T HN 0.004 nan 8.240 nan 0.000 0.455 292 E N 0.981 121.239 120.200 0.097 0.000 2.204 292 E HA -0.150 4.202 4.350 0.002 0.000 0.194 292 E C 1.190 177.823 176.600 0.055 0.000 0.989 292 E CA 0.676 57.105 56.400 0.048 0.000 0.824 292 E CB -0.167 29.570 29.700 0.062 0.000 0.756 292 E HN 0.820 nan 8.360 nan 0.000 0.477 293 Y N 1.603 121.912 120.300 0.015 0.000 2.114 293 Y HA -0.246 4.305 4.550 0.002 0.000 0.282 293 Y C 1.974 177.911 175.900 0.061 0.000 1.165 293 Y CA 2.006 60.134 58.100 0.046 0.000 1.148 293 Y CB 0.150 38.568 38.460 -0.069 0.000 0.972 293 Y HN 0.031 nan 8.280 nan 0.000 0.504 294 E N 0.053 120.280 120.200 0.045 0.000 2.230 294 E HA -0.120 4.231 4.350 0.002 0.000 0.192 294 E C 2.314 178.664 176.600 -0.417 0.000 0.987 294 E CA 0.716 57.096 56.400 -0.033 0.000 0.841 294 E CB -0.455 29.394 29.700 0.248 0.000 0.783 294 E HN 0.573 nan 8.360 nan 0.000 0.481 295 L N 0.725 121.564 121.223 -0.639 0.000 2.013 295 L HA -0.201 4.140 4.340 0.002 0.000 0.212 295 L C 2.282 178.757 176.870 -0.659 0.000 1.073 295 L CA 1.259 55.444 54.840 -1.092 0.000 0.753 295 L CB -0.140 41.571 42.059 -0.581 0.000 0.890 295 L HN 0.106 nan 8.230 nan 0.000 0.432 296 L N -1.141 119.792 121.223 -0.483 0.000 2.179 296 L HA -0.047 4.295 4.340 0.002 0.000 0.208 296 L C 2.625 178.974 176.870 -0.868 0.000 1.096 296 L CA 0.813 55.260 54.840 -0.656 0.000 0.779 296 L CB -1.198 40.476 42.059 -0.641 0.000 0.922 296 L HN 0.387 nan 8.230 nan 0.000 0.443 297 G N 0.515 109.025 108.800 -0.482 0.000 2.513 297 G HA2 -0.360 3.601 3.960 0.002 0.000 0.219 297 G HA3 -0.360 3.601 3.960 0.002 0.000 0.219 297 G C 1.747 176.541 174.900 -0.177 0.000 1.160 297 G CA 1.166 46.135 45.100 -0.218 0.000 0.767 297 G HN 0.231 nan 8.290 nan 0.000 0.571 298 R N -0.328 120.044 120.500 -0.213 0.000 2.127 298 R HA 0.136 4.478 4.340 0.002 0.000 0.217 298 R C 2.118 178.369 176.300 -0.082 0.000 1.074 298 R CA 0.735 56.788 56.100 -0.078 0.000 0.991 298 R CB -0.812 29.480 30.300 -0.013 0.000 0.895 298 R HN 0.321 nan 8.270 nan 0.000 0.450 299 F N 0.182 119.928 119.950 -0.339 0.000 2.126 299 F HA -0.155 4.373 4.527 0.002 0.000 0.299 299 F C 1.155 176.856 175.800 -0.166 0.000 1.096 299 F CA 1.439 59.267 58.000 -0.286 0.000 1.255 299 F CB -0.255 38.498 39.000 -0.411 0.000 0.997 299 F HN -0.017 nan 8.300 nan 0.000 0.479 300 F N 1.051 120.857 119.950 -0.240 0.000 2.146 300 F HA -0.138 4.390 4.527 0.002 0.000 0.298 300 F C 2.397 178.080 175.800 -0.195 0.000 1.096 300 F CA 1.195 59.014 58.000 -0.301 0.000 1.275 300 F CB -1.458 37.453 39.000 -0.149 0.000 1.008 300 F HN -0.001 nan 8.300 nan 0.000 0.480 301 D N 0.318 120.759 120.400 0.068 0.000 2.123 301 D HA -0.154 4.487 4.640 0.002 0.000 0.196 301 D C 2.481 178.805 176.300 0.040 0.000 0.992 301 D CA 1.309 55.355 54.000 0.076 0.000 0.833 301 D CB -0.354 40.493 40.800 0.079 0.000 0.954 301 D HN 0.256 nan 8.370 nan 0.000 0.455 302 I N 0.172 120.733 120.570 -0.014 0.000 2.277 302 I HA -0.177 3.994 4.170 0.002 0.000 0.243 302 I C 2.323 178.468 176.117 0.047 0.000 1.094 302 I CA 0.185 61.506 61.300 0.035 0.000 1.393 302 I CB -0.095 37.925 38.000 0.033 0.000 1.078 302 I HN -0.033 nan 8.210 nan 0.000 0.417 303 L N 1.141 122.237 121.223 -0.212 0.000 2.021 303 L HA -0.232 4.110 4.340 0.002 0.000 0.215 303 L C 2.205 179.091 176.870 0.027 0.000 1.074 303 L CA 1.987 56.660 54.840 -0.279 0.000 0.760 303 L CB -0.613 41.051 42.059 -0.659 0.000 0.889 303 L HN 0.171 nan 8.230 nan 0.000 0.433 304 L N -0.746 120.521 121.223 0.072 0.000 2.549 304 L HA -0.161 4.180 4.340 0.002 0.000 0.229 304 L C 2.139 179.090 176.870 0.134 0.000 1.158 304 L CA 0.692 55.637 54.840 0.175 0.000 0.842 304 L CB -0.484 41.674 42.059 0.164 0.000 0.952 304 L HN 0.409 nan 8.230 nan 0.000 0.452 305 E N -1.243 119.010 120.200 0.089 0.000 2.427 305 E HA -0.047 4.304 4.350 0.002 0.000 0.196 305 E C -0.494 175.946 176.600 -0.268 0.000 1.028 305 E CA 0.334 56.672 56.400 -0.103 0.000 0.864 305 E CB 0.256 29.825 29.700 -0.219 0.000 0.813 305 E HN 0.342 nan 8.360 nan 0.000 0.514 306 Y N 0.042 120.384 120.300 0.070 0.000 2.360 306 Y HA 0.184 4.735 4.550 0.002 0.000 0.337 306 Y C -1.557 174.454 175.900 0.186 0.000 1.039 306 Y CA -2.636 55.517 58.100 0.089 0.000 1.109 306 Y CB 1.220 39.691 38.460 0.018 0.000 1.201 306 Y HN -0.097 nan 8.280 nan 0.000 0.458 307 P HA 0.021 nan 4.420 nan 0.000 0.224 307 P C -0.095 177.375 177.300 0.284 0.000 1.157 307 P CA 1.335 64.587 63.100 0.254 0.000 0.799 307 P CB 1.356 33.216 31.700 0.268 0.000 0.809 308 I N -0.087 120.631 120.570 0.247 0.000 2.545 308 I HA 0.296 4.467 4.170 0.002 0.000 0.292 308 I C -0.531 175.626 176.117 0.065 0.000 1.040 308 I CA -1.188 60.200 61.300 0.147 0.000 1.068 308 I CB 3.239 41.249 38.000 0.018 0.000 1.251 308 I HN -0.333 nan 8.210 nan 0.000 0.424 309 V N 7.648 127.557 119.914 -0.009 0.000 2.435 309 V HA 0.547 4.668 4.120 0.002 0.000 0.290 309 V C -0.569 175.434 176.094 -0.151 0.000 1.030 309 V CA -0.389 61.829 62.300 -0.137 0.000 0.881 309 V CB 1.757 33.425 31.823 -0.258 0.000 0.983 309 V HN 0.493 nan 8.190 nan 0.000 0.445 310 L N 6.728 127.870 121.223 -0.136 0.000 2.317 310 L HA 0.790 5.131 4.340 0.002 0.000 0.281 310 L C 0.256 177.098 176.870 -0.046 0.000 1.024 310 L CA -0.305 54.453 54.840 -0.136 0.000 0.810 310 L CB 2.059 44.078 42.059 -0.068 0.000 1.240 310 L HN 0.828 nan 8.230 nan 0.000 0.427 311 T N -1.482 113.059 114.554 -0.022 0.000 2.838 311 T HA 0.618 4.969 4.350 0.002 0.000 0.292 311 T C -1.093 173.735 174.700 0.213 0.000 1.113 311 T CA -0.611 61.577 62.100 0.147 0.000 1.008 311 T CB 2.047 71.093 68.868 0.296 0.000 1.259 311 T HN 0.251 nan 8.240 nan 0.000 0.520 312 F N 2.005 122.028 119.950 0.122 0.000 2.513 312 F HA 0.531 5.060 4.527 0.002 0.000 0.358 312 F C 0.594 176.475 175.800 0.135 0.000 1.118 312 F CA -0.516 57.580 58.000 0.159 0.000 1.037 312 F CB 0.637 39.700 39.000 0.106 0.000 1.276 312 F HN 0.911 nan 8.300 nan 0.000 0.446 313 N N 2.347 121.101 118.700 0.089 0.000 2.829 313 N HA -0.172 4.569 4.740 0.002 0.000 0.250 313 N C 1.171 176.780 175.510 0.166 0.000 1.090 313 N CA 1.013 54.095 53.050 0.053 0.000 0.781 313 N CB -1.099 37.348 38.487 -0.068 0.000 1.124 313 N HN 0.850 nan 8.380 nan 0.000 0.559 314 G N -0.757 108.179 108.800 0.227 0.000 2.484 314 G HA2 -0.191 3.770 3.960 0.002 0.000 0.218 314 G HA3 -0.191 3.770 3.960 0.002 0.000 0.218 314 G C 1.140 176.104 174.900 0.107 0.000 1.130 314 G CA 0.903 46.137 45.100 0.224 0.000 0.784 314 G HN 0.436 nan 8.290 nan 0.000 0.543 315 D N 0.565 121.043 120.400 0.129 0.000 2.123 315 D HA -0.109 4.533 4.640 0.002 0.000 0.196 315 D C 1.946 178.279 176.300 0.055 0.000 0.992 315 D CA 1.256 55.282 54.000 0.042 0.000 0.833 315 D CB -0.067 40.792 40.800 0.099 0.000 0.954 315 D HN 0.318 nan 8.370 nan 0.000 0.455 316 D N -2.142 118.318 120.400 0.101 0.000 2.240 316 D HA -0.025 4.616 4.640 0.002 0.000 0.206 316 D C 1.291 177.724 176.300 0.222 0.000 0.963 316 D CA 0.380 54.455 54.000 0.125 0.000 0.863 316 D CB 0.278 41.131 40.800 0.088 0.000 0.973 316 D HN 0.091 nan 8.370 nan 0.000 0.501 317 F N 0.097 120.084 119.950 0.062 0.000 2.444 317 F HA 0.199 4.728 4.527 0.002 0.000 0.263 317 F C 1.460 177.341 175.800 0.135 0.000 0.912 317 F CA 0.304 58.365 58.000 0.102 0.000 1.122 317 F CB -0.417 38.614 39.000 0.052 0.000 1.246 317 F HN -0.257 nan 8.300 nan 0.000 0.752 318 D N 1.142 121.584 120.400 0.069 0.000 2.087 318 D HA -0.184 4.457 4.640 0.002 0.000 0.192 318 D C 2.365 178.619 176.300 -0.076 0.000 0.993 318 D CA 2.167 56.130 54.000 -0.061 0.000 0.828 318 D CB -0.435 40.422 40.800 0.095 0.000 0.968 318 D HN 0.225 nan 8.370 nan 0.000 0.448 319 L N 0.205 121.409 121.223 -0.031 0.000 2.027 319 L HA -0.060 4.281 4.340 0.002 0.000 0.206 319 L C -0.559 176.295 176.870 -0.027 0.000 1.074 319 L CA 1.136 55.950 54.840 -0.044 0.000 0.745 319 L CB -1.648 40.323 42.059 -0.147 0.000 0.898 319 L HN 0.084 nan 8.230 nan 0.000 0.433 320 P HA -0.214 nan 4.420 nan 0.000 0.216 320 P C 1.435 178.818 177.300 0.139 0.000 1.150 320 P CA 1.415 64.543 63.100 0.046 0.000 0.837 320 P CB -0.078 31.709 31.700 0.146 0.000 0.786 321 Y N 0.109 120.357 120.300 -0.087 0.000 2.145 321 Y HA -0.175 4.377 4.550 0.002 0.000 0.286 321 Y C 2.264 178.118 175.900 -0.077 0.000 1.145 321 Y CA 1.427 59.437 58.100 -0.150 0.000 1.148 321 Y CB -0.976 37.147 38.460 -0.561 0.000 0.981 321 Y HN -0.200 nan 8.280 nan 0.000 0.507 322 I N -1.289 119.326 120.570 0.074 0.000 2.208 322 I HA -0.370 3.801 4.170 0.002 0.000 0.245 322 I C 2.153 178.290 176.117 0.034 0.000 1.097 322 I CA 1.825 63.136 61.300 0.018 0.000 1.363 322 I CB -0.529 37.444 38.000 -0.045 0.000 1.051 322 I HN 0.274 nan 8.210 nan 0.000 0.413 323 Y N 0.811 121.039 120.300 -0.120 0.000 2.163 323 Y HA -0.247 4.304 4.550 0.002 0.000 0.288 323 Y C 2.085 177.823 175.900 -0.270 0.000 1.136 323 Y CA 1.616 59.566 58.100 -0.249 0.000 1.147 323 Y CB -0.285 37.896 38.460 -0.465 0.000 0.987 323 Y HN -0.016 nan 8.280 nan 0.000 0.509 324 F N -0.197 119.773 119.950 0.032 0.000 2.367 324 F HA -0.010 4.518 4.527 0.002 0.000 0.298 324 F C 2.270 177.980 175.800 -0.149 0.000 1.094 324 F CA 0.655 58.611 58.000 -0.073 0.000 1.409 324 F CB -0.383 38.571 39.000 -0.077 0.000 1.064 324 F HN -0.099 nan 8.300 nan 0.000 0.528 325 R N 0.525 121.021 120.500 -0.006 0.000 2.066 325 R HA -0.030 4.311 4.340 0.002 0.000 0.232 325 R C 2.430 178.765 176.300 0.059 0.000 1.131 325 R CA 1.230 57.334 56.100 0.005 0.000 0.955 325 R CB -1.399 28.931 30.300 0.051 0.000 0.851 325 R HN 0.265 nan 8.270 nan 0.000 0.432 326 A N 1.186 124.030 122.820 0.041 0.000 1.948 326 A HA -0.147 4.174 4.320 0.002 0.000 0.220 326 A C 2.397 180.092 177.584 0.186 0.000 1.177 326 A CA 1.334 53.465 52.037 0.156 0.000 0.636 326 A CB -0.638 18.366 19.000 0.006 0.000 0.815 326 A HN 0.229 nan 8.150 nan 0.000 0.449 327 L N -1.229 119.987 121.223 -0.011 0.000 2.093 327 L HA -0.149 4.192 4.340 0.002 0.000 0.208 327 L C 2.157 179.066 176.870 0.065 0.000 1.085 327 L CA 1.564 56.412 54.840 0.014 0.000 0.755 327 L CB -0.326 41.720 42.059 -0.021 0.000 0.904 327 L HN 0.330 nan 8.230 nan 0.000 0.435 328 K N -0.180 120.258 120.400 0.063 0.000 2.525 328 K HA 0.045 4.366 4.320 0.002 0.000 0.192 328 K C 1.438 178.068 176.600 0.050 0.000 1.029 328 K CA 0.415 56.729 56.287 0.045 0.000 1.029 328 K CB 0.245 32.759 32.500 0.024 0.000 0.814 328 K HN 0.290 nan 8.250 nan 0.000 0.503 329 L N -1.546 119.733 121.223 0.095 0.000 2.701 329 L HA 0.233 4.574 4.340 0.002 0.000 0.238 329 L C 1.003 177.896 176.870 0.038 0.000 1.106 329 L CA 0.110 55.018 54.840 0.113 0.000 0.898 329 L CB 0.956 43.165 42.059 0.249 0.000 1.188 329 L HN 0.346 nan 8.230 nan 0.000 0.508 330 G N -1.265 107.540 108.800 0.008 0.000 2.175 330 G HA2 -0.242 3.719 3.960 0.002 0.000 0.182 330 G HA3 -0.242 3.719 3.960 0.002 0.000 0.182 330 G C -0.204 174.566 174.900 -0.218 0.000 1.003 330 G CA -0.712 44.292 45.100 -0.160 0.000 0.666 330 G HN 0.087 nan 8.290 nan 0.000 0.506 331 Y N 0.631 120.978 120.300 0.078 0.000 2.442 331 Y HA 0.544 5.095 4.550 0.002 0.000 0.330 331 Y C 1.087 176.969 175.900 -0.029 0.000 1.129 331 Y CA -0.491 57.621 58.100 0.020 0.000 1.365 331 Y CB 0.205 38.711 38.460 0.077 0.000 1.233 331 Y HN 0.088 nan 8.280 nan 0.000 0.529 332 F N 4.911 124.986 119.950 0.208 0.000 2.506 332 F HA 0.105 4.633 4.527 0.002 0.000 0.351 332 F C -1.029 174.831 175.800 0.100 0.000 1.136 332 F CA -2.474 55.600 58.000 0.123 0.000 1.298 332 F CB -0.060 39.004 39.000 0.106 0.000 1.145 332 F HN 0.412 nan 8.300 nan 0.000 0.593 333 P HA -0.210 nan 4.420 nan 0.000 0.216 333 P C 0.761 178.188 177.300 0.212 0.000 1.154 333 P CA 1.797 65.002 63.100 0.175 0.000 0.865 333 P CB 0.137 31.949 31.700 0.186 0.000 0.789 334 E N -0.681 119.657 120.200 0.230 0.000 2.481 334 E HA -0.068 4.283 4.350 0.002 0.000 0.195 334 E C 1.495 178.275 176.600 0.300 0.000 1.047 334 E CA 0.529 57.065 56.400 0.227 0.000 0.867 334 E CB -0.609 29.156 29.700 0.109 0.000 0.858 334 E HN 0.456 nan 8.360 nan 0.000 0.513 335 E N 0.291 120.676 120.200 0.308 0.000 2.442 335 E HA 0.090 4.441 4.350 0.002 0.000 0.195 335 E C 0.018 176.715 176.600 0.162 0.000 1.030 335 E CA 0.104 56.692 56.400 0.314 0.000 0.869 335 E CB 0.314 30.233 29.700 0.365 0.000 0.857 335 E HN 0.291 nan 8.360 nan 0.000 0.505 336 I N 3.131 123.699 120.570 -0.003 0.000 2.312 336 I HA 0.132 4.303 4.170 0.002 0.000 0.290 336 I C -1.920 173.920 176.117 -0.462 0.000 1.008 336 I CA -2.156 58.851 61.300 -0.488 0.000 1.226 336 I CB 1.288 39.065 38.000 -0.372 0.000 1.371 336 I HN -0.219 nan 8.210 nan 0.000 0.468 337 P HA 0.219 nan 4.420 nan 0.000 0.258 337 P C -0.208 176.769 177.300 -0.537 0.000 1.559 337 P CA 0.481 62.857 63.100 -1.207 0.000 0.855 337 P CB -0.170 30.750 31.700 -1.300 0.000 1.594 338 I N -0.332 120.061 120.570 -0.295 0.000 2.569 338 I HA 0.377 4.548 4.170 0.002 0.000 0.296 338 I C -0.374 175.639 176.117 -0.174 0.000 1.028 338 I CA -0.795 60.420 61.300 -0.142 0.000 1.082 338 I CB 2.397 40.381 38.000 -0.027 0.000 1.264 338 I HN -0.239 nan 8.210 nan 0.000 0.429 339 D N 4.030 124.281 120.400 -0.249 0.000 2.502 339 D HA 0.469 5.111 4.640 0.002 0.000 0.249 339 D C -0.047 176.020 176.300 -0.389 0.000 1.092 339 D CA -0.479 53.320 54.000 -0.336 0.000 0.839 339 D CB 1.822 42.511 40.800 -0.185 0.000 1.264 339 D HN 0.295 nan 8.370 nan 0.000 0.511 340 V N 1.810 121.375 119.914 -0.582 0.000 3.006 340 V HA 0.512 4.634 4.120 0.002 0.000 0.357 340 V C 1.325 177.285 176.094 -0.224 0.000 1.377 340 V CA 0.205 62.271 62.300 -0.391 0.000 1.198 340 V CB 0.180 31.723 31.823 -0.466 0.000 1.216 340 V HN 0.513 nan 8.190 nan 0.000 0.520 341 A N 0.910 123.619 122.820 -0.185 0.000 2.067 341 A HA 0.446 4.768 4.320 0.002 0.000 0.217 341 A C 1.546 179.115 177.584 -0.025 0.000 1.156 341 A CA 0.942 52.934 52.037 -0.074 0.000 0.683 341 A CB -0.545 18.423 19.000 -0.054 0.000 0.808 341 A HN 0.832 nan 8.150 nan 0.000 0.455 342 G N -0.960 107.822 108.800 -0.029 0.000 2.527 342 G HA2 0.312 4.273 3.960 0.002 0.000 0.248 342 G HA3 0.312 4.273 3.960 0.002 0.000 0.248 342 G C 0.649 175.557 174.900 0.013 0.000 1.231 342 G CA 0.157 45.260 45.100 0.005 0.000 0.838 342 G HN 0.372 nan 8.290 nan 0.000 0.570 343 K N -0.120 120.298 120.400 0.029 0.000 1.978 343 K HA -0.096 4.225 4.320 0.002 0.000 0.214 343 K C 0.666 177.287 176.600 0.035 0.000 1.049 343 K CA 1.893 58.200 56.287 0.033 0.000 0.939 343 K CB 0.102 32.624 32.500 0.037 0.000 0.721 343 K HN 0.514 nan 8.250 nan 0.000 0.441 344 D N 0.592 121.015 120.400 0.039 0.000 2.892 344 D HA 0.139 4.781 4.640 0.002 0.000 0.291 344 D C -0.842 175.483 176.300 0.043 0.000 1.341 344 D CA 0.091 54.116 54.000 0.043 0.000 0.844 344 D CB 0.859 41.688 40.800 0.048 0.000 1.093 344 D HN 0.249 nan 8.370 nan 0.000 0.480 345 E N 0.455 120.668 120.200 0.021 0.000 2.366 345 E HA 0.636 4.987 4.350 0.002 0.000 0.278 345 E C -1.483 175.082 176.600 -0.057 0.000 0.923 345 E CA -0.862 55.541 56.400 0.006 0.000 0.761 345 E CB 2.778 32.490 29.700 0.020 0.000 1.231 345 E HN 0.118 nan 8.360 nan 0.000 0.443 346 A N 3.360 126.110 122.820 -0.116 0.000 2.332 346 A HA 0.515 4.837 4.320 0.002 0.000 0.300 346 A C -0.977 176.481 177.584 -0.211 0.000 1.153 346 A CA -0.827 51.077 52.037 -0.223 0.000 0.764 346 A CB 0.882 19.675 19.000 -0.345 0.000 1.174 346 A HN 0.263 nan 8.150 nan 0.000 0.467 347 K N 1.442 121.758 120.400 -0.140 0.000 2.130 347 K HA 0.308 4.629 4.320 0.002 0.000 0.268 347 K C -1.334 175.245 176.600 -0.036 0.000 0.983 347 K CA -0.394 55.853 56.287 -0.066 0.000 0.893 347 K CB 1.728 34.182 32.500 -0.076 0.000 1.066 347 K HN 0.684 nan 8.250 nan 0.000 0.450 348 Y N 3.150 123.386 120.300 -0.107 0.000 2.353 348 Y HA 0.177 4.729 4.550 0.002 0.000 0.340 348 Y C 0.635 176.417 175.900 -0.196 0.000 0.972 348 Y CA -0.607 57.402 58.100 -0.152 0.000 1.157 348 Y CB 0.385 38.814 38.460 -0.052 0.000 1.157 348 Y HN 0.582 nan 8.280 nan 0.000 0.495 349 L N 4.885 125.805 121.223 -0.504 0.000 2.465 349 L HA 0.036 4.377 4.340 0.002 0.000 0.224 349 L C 1.674 178.194 176.870 -0.584 0.000 1.145 349 L CA 1.079 55.599 54.840 -0.532 0.000 0.834 349 L CB -0.181 41.473 42.059 -0.675 0.000 0.944 349 L HN 0.831 nan 8.230 nan 0.000 0.451 350 A N -0.792 121.405 122.820 -1.039 0.000 2.465 350 A HA 0.574 4.895 4.320 0.002 0.000 0.255 350 A C 0.860 177.980 177.584 -0.773 0.000 1.274 350 A CA 0.470 52.079 52.037 -0.712 0.000 0.920 350 A CB 0.092 18.837 19.000 -0.426 0.000 1.033 350 A HN 0.383 nan 8.150 nan 0.000 0.516 351 G N -1.002 107.265 108.800 -0.890 0.000 2.565 351 G HA2 0.437 4.398 3.960 0.002 0.000 0.142 351 G HA3 0.437 4.398 3.960 0.002 0.000 0.142 351 G C -1.961 172.849 174.900 -0.150 0.000 1.181 351 G CA -0.442 44.444 45.100 -0.357 0.000 1.066 351 G HN 0.134 nan 8.290 nan 0.000 0.530 352 L N 1.176 122.437 121.223 0.063 0.000 2.334 352 L HA 0.568 4.909 4.340 0.002 0.000 0.276 352 L C -0.445 176.549 176.870 0.206 0.000 1.014 352 L CA -1.102 53.784 54.840 0.077 0.000 0.815 352 L CB 1.620 43.678 42.059 -0.001 0.000 1.268 352 L HN 0.705 nan 8.230 nan 0.000 0.428 353 H N 4.575 123.698 119.070 0.088 0.000 2.551 353 H HA 0.449 5.006 4.556 0.002 0.000 0.321 353 H C -1.102 174.236 175.328 0.016 0.000 1.028 353 H CA -0.522 55.565 56.048 0.066 0.000 1.215 353 H CB 0.979 30.784 29.762 0.070 0.000 1.414 353 H HN 0.493 nan 8.280 nan 0.000 0.480 354 I N 5.009 125.289 120.570 -0.485 0.000 2.297 354 I HA 0.021 4.192 4.170 0.002 0.000 0.291 354 I C 0.250 176.057 176.117 -0.518 0.000 1.033 354 I CA -0.518 60.555 61.300 -0.378 0.000 1.253 354 I CB 0.992 38.842 38.000 -0.252 0.000 1.396 354 I HN 0.484 nan 8.210 nan 0.000 0.476 355 D N 7.223 127.460 120.400 -0.273 0.000 2.365 355 D HA 0.179 4.820 4.640 0.002 0.000 0.237 355 D C 0.742 177.031 176.300 -0.017 0.000 1.190 355 D CA -0.085 53.892 54.000 -0.039 0.000 0.867 355 D CB 1.256 42.190 40.800 0.222 0.000 1.050 355 D HN 0.479 nan 8.370 nan 0.000 0.491 356 L N 3.914 125.126 121.223 -0.018 0.000 2.395 356 L HA -0.100 4.241 4.340 0.002 0.000 0.218 356 L C 1.847 178.660 176.870 -0.096 0.000 1.130 356 L CA 0.217 55.096 54.840 0.066 0.000 0.826 356 L CB -0.392 41.863 42.059 0.326 0.000 0.941 356 L HN 0.503 nan 8.230 nan 0.000 0.451 357 Y N 1.522 121.393 120.300 -0.715 0.000 2.114 357 Y HA -0.324 4.228 4.550 0.002 0.000 0.282 357 Y C 2.370 178.156 175.900 -0.190 0.000 1.165 357 Y CA 1.720 59.274 58.100 -0.909 0.000 1.148 357 Y CB -0.114 37.873 38.460 -0.788 0.000 0.972 357 Y HN -0.001 nan 8.280 nan 0.000 0.504 358 K N -1.153 119.114 120.400 -0.222 0.000 2.288 358 K HA -0.106 4.216 4.320 0.002 0.000 0.201 358 K C 1.866 178.485 176.600 0.032 0.000 1.048 358 K CA 1.030 57.233 56.287 -0.141 0.000 0.956 358 K CB -0.339 32.179 32.500 0.032 0.000 0.746 358 K HN 0.335 nan 8.250 nan 0.000 0.461 359 F N 0.316 120.197 119.950 -0.114 0.000 2.118 359 F HA -0.058 4.470 4.527 0.002 0.000 0.293 359 F C 1.452 177.203 175.800 -0.082 0.000 1.102 359 F CA 1.183 59.114 58.000 -0.115 0.000 1.247 359 F CB -0.178 38.641 39.000 -0.302 0.000 1.017 359 F HN -0.140 nan 8.300 nan 0.000 0.475 360 F N -1.076 118.905 119.950 0.053 0.000 2.325 360 F HA -0.059 4.469 4.527 0.002 0.000 0.299 360 F C 2.168 178.084 175.800 0.193 0.000 1.090 360 F CA 0.789 58.840 58.000 0.085 0.000 1.392 360 F CB -1.227 37.819 39.000 0.077 0.000 1.053 360 F HN 0.036 nan 8.300 nan 0.000 0.521 361 F N 0.874 120.792 119.950 -0.054 0.000 2.407 361 F HA -0.039 4.489 4.527 0.002 0.000 0.299 361 F C 1.392 177.006 175.800 -0.310 0.000 1.097 361 F CA 0.325 58.118 58.000 -0.345 0.000 1.422 361 F CB -0.370 38.170 39.000 -0.767 0.000 1.067 361 F HN -0.189 nan 8.300 nan 0.000 0.539 362 N N 1.843 120.440 118.700 -0.171 0.000 2.359 362 N HA -0.113 4.628 4.740 0.002 0.000 0.261 362 N C 0.954 176.248 175.510 -0.360 0.000 1.267 362 N CA 0.264 53.135 53.050 -0.299 0.000 0.864 362 N CB 0.742 39.059 38.487 -0.284 0.000 1.063 362 N HN 0.185 nan 8.380 nan 0.000 0.474 363 K N 3.655 123.791 120.400 -0.440 0.000 2.062 363 K HA -0.050 4.271 4.320 0.002 0.000 0.205 363 K C 1.628 177.989 176.600 -0.397 0.000 1.051 363 K CA 1.166 57.213 56.287 -0.401 0.000 0.941 363 K CB -0.603 31.663 32.500 -0.391 0.000 0.719 363 K HN 0.689 nan 8.250 nan 0.000 0.440 364 A N 1.080 123.650 122.820 -0.417 0.000 1.972 364 A HA -0.110 4.211 4.320 0.002 0.000 0.219 364 A C 2.461 179.879 177.584 -0.277 0.000 1.169 364 A CA 1.452 53.283 52.037 -0.344 0.000 0.635 364 A CB -0.541 18.222 19.000 -0.396 0.000 0.810 364 A HN 0.058 nan 8.150 nan 0.000 0.446 365 V N 0.195 119.938 119.914 -0.286 0.000 2.307 365 V HA -0.198 3.923 4.120 0.002 0.000 0.245 365 V C 2.723 178.841 176.094 0.040 0.000 1.045 365 V CA 2.011 64.233 62.300 -0.131 0.000 1.024 365 V CB -0.780 30.864 31.823 -0.298 0.000 0.651 365 V HN 0.630 nan 8.190 nan 0.000 0.449 366 R N 0.790 121.288 120.500 -0.003 0.000 2.070 366 R HA -0.166 4.175 4.340 0.002 0.000 0.233 366 R C 2.049 178.215 176.300 -0.223 0.000 1.137 366 R CA 2.203 58.262 56.100 -0.067 0.000 0.945 366 R CB -0.668 29.567 30.300 -0.108 0.000 0.845 366 R HN 0.523 nan 8.270 nan 0.000 0.430 367 N N -0.342 118.132 118.700 -0.377 0.000 2.135 367 N HA -0.123 4.619 4.740 0.002 0.000 0.186 367 N C 1.618 176.896 175.510 -0.388 0.000 1.027 367 N CA 1.398 54.137 53.050 -0.518 0.000 0.849 367 N CB -0.390 37.550 38.487 -0.911 0.000 1.002 367 N HN 0.311 nan 8.380 nan 0.000 0.425 368 Y N 0.066 120.327 120.300 -0.065 0.000 2.507 368 Y HA 0.447 4.998 4.550 0.002 0.000 0.263 368 Y C 2.089 177.962 175.900 -0.045 0.000 1.093 368 Y CA -0.196 57.878 58.100 -0.043 0.000 1.285 368 Y CB -0.473 37.954 38.460 -0.056 0.000 1.115 368 Y HN -0.016 nan 8.280 nan 0.000 0.533 369 A N -0.769 122.055 122.820 0.007 0.000 1.935 369 A HA 0.085 4.406 4.320 0.002 0.000 0.214 369 A C 0.845 178.186 177.584 -0.406 0.000 1.178 369 A CA 1.094 52.990 52.037 -0.236 0.000 0.640 369 A CB -0.537 18.220 19.000 -0.405 0.000 0.825 369 A HN 0.300 nan 8.150 nan 0.000 0.447 370 F N -0.246 119.812 119.950 0.180 0.000 2.764 370 F HA 0.315 4.844 4.527 0.002 0.000 0.310 370 F C 0.157 175.980 175.800 0.038 0.000 1.124 370 F CA -0.492 57.612 58.000 0.174 0.000 1.252 370 F CB -0.231 38.950 39.000 0.301 0.000 1.010 370 F HN 0.264 nan 8.300 nan 0.000 0.518 371 E N -0.098 120.173 120.200 0.118 0.000 2.440 371 E HA -0.241 4.110 4.350 0.002 0.000 0.246 371 E C 1.504 178.091 176.600 -0.021 0.000 1.165 371 E CA 0.638 57.072 56.400 0.057 0.000 0.726 371 E CB -1.431 28.326 29.700 0.095 0.000 1.271 371 E HN 0.679 nan 8.360 nan 0.000 0.397 372 G N -0.130 108.597 108.800 -0.122 0.000 2.187 372 G HA2 -0.439 3.522 3.960 0.002 0.000 0.261 372 G HA3 -0.439 3.522 3.960 0.002 0.000 0.261 372 G C 0.784 175.556 174.900 -0.214 0.000 1.000 372 G CA 0.936 45.907 45.100 -0.215 0.000 0.718 372 G HN 0.422 nan 8.290 nan 0.000 0.519 373 K N -1.079 119.229 120.400 -0.154 0.000 2.280 373 K HA 0.028 4.349 4.320 0.002 0.000 0.202 373 K C 0.856 177.430 176.600 -0.043 0.000 1.047 373 K CA 1.335 57.587 56.287 -0.059 0.000 0.942 373 K CB -0.063 32.463 32.500 0.043 0.000 0.739 373 K HN 0.819 nan 8.250 nan 0.000 0.457 374 Y N -1.984 118.260 120.300 -0.093 0.000 2.429 374 Y HA 0.426 4.978 4.550 0.002 0.000 0.342 374 Y C 0.243 176.011 175.900 -0.220 0.000 1.004 374 Y CA -1.380 56.621 58.100 -0.165 0.000 1.075 374 Y CB 0.824 39.165 38.460 -0.198 0.000 1.214 374 Y HN -0.246 nan 8.280 nan 0.000 0.455 375 N N 0.792 119.409 118.700 -0.139 0.000 2.273 375 N HA 0.122 4.864 4.740 0.002 0.000 0.192 375 N C -0.764 174.525 175.510 -0.369 0.000 1.132 375 N CA 0.089 53.003 53.050 -0.227 0.000 0.887 375 N CB 0.625 39.039 38.487 -0.123 0.000 1.048 375 N HN 0.797 nan 8.380 nan 0.000 0.490 376 E N -0.824 119.177 120.200 -0.332 0.000 2.244 376 E HA 0.313 4.665 4.350 0.002 0.000 0.266 376 E C -0.541 175.844 176.600 -0.359 0.000 0.914 376 E CA -0.541 55.664 56.400 -0.324 0.000 0.794 376 E CB 1.314 30.966 29.700 -0.080 0.000 1.210 376 E HN 0.080 nan 8.360 nan 0.000 0.414 377 Y N 0.109 120.589 120.300 0.299 0.000 2.507 377 Y HA 0.087 4.638 4.550 0.002 0.000 0.254 377 Y C 0.673 176.876 175.900 0.505 0.000 1.171 377 Y CA -0.641 57.705 58.100 0.411 0.000 1.238 377 Y CB 0.082 38.890 38.460 0.580 0.000 1.148 377 Y HN 0.410 nan 8.280 nan 0.000 0.525 378 N N 0.571 119.493 118.700 0.370 0.000 2.399 378 N HA -0.028 4.713 4.740 0.002 0.000 0.250 378 N C 1.176 176.638 175.510 -0.079 0.000 1.272 378 N CA -0.189 52.997 53.050 0.227 0.000 0.928 378 N CB 1.207 39.735 38.487 0.068 0.000 1.158 378 N HN 0.231 nan 8.380 nan 0.000 0.463 379 L N -0.107 120.833 121.223 -0.471 0.000 1.989 379 L HA -0.240 4.102 4.340 0.002 0.000 0.211 379 L C 1.776 178.334 176.870 -0.520 0.000 1.071 379 L CA 2.018 56.293 54.840 -0.941 0.000 0.749 379 L CB -0.493 41.055 42.059 -0.852 0.000 0.890 379 L HN 0.613 nan 8.230 nan 0.000 0.431 380 D N -0.544 119.658 120.400 -0.330 0.000 2.123 380 D HA -0.169 4.472 4.640 0.002 0.000 0.196 380 D C 2.102 178.271 176.300 -0.218 0.000 0.992 380 D CA 1.390 55.246 54.000 -0.240 0.000 0.833 380 D CB 0.104 40.810 40.800 -0.157 0.000 0.954 380 D HN 0.416 nan 8.370 nan 0.000 0.455 381 A N -0.213 122.495 122.820 -0.187 0.000 1.877 381 A HA -0.127 4.194 4.320 0.002 0.000 0.216 381 A C 2.490 179.933 177.584 -0.235 0.000 1.186 381 A CA 1.460 53.401 52.037 -0.159 0.000 0.620 381 A CB -0.717 18.221 19.000 -0.104 0.000 0.822 381 A HN 0.178 nan 8.150 nan 0.000 0.443 382 V N -0.248 119.442 119.914 -0.372 0.000 2.358 382 V HA -0.181 3.940 4.120 0.002 0.000 0.246 382 V C 3.031 178.784 176.094 -0.568 0.000 1.047 382 V CA 1.770 63.679 62.300 -0.652 0.000 1.035 382 V CB -1.155 30.192 31.823 -0.793 0.000 0.658 382 V HN 0.606 nan 8.190 nan 0.000 0.452 383 A N -0.130 122.409 122.820 -0.469 0.000 1.902 383 A HA -0.259 4.063 4.320 0.002 0.000 0.217 383 A C 2.340 179.728 177.584 -0.327 0.000 1.181 383 A CA 2.171 53.963 52.037 -0.408 0.000 0.623 383 A CB -0.468 18.322 19.000 -0.349 0.000 0.818 383 A HN 0.512 nan 8.150 nan 0.000 0.443 384 K N -0.374 119.872 120.400 -0.256 0.000 2.057 384 K HA -0.068 4.253 4.320 0.002 0.000 0.207 384 K C 2.097 178.589 176.600 -0.180 0.000 1.049 384 K CA 1.187 57.363 56.287 -0.187 0.000 0.931 384 K CB -0.292 32.124 32.500 -0.139 0.000 0.714 384 K HN 0.372 nan 8.250 nan 0.000 0.440 385 A N 0.672 123.381 122.820 -0.185 0.000 1.929 385 A HA -0.032 4.290 4.320 0.002 0.000 0.216 385 A C 1.902 179.376 177.584 -0.185 0.000 1.176 385 A CA 1.075 53.041 52.037 -0.118 0.000 0.628 385 A CB -0.200 18.810 19.000 0.017 0.000 0.816 385 A HN 0.313 nan 8.150 nan 0.000 0.444 386 L N -1.764 119.240 121.223 -0.366 0.000 2.575 386 L HA 0.233 4.575 4.340 0.002 0.000 0.228 386 L C 1.703 178.162 176.870 -0.685 0.000 1.075 386 L CA 0.228 54.710 54.840 -0.596 0.000 0.867 386 L CB 0.061 41.552 42.059 -0.947 0.000 1.097 386 L HN 0.275 nan 8.230 nan 0.000 0.485 387 L N -1.086 119.845 121.223 -0.487 0.000 2.717 387 L HA 0.391 4.733 4.340 0.002 0.000 0.239 387 L C 1.237 177.987 176.870 -0.199 0.000 1.086 387 L CA 0.436 55.065 54.840 -0.351 0.000 0.897 387 L CB 0.099 41.970 42.059 -0.315 0.000 1.214 387 L HN 0.264 nan 8.230 nan 0.000 0.508 388 G N 2.312 111.002 108.800 -0.183 0.000 2.246 388 G HA2 -0.268 3.694 3.960 0.002 0.000 0.273 388 G HA3 -0.268 3.694 3.960 0.002 0.000 0.273 388 G C 0.271 175.109 174.900 -0.104 0.000 1.055 388 G CA 0.572 45.599 45.100 -0.120 0.000 0.851 388 G HN 0.416 nan 8.290 nan 0.000 0.500 389 T N -2.016 112.462 114.554 -0.126 0.000 2.963 389 T HA 0.741 5.092 4.350 0.002 0.000 0.343 389 T C 0.424 175.062 174.700 -0.104 0.000 1.146 389 T CA 0.154 62.191 62.100 -0.104 0.000 1.016 389 T CB 1.707 70.509 68.868 -0.110 0.000 1.046 389 T HN 0.359 nan 8.240 nan 0.000 0.496 394 V N 1.997 121.896 119.914 -0.025 0.000 3.000 394 V HA 0.212 4.334 4.120 0.002 0.000 0.300 394 V C -0.578 175.461 176.094 -0.092 0.000 1.251 394 V CA -0.109 62.139 62.300 -0.088 0.000 0.972 394 V CB 1.817 33.532 31.823 -0.179 0.000 1.065 394 V HN 0.783 nan 8.190 nan 0.000 0.431 395 D N 2.746 123.083 120.400 -0.106 0.000 2.154 395 D HA 0.088 4.729 4.640 0.002 0.000 0.211 395 D C 0.891 177.117 176.300 -0.125 0.000 0.977 395 D CA 1.929 55.866 54.000 -0.105 0.000 0.869 395 D CB 0.324 41.061 40.800 -0.105 0.000 1.022 395 D HN 0.782 nan 8.370 nan 0.000 0.461 396 T N -1.465 113.004 114.554 -0.143 0.000 2.889 396 T HA 0.459 4.810 4.350 0.002 0.000 0.278 396 T C 0.168 174.806 174.700 -0.102 0.000 0.995 396 T CA -0.956 61.064 62.100 -0.134 0.000 0.966 396 T CB 0.739 69.492 68.868 -0.192 0.000 1.237 396 T HN 0.095 nan 8.240 nan 0.000 0.591 397 L N 0.066 121.268 121.223 -0.036 0.000 2.464 397 L HA 0.364 4.705 4.340 0.002 0.000 0.264 397 L C 1.213 178.051 176.870 -0.052 0.000 1.199 397 L CA -0.207 54.600 54.840 -0.055 0.000 0.818 397 L CB 0.078 42.119 42.059 -0.030 0.000 1.102 397 L HN 0.689 nan 8.230 nan 0.000 0.473 398 I N 0.708 121.213 120.570 -0.108 0.000 2.614 398 I HA -0.213 3.958 4.170 0.002 0.000 0.258 398 I C 2.241 178.353 176.117 -0.007 0.000 1.189 398 I CA 1.396 62.640 61.300 -0.093 0.000 1.462 398 I CB -0.468 37.484 38.000 -0.080 0.000 1.092 398 I HN 0.864 nan 8.210 nan 0.000 0.442 399 S N 0.047 115.733 115.700 -0.024 0.000 2.423 399 S HA -0.109 4.362 4.470 0.002 0.000 0.231 399 S C 1.895 176.506 174.600 0.018 0.000 1.014 399 S CA 0.735 58.925 58.200 -0.016 0.000 0.965 399 S CB -0.659 62.403 63.200 -0.230 0.000 0.785 399 S HN 0.353 nan 8.310 nan 0.000 0.495 400 F N 1.820 121.744 119.950 -0.043 0.000 2.416 400 F HA 0.450 4.978 4.527 0.002 0.000 0.296 400 F C 0.879 176.663 175.800 -0.026 0.000 1.099 400 F CA -0.818 57.163 58.000 -0.030 0.000 1.427 400 F CB -0.241 38.727 39.000 -0.054 0.000 1.079 400 F HN 0.102 nan 8.300 nan 0.000 0.536 401 L N 1.591 122.910 121.223 0.161 0.000 2.490 401 L HA 0.026 4.368 4.340 0.002 0.000 0.274 401 L C 0.620 177.537 176.870 0.079 0.000 1.201 401 L CA -0.296 54.590 54.840 0.077 0.000 0.869 401 L CB -0.071 41.990 42.059 0.004 0.000 1.123 401 L HN 0.160 nan 8.230 nan 0.000 0.484 402 D N 2.483 122.921 120.400 0.063 0.000 2.368 402 D HA -0.051 4.591 4.640 0.002 0.000 0.240 402 D C 1.067 177.395 176.300 0.048 0.000 1.169 402 D CA -0.436 53.596 54.000 0.054 0.000 0.906 402 D CB 1.662 42.487 40.800 0.042 0.000 1.187 402 D HN 0.299 nan 8.370 nan 0.000 0.435 403 V N 1.471 121.412 119.914 0.044 0.000 2.380 403 V HA -0.251 3.870 4.120 0.002 0.000 0.251 403 V C 2.322 178.445 176.094 0.049 0.000 1.063 403 V CA 2.567 64.895 62.300 0.047 0.000 1.055 403 V CB -0.636 31.210 31.823 0.038 0.000 0.657 403 V HN 0.722 nan 8.190 nan 0.000 0.455 404 E N -0.339 119.885 120.200 0.039 0.000 2.047 404 E HA -0.297 4.054 4.350 0.002 0.000 0.191 404 E C 2.281 178.913 176.600 0.053 0.000 0.987 404 E CA 1.755 58.178 56.400 0.038 0.000 0.799 404 E CB -0.113 29.603 29.700 0.026 0.000 0.752 404 E HN 0.654 nan 8.360 nan 0.000 0.449 405 K N 0.251 120.681 120.400 0.050 0.000 2.228 405 K HA -0.097 4.225 4.320 0.002 0.000 0.202 405 K C 2.236 178.895 176.600 0.098 0.000 1.051 405 K CA 0.433 56.756 56.287 0.060 0.000 0.960 405 K CB -0.069 32.446 32.500 0.025 0.000 0.743 405 K HN 0.078 nan 8.250 nan 0.000 0.458 406 L N 1.083 122.358 121.223 0.088 0.000 2.046 406 L HA -0.098 4.243 4.340 0.002 0.000 0.208 406 L C 1.739 178.711 176.870 0.169 0.000 1.077 406 L CA 1.632 56.548 54.840 0.126 0.000 0.747 406 L CB -0.181 41.935 42.059 0.095 0.000 0.896 406 L HN 0.212 nan 8.230 nan 0.000 0.432 407 I N -0.744 119.903 120.570 0.128 0.000 2.252 407 I HA -0.189 3.982 4.170 0.002 0.000 0.245 407 I C 2.490 178.705 176.117 0.163 0.000 1.102 407 I CA 0.988 62.365 61.300 0.127 0.000 1.385 407 I CB -0.386 37.661 38.000 0.078 0.000 1.064 407 I HN 0.286 nan 8.210 nan 0.000 0.414 408 E N 0.096 120.387 120.200 0.151 0.000 2.072 408 E HA -0.257 4.094 4.350 0.002 0.000 0.191 408 E C 2.058 178.776 176.600 0.196 0.000 0.985 408 E CA 1.431 57.932 56.400 0.168 0.000 0.801 408 E CB -0.258 29.517 29.700 0.124 0.000 0.750 408 E HN 0.538 nan 8.360 nan 0.000 0.452 409 Y N 1.878 122.216 120.300 0.064 0.000 2.242 409 Y HA -0.182 4.369 4.550 0.002 0.000 0.291 409 Y C 2.121 178.037 175.900 0.026 0.000 1.137 409 Y CA 1.808 59.926 58.100 0.030 0.000 1.181 409 Y CB -0.169 38.299 38.460 0.013 0.000 0.989 409 Y HN 0.001 nan 8.280 nan 0.000 0.527 410 N N 0.031 118.790 118.700 0.099 0.000 2.135 410 N HA -0.218 4.523 4.740 0.002 0.000 0.186 410 N C 1.755 177.250 175.510 -0.025 0.000 1.027 410 N CA 1.651 54.708 53.050 0.012 0.000 0.849 410 N CB -0.834 37.730 38.487 0.128 0.000 1.002 410 N HN 0.433 nan 8.380 nan 0.000 0.425 411 F N 1.817 121.741 119.950 -0.044 0.000 2.186 411 F HA 0.068 4.596 4.527 0.002 0.000 0.299 411 F C 2.466 178.219 175.800 -0.078 0.000 1.090 411 F CA 1.048 59.024 58.000 -0.041 0.000 1.307 411 F CB -0.346 38.648 39.000 -0.009 0.000 1.019 411 F HN -0.014 nan 8.300 nan 0.000 0.489 412 R N 0.655 121.045 120.500 -0.183 0.000 2.091 412 R HA -0.190 4.151 4.340 0.002 0.000 0.238 412 R C 1.777 177.845 176.300 -0.387 0.000 1.136 412 R CA 2.178 58.111 56.100 -0.279 0.000 0.959 412 R CB -0.875 29.339 30.300 -0.144 0.000 0.856 412 R HN 0.279 nan 8.270 nan 0.000 0.437 413 D N 0.174 120.336 120.400 -0.398 0.000 2.104 413 D HA -0.150 4.492 4.640 0.002 0.000 0.194 413 D C 1.713 177.826 176.300 -0.312 0.000 0.994 413 D CA 1.733 55.513 54.000 -0.367 0.000 0.830 413 D CB -0.272 40.311 40.800 -0.362 0.000 0.959 413 D HN 0.380 nan 8.370 nan 0.000 0.452 414 A N 0.657 123.276 122.820 -0.334 0.000 1.930 414 A HA -0.171 4.150 4.320 0.002 0.000 0.217 414 A C 2.098 179.448 177.584 -0.391 0.000 1.175 414 A CA 1.550 53.411 52.037 -0.293 0.000 0.627 414 A CB -0.454 18.409 19.000 -0.228 0.000 0.815 414 A HN 0.258 nan 8.150 nan 0.000 0.443 415 E N -0.226 119.576 120.200 -0.663 0.000 2.106 415 E HA -0.136 4.216 4.350 0.002 0.000 0.192 415 E C 1.720 178.146 176.600 -0.291 0.000 0.984 415 E CA 1.002 57.049 56.400 -0.589 0.000 0.806 415 E CB -0.098 29.117 29.700 -0.809 0.000 0.750 415 E HN 0.510 nan 8.360 nan 0.000 0.458 416 I N 1.167 121.568 120.570 -0.282 0.000 2.394 416 I HA -0.174 3.998 4.170 0.002 0.000 0.251 416 I C 2.188 178.216 176.117 -0.149 0.000 1.136 416 I CA 1.119 62.293 61.300 -0.210 0.000 1.425 416 I CB -1.070 36.774 38.000 -0.259 0.000 1.079 416 I HN 0.181 nan 8.210 nan 0.000 0.425 417 T N 1.620 116.094 114.554 -0.132 0.000 2.777 417 T HA -0.141 4.210 4.350 0.002 0.000 0.266 417 T C 1.953 176.674 174.700 0.034 0.000 1.040 417 T CA 1.013 63.109 62.100 -0.007 0.000 1.141 417 T CB -0.355 68.523 68.868 0.016 0.000 0.868 417 T HN 0.173 nan 8.240 nan 0.000 0.444 418 L N 1.210 122.416 121.223 -0.028 0.000 2.046 418 L HA -0.042 4.299 4.340 0.002 0.000 0.208 418 L C 2.402 179.300 176.870 0.047 0.000 1.077 418 L CA 1.801 56.640 54.840 -0.002 0.000 0.747 418 L CB -0.731 41.307 42.059 -0.036 0.000 0.896 418 L HN 0.206 nan 8.230 nan 0.000 0.432 419 Q N -0.850 118.969 119.800 0.031 0.000 2.226 419 Q HA -0.122 4.220 4.340 0.002 0.000 0.204 419 Q C 2.111 178.246 176.000 0.225 0.000 0.975 419 Q CA 1.149 57.004 55.803 0.088 0.000 0.866 419 Q CB -0.175 28.573 28.738 0.017 0.000 0.915 419 Q HN 0.542 nan 8.270 nan 0.000 0.440 420 L N -0.533 120.807 121.223 0.195 0.000 2.642 420 L HA -0.124 4.218 4.340 0.002 0.000 0.236 420 L C 1.533 178.732 176.870 0.548 0.000 1.169 420 L CA 0.736 55.802 54.840 0.376 0.000 0.851 420 L CB 0.089 42.311 42.059 0.271 0.000 0.968 420 L HN 0.118 nan 8.230 nan 0.000 0.453 421 T N -3.074 111.661 114.554 0.302 0.000 3.043 421 T HA 0.046 4.397 4.350 0.002 0.000 0.272 421 T C 1.493 176.212 174.700 0.031 0.000 0.990 421 T CA 0.274 62.456 62.100 0.136 0.000 0.897 421 T CB 0.575 69.494 68.868 0.085 0.000 1.111 421 T HN 0.087 nan 8.240 nan 0.000 0.529 422 T N 1.134 115.742 114.554 0.089 0.000 2.964 422 T HA 0.344 4.695 4.350 0.002 0.000 0.250 422 T C 0.164 174.895 174.700 0.051 0.000 0.982 422 T CA -0.435 61.696 62.100 0.052 0.000 0.959 422 T CB 0.029 68.948 68.868 0.085 0.000 1.141 422 T HN 0.426 nan 8.240 nan 0.000 0.494 423 F N 2.564 122.545 119.950 0.051 0.000 2.518 423 F HA 0.429 4.958 4.527 0.002 0.000 0.359 423 F C 0.303 176.150 175.800 0.078 0.000 1.118 423 F CA -1.149 56.883 58.000 0.052 0.000 1.287 423 F CB -0.212 38.811 39.000 0.038 0.000 1.132 423 F HN 0.005 nan 8.300 nan 0.000 0.587 424 N N 1.829 120.592 118.700 0.106 0.000 2.746 424 N HA -0.297 4.445 4.740 0.002 0.000 0.250 424 N C -0.698 174.780 175.510 -0.054 0.000 1.055 424 N CA 1.079 54.147 53.050 0.030 0.000 0.699 424 N CB -2.002 36.516 38.487 0.052 0.000 0.919 424 N HN 0.914 nan 8.380 nan 0.000 0.548 425 N N 0.081 118.764 118.700 -0.028 0.000 2.714 425 N HA -0.200 4.541 4.740 0.002 0.000 0.253 425 N C -1.086 174.374 175.510 -0.083 0.000 1.024 425 N CA 0.875 53.901 53.050 -0.039 0.000 0.726 425 N CB -0.550 37.923 38.487 -0.024 0.000 0.908 425 N HN 0.506 nan 8.380 nan 0.000 0.542 426 D N -2.505 117.827 120.400 -0.113 0.000 2.907 426 D HA -0.212 4.429 4.640 0.002 0.000 0.226 426 D C 1.131 177.318 176.300 -0.188 0.000 1.141 426 D CA 0.913 54.829 54.000 -0.139 0.000 0.779 426 D CB -1.142 39.595 40.800 -0.106 0.000 1.095 426 D HN 0.411 nan 8.370 nan 0.000 0.430 427 L N 0.871 121.940 121.223 -0.257 0.000 2.010 427 L HA -0.247 4.095 4.340 0.002 0.000 0.219 427 L C 2.629 179.406 176.870 -0.155 0.000 1.077 427 L CA 3.181 57.892 54.840 -0.215 0.000 0.773 427 L CB -1.046 40.854 42.059 -0.264 0.000 0.892 427 L HN 0.408 nan 8.230 nan 0.000 0.436 428 T N -2.812 111.659 114.554 -0.137 0.000 2.985 428 T HA -0.124 4.227 4.350 0.002 0.000 0.266 428 T C 1.898 176.505 174.700 -0.155 0.000 1.076 428 T CA 1.041 63.163 62.100 0.037 0.000 1.135 428 T CB -0.156 68.933 68.868 0.369 0.000 0.890 428 T HN 0.237 nan 8.240 nan 0.000 0.480 429 M N 1.216 120.709 119.600 -0.179 0.000 2.117 429 M HA 0.057 4.538 4.480 0.002 0.000 0.262 429 M C 2.183 178.329 176.300 -0.256 0.000 1.065 429 M CA 1.608 56.770 55.300 -0.230 0.000 1.114 429 M CB -0.888 31.594 32.600 -0.196 0.000 1.361 429 M HN 0.383 nan 8.290 nan 0.000 0.408 430 K N -0.022 120.243 120.400 -0.226 0.000 2.057 430 K HA -0.041 4.280 4.320 0.002 0.000 0.206 430 K C 2.082 178.494 176.600 -0.312 0.000 1.050 430 K CA 0.922 57.070 56.287 -0.231 0.000 0.935 430 K CB -0.254 32.140 32.500 -0.177 0.000 0.715 430 K HN 0.247 nan 8.250 nan 0.000 0.439 431 L N 0.876 121.879 121.223 -0.366 0.000 2.012 431 L HA -0.230 4.111 4.340 0.002 0.000 0.210 431 L C 2.363 178.658 176.870 -0.960 0.000 1.073 431 L CA 1.345 55.749 54.840 -0.726 0.000 0.748 431 L CB -0.459 41.285 42.059 -0.525 0.000 0.891 431 L HN 0.206 nan 8.230 nan 0.000 0.431 432 I N -1.137 119.119 120.570 -0.523 0.000 2.179 432 I HA -0.270 3.902 4.170 0.002 0.000 0.242 432 I C 2.474 178.419 176.117 -0.287 0.000 1.088 432 I CA 1.048 62.128 61.300 -0.366 0.000 1.357 432 I CB -0.268 37.468 38.000 -0.440 0.000 1.051 432 I HN 0.005 nan 8.210 nan 0.000 0.409 433 V N 0.912 120.651 119.914 -0.291 0.000 2.343 433 V HA -0.269 3.852 4.120 0.002 0.000 0.247 433 V C 2.359 178.343 176.094 -0.184 0.000 1.051 433 V CA 1.743 63.909 62.300 -0.223 0.000 1.036 433 V CB -0.369 31.317 31.823 -0.229 0.000 0.654 433 V HN 0.348 nan 8.190 nan 0.000 0.451 434 L N -1.529 119.566 121.223 -0.213 0.000 2.141 434 L HA -0.112 4.229 4.340 0.002 0.000 0.209 434 L C 2.344 179.232 176.870 0.030 0.000 1.094 434 L CA 1.252 56.021 54.840 -0.118 0.000 0.763 434 L CB -0.495 41.501 42.059 -0.106 0.000 0.908 434 L HN 0.234 nan 8.230 nan 0.000 0.437 435 F N -0.395 119.534 119.950 -0.034 0.000 2.171 435 F HA -0.168 4.361 4.527 0.002 0.000 0.300 435 F C 2.759 178.438 175.800 -0.201 0.000 1.090 435 F CA 0.923 58.908 58.000 -0.024 0.000 1.293 435 F CB -1.284 37.583 39.000 -0.221 0.000 1.013 435 F HN -0.022 nan 8.300 nan 0.000 0.486 436 S N -0.247 115.414 115.700 -0.067 0.000 2.368 436 S HA -0.156 4.316 4.470 0.002 0.000 0.225 436 S C 2.139 176.632 174.600 -0.179 0.000 1.030 436 S CA 0.979 59.090 58.200 -0.148 0.000 0.999 436 S CB -0.194 62.922 63.200 -0.140 0.000 0.844 436 S HN 0.315 nan 8.310 nan 0.000 0.459 437 R N 0.364 120.746 120.500 -0.195 0.000 2.075 437 R HA 0.057 4.399 4.340 0.002 0.000 0.232 437 R C 2.164 178.179 176.300 -0.476 0.000 1.126 437 R CA 1.251 57.163 56.100 -0.314 0.000 0.963 437 R CB -0.381 29.736 30.300 -0.304 0.000 0.858 437 R HN 0.392 nan 8.270 nan 0.000 0.435 438 I N 0.315 120.651 120.570 -0.389 0.000 2.286 438 I HA -0.213 3.959 4.170 0.002 0.000 0.245 438 I C 2.288 178.108 176.117 -0.496 0.000 1.104 438 I CA 1.348 62.317 61.300 -0.552 0.000 1.397 438 I CB -0.143 37.501 38.000 -0.594 0.000 1.072 438 I HN 0.181 nan 8.210 nan 0.000 0.417 439 S N 0.162 115.718 115.700 -0.239 0.000 2.527 439 S HA -0.000 4.471 4.470 0.002 0.000 0.222 439 S C 1.200 175.737 174.600 -0.104 0.000 0.985 439 S CA -0.103 58.083 58.200 -0.022 0.000 0.921 439 S CB -0.052 63.246 63.200 0.164 0.000 0.772 439 S HN 0.317 nan 8.310 nan 0.000 0.529 440 R N -0.190 120.144 120.500 -0.276 0.000 3.847 440 R HA -0.104 4.237 4.340 0.002 0.000 0.304 440 R C -0.679 175.602 176.300 -0.032 0.000 1.203 440 R CA 0.830 56.775 56.100 -0.258 0.000 0.835 440 R CB -2.573 27.412 30.300 -0.525 0.000 1.253 440 R HN 0.522 nan 8.270 nan 0.000 0.516 441 L N -0.270 120.937 121.223 -0.028 0.000 2.350 441 L HA 0.442 4.784 4.340 0.002 0.000 0.275 441 L C 1.492 178.332 176.870 -0.050 0.000 1.099 441 L CA -0.118 54.729 54.840 0.011 0.000 0.808 441 L CB 1.158 43.212 42.059 -0.008 0.000 1.149 441 L HN 0.258 nan 8.230 nan 0.000 0.442 442 G N 1.433 110.216 108.800 -0.029 0.000 2.569 442 G HA2 0.255 4.216 3.960 0.002 0.000 0.249 442 G HA3 0.255 4.216 3.960 0.002 0.000 0.249 442 G C 0.851 175.693 174.900 -0.097 0.000 1.216 442 G CA -0.463 44.593 45.100 -0.073 0.000 0.845 442 G HN 0.573 nan 8.290 nan 0.000 0.568 443 I N 0.223 120.727 120.570 -0.110 0.000 2.151 443 I HA -0.184 3.988 4.170 0.002 0.000 0.243 443 I C 2.679 178.739 176.117 -0.095 0.000 1.080 443 I CA 1.622 62.847 61.300 -0.125 0.000 1.339 443 I CB -0.244 37.670 38.000 -0.143 0.000 1.039 443 I HN 0.698 nan 8.210 nan 0.000 0.409 444 E N -0.422 119.729 120.200 -0.082 0.000 2.150 444 E HA -0.251 4.100 4.350 0.002 0.000 0.193 444 E C 2.119 178.720 176.600 0.002 0.000 0.985 444 E CA 1.064 57.439 56.400 -0.042 0.000 0.814 444 E CB -0.106 29.565 29.700 -0.049 0.000 0.752 444 E HN 0.552 nan 8.360 nan 0.000 0.466 445 E N 0.843 121.037 120.200 -0.011 0.000 2.107 445 E HA -0.162 4.189 4.350 0.002 0.000 0.191 445 E C 2.184 178.862 176.600 0.130 0.000 0.982 445 E CA 0.338 56.782 56.400 0.073 0.000 0.809 445 E CB 0.078 29.844 29.700 0.110 0.000 0.756 445 E HN 0.148 nan 8.360 nan 0.000 0.459 446 L N 0.941 122.192 121.223 0.047 0.000 2.056 446 L HA -0.120 4.222 4.340 0.002 0.000 0.207 446 L C 2.472 179.512 176.870 0.283 0.000 1.078 446 L CA 2.248 57.092 54.840 0.006 0.000 0.749 446 L CB -0.503 41.357 42.059 -0.331 0.000 0.901 446 L HN 0.243 nan 8.230 nan 0.000 0.433 447 T N -3.680 110.987 114.554 0.188 0.000 3.113 447 T HA -0.045 4.306 4.350 0.002 0.000 0.263 447 T C 1.622 176.483 174.700 0.269 0.000 1.143 447 T CA 0.656 62.929 62.100 0.289 0.000 1.090 447 T CB -0.371 68.536 68.868 0.064 0.000 0.922 447 T HN 0.410 nan 8.240 nan 0.000 0.521 448 R N 1.229 121.867 120.500 0.230 0.000 2.472 448 R HA 0.232 4.573 4.340 0.002 0.000 0.279 448 R C 0.090 176.509 176.300 0.199 0.000 0.953 448 R CA 0.061 56.272 56.100 0.185 0.000 1.088 448 R CB 0.800 31.185 30.300 0.142 0.000 1.197 448 R HN 0.557 nan 8.270 nan 0.000 0.536 449 T N -2.511 112.218 114.554 0.291 0.000 2.916 449 T HA 0.394 4.745 4.350 0.002 0.000 0.292 449 T C -0.115 174.631 174.700 0.077 0.000 1.055 449 T CA -1.013 61.228 62.100 0.234 0.000 1.009 449 T CB 2.392 71.456 68.868 0.327 0.000 1.118 449 T HN -0.086 nan 8.240 nan 0.000 0.497 450 E N 0.342 120.485 120.200 -0.095 0.000 2.392 450 E HA 0.228 4.579 4.350 0.002 0.000 0.259 450 E C 0.946 177.104 176.600 -0.736 0.000 1.108 450 E CA -0.424 55.764 56.400 -0.354 0.000 0.916 450 E CB 1.171 30.726 29.700 -0.243 0.000 0.989 450 E HN 0.617 nan 8.360 nan 0.000 0.432 451 I N 1.772 121.708 120.570 -1.057 0.000 2.530 451 I HA -0.295 3.876 4.170 0.002 0.000 0.257 451 I C 2.130 177.932 176.117 -0.525 0.000 1.179 451 I CA 1.390 61.956 61.300 -1.223 0.000 1.440 451 I CB 0.018 37.410 38.000 -1.014 0.000 1.087 451 I HN 0.498 nan 8.210 nan 0.000 0.440 452 S N -1.428 114.057 115.700 -0.357 0.000 2.406 452 S HA -0.145 4.326 4.470 0.002 0.000 0.228 452 S C 1.881 176.524 174.600 0.072 0.000 1.020 452 S CA 1.430 59.515 58.200 -0.191 0.000 0.965 452 S CB -0.733 62.364 63.200 -0.173 0.000 0.798 452 S HN 0.418 nan 8.310 nan 0.000 0.488 453 T N 1.003 115.582 114.554 0.042 0.000 2.821 453 T HA -0.034 4.318 4.350 0.002 0.000 0.267 453 T C 1.221 176.121 174.700 0.334 0.000 1.046 453 T CA 1.332 63.533 62.100 0.169 0.000 1.139 453 T CB -0.395 68.582 68.868 0.182 0.000 0.871 453 T HN 0.580 nan 8.240 nan 0.000 0.454 454 W N 0.924 122.275 121.300 0.085 0.000 2.363 454 W HA 0.041 4.703 4.660 0.002 0.000 0.296 454 W C 2.289 178.986 176.519 0.297 0.000 1.212 454 W CA -0.340 57.108 57.345 0.171 0.000 1.260 454 W CB -1.555 27.973 29.460 0.113 0.000 1.131 454 W HN 0.094 nan 8.180 nan 0.000 0.530 455 V N 0.660 120.866 119.914 0.487 0.000 2.346 455 V HA -0.223 3.898 4.120 0.002 0.000 0.244 455 V C 2.543 178.949 176.094 0.519 0.000 1.037 455 V CA 1.881 64.491 62.300 0.517 0.000 1.029 455 V CB -0.808 31.148 31.823 0.222 0.000 0.663 455 V HN 0.068 nan 8.190 nan 0.000 0.454 456 K N 0.557 121.187 120.400 0.383 0.000 2.074 456 K HA -0.291 4.030 4.320 0.002 0.000 0.209 456 K C 2.034 178.617 176.600 -0.028 0.000 1.048 456 K CA 2.123 58.442 56.287 0.053 0.000 0.926 456 K CB -0.381 31.979 32.500 -0.233 0.000 0.713 456 K HN 0.498 nan 8.250 nan 0.000 0.444 457 N N 0.997 119.791 118.700 0.156 0.000 2.216 457 N HA -0.138 4.604 4.740 0.002 0.000 0.183 457 N C 2.026 177.740 175.510 0.339 0.000 1.017 457 N CA 0.509 53.714 53.050 0.259 0.000 0.861 457 N CB -0.037 38.637 38.487 0.312 0.000 0.986 457 N HN 0.246 nan 8.380 nan 0.000 0.428 458 L N 0.332 121.753 121.223 0.330 0.000 2.013 458 L HA -0.231 4.111 4.340 0.002 0.000 0.212 458 L C 1.719 178.795 176.870 0.344 0.000 1.073 458 L CA 1.717 56.714 54.840 0.263 0.000 0.753 458 L CB -0.572 41.654 42.059 0.278 0.000 0.890 458 L HN 0.228 nan 8.230 nan 0.000 0.432 459 Y N -1.709 118.802 120.300 0.353 0.000 2.337 459 Y HA -0.212 4.339 4.550 0.002 0.000 0.293 459 Y C 2.398 178.568 175.900 0.450 0.000 1.123 459 Y CA 1.170 59.545 58.100 0.457 0.000 1.201 459 Y CB -0.340 38.431 38.460 0.519 0.000 1.011 459 Y HN 0.150 nan 8.280 nan 0.000 0.545 460 Y N -2.023 118.352 120.300 0.124 0.000 2.200 460 Y HA -0.298 4.253 4.550 0.003 0.000 0.290 460 Y C 2.232 177.863 175.900 -0.449 0.000 1.137 460 Y CA 0.724 58.669 58.100 -0.258 0.000 1.163 460 Y CB -1.395 36.817 38.460 -0.414 0.000 0.988 460 Y HN 0.285 nan 8.280 nan 0.000 0.518 461 W N 1.447 122.488 121.300 -0.432 0.000 2.335 461 W HA -0.205 4.457 4.660 0.003 0.000 0.311 461 W C 2.107 178.566 176.519 -0.101 0.000 1.213 461 W CA 2.128 59.296 57.345 -0.294 0.000 1.274 461 W CB 0.044 29.509 29.460 0.009 0.000 1.148 461 W HN -0.058 nan 8.180 nan 0.000 0.498 462 E N -0.837 119.615 120.200 0.420 0.000 2.152 462 E HA -0.209 4.143 4.350 0.002 0.000 0.192 462 E C 1.726 178.271 176.600 -0.093 0.000 0.983 462 E CA 1.518 58.049 56.400 0.217 0.000 0.818 462 E CB -0.801 29.002 29.700 0.172 0.000 0.758 462 E HN 0.483 nan 8.360 nan 0.000 0.467 463 H N 0.490 119.485 119.070 -0.124 0.000 2.319 463 H HA -0.084 4.474 4.556 0.002 0.000 0.299 463 H C 2.216 177.436 175.328 -0.180 0.000 1.092 463 H CA 1.971 57.924 56.048 -0.158 0.000 1.302 463 H CB -0.011 29.794 29.762 0.070 0.000 1.373 463 H HN -0.076 nan 8.280 nan 0.000 0.497 464 R N 1.263 121.728 120.500 -0.058 0.000 2.092 464 R HA -0.074 4.267 4.340 0.002 0.000 0.231 464 R C 2.133 178.304 176.300 -0.215 0.000 1.119 464 R CA 1.489 57.520 56.100 -0.114 0.000 0.970 464 R CB -0.171 30.043 30.300 -0.143 0.000 0.864 464 R HN 0.275 nan 8.270 nan 0.000 0.440 465 K N -0.198 119.986 120.400 -0.361 0.000 2.152 465 K HA -0.146 4.175 4.320 0.002 0.000 0.206 465 K C 1.731 178.176 176.600 -0.259 0.000 1.048 465 K CA 1.551 57.610 56.287 -0.380 0.000 0.933 465 K CB 0.004 32.226 32.500 -0.463 0.000 0.721 465 K HN 0.065 nan 8.250 nan 0.000 0.447 466 R N -0.019 120.297 120.500 -0.306 0.000 2.297 466 R HA 0.100 4.441 4.340 0.002 0.000 0.197 466 R C -0.021 176.229 176.300 -0.083 0.000 0.943 466 R CA 0.733 56.633 56.100 -0.334 0.000 1.038 466 R CB 0.044 29.804 30.300 -0.900 0.000 0.957 466 R HN 0.418 nan 8.270 nan 0.000 0.484 467 N N -2.441 116.236 118.700 -0.037 0.000 2.850 467 N HA -0.159 4.582 4.740 0.002 0.000 0.249 467 N C -1.273 174.353 175.510 0.193 0.000 1.060 467 N CA 0.413 53.489 53.050 0.044 0.000 0.825 467 N CB -0.745 37.741 38.487 -0.001 0.000 1.132 467 N HN 0.148 nan 8.380 nan 0.000 0.564 468 W N 1.484 122.744 121.300 -0.067 0.000 2.238 468 W HA 0.406 5.068 4.660 0.002 0.000 0.321 468 W C 0.656 177.233 176.519 0.096 0.000 1.293 468 W CA -0.779 56.572 57.345 0.009 0.000 1.204 468 W CB -0.061 29.391 29.460 -0.014 0.000 1.167 468 W HN 0.040 nan 8.180 nan 0.000 0.553 469 L N 4.876 126.275 121.223 0.293 0.000 2.455 469 L HA 0.185 4.527 4.340 0.002 0.000 0.272 469 L C -0.090 176.962 176.870 0.304 0.000 1.174 469 L CA 0.106 55.078 54.840 0.220 0.000 0.869 469 L CB -0.052 42.122 42.059 0.191 0.000 1.130 469 L HN 0.271 nan 8.230 nan 0.000 0.474 470 I N 8.294 128.940 120.570 0.126 0.000 2.396 470 I HA 0.234 4.405 4.170 0.002 0.000 0.289 470 I C -1.739 174.415 176.117 0.062 0.000 1.056 470 I CA -1.472 59.781 61.300 -0.079 0.000 1.365 470 I CB 0.627 38.314 38.000 -0.522 0.000 1.407 470 I HN 0.618 nan 8.210 nan 0.000 0.509 471 P HA 0.204 nan 4.420 nan 0.000 0.276 471 P C -0.579 176.796 177.300 0.126 0.000 1.244 471 P CA -0.480 62.749 63.100 0.214 0.000 0.801 471 P CB 1.028 32.868 31.700 0.234 0.000 1.006 472 L N 1.980 123.310 121.223 0.178 0.000 2.439 472 L HA 0.114 4.455 4.340 0.002 0.000 0.269 472 L C 2.234 179.118 176.870 0.023 0.000 1.179 472 L CA -0.084 54.782 54.840 0.043 0.000 0.828 472 L CB 0.201 42.245 42.059 -0.026 0.000 1.106 472 L HN 0.529 nan 8.230 nan 0.000 0.467 473 K N 1.462 121.847 120.400 -0.025 0.000 2.063 473 K HA -0.207 4.114 4.320 0.002 0.000 0.208 473 K C 1.587 178.204 176.600 0.029 0.000 1.048 473 K CA 1.871 58.153 56.287 -0.008 0.000 0.928 473 K CB 0.184 32.661 32.500 -0.038 0.000 0.713 473 K HN 0.610 nan 8.250 nan 0.000 0.442 474 E N 0.691 120.895 120.200 0.007 0.000 2.049 474 E HA -0.217 4.135 4.350 0.002 0.000 0.198 474 E C 1.860 178.486 176.600 0.043 0.000 1.007 474 E CA 1.879 58.290 56.400 0.018 0.000 0.809 474 E CB -0.076 29.619 29.700 -0.009 0.000 0.749 474 E HN 0.397 nan 8.360 nan 0.000 0.450 475 E N 0.199 120.434 120.200 0.057 0.000 2.153 475 E HA -0.158 4.193 4.350 0.002 0.000 0.194 475 E C 2.084 178.752 176.600 0.114 0.000 0.988 475 E CA 0.745 57.195 56.400 0.084 0.000 0.811 475 E CB -0.141 29.640 29.700 0.136 0.000 0.746 475 E HN 0.310 nan 8.360 nan 0.000 0.466 476 I N 0.866 121.525 120.570 0.149 0.000 2.315 476 I HA -0.251 3.920 4.170 0.002 0.000 0.248 476 I C 2.211 178.416 176.117 0.145 0.000 1.117 476 I CA 0.592 62.017 61.300 0.209 0.000 1.404 476 I CB -0.083 38.025 38.000 0.180 0.000 1.071 476 I HN 0.160 nan 8.210 nan 0.000 0.419 477 L N 0.490 121.776 121.223 0.105 0.000 1.994 477 L HA -0.188 4.153 4.340 0.002 0.000 0.208 477 L C 2.817 179.724 176.870 0.062 0.000 1.071 477 L CA 2.208 57.100 54.840 0.085 0.000 0.745 477 L CB -1.386 40.724 42.059 0.085 0.000 0.892 477 L HN 0.250 nan 8.230 nan 0.000 0.431 478 A N -0.618 122.230 122.820 0.046 0.000 1.968 478 A HA -0.160 4.161 4.320 0.002 0.000 0.217 478 A C 2.185 179.767 177.584 -0.003 0.000 1.169 478 A CA 1.091 53.140 52.037 0.019 0.000 0.638 478 A CB -0.257 18.749 19.000 0.011 0.000 0.812 478 A HN 0.313 nan 8.150 nan 0.000 0.446 479 K N -0.220 120.173 120.400 -0.012 0.000 2.459 479 K HA 0.107 4.428 4.320 0.002 0.000 0.193 479 K C 1.652 178.243 176.600 -0.015 0.000 1.030 479 K CA 0.612 56.846 56.287 -0.088 0.000 1.026 479 K CB 0.081 32.427 32.500 -0.256 0.000 0.809 479 K HN 0.372 nan 8.250 nan 0.000 0.504 480 S N 0.767 116.497 115.700 0.051 0.000 2.425 480 S HA 0.019 4.491 4.470 0.002 0.000 0.225 480 S C 0.389 175.019 174.600 0.049 0.000 1.024 480 S CA 0.112 58.357 58.200 0.075 0.000 0.951 480 S CB 0.191 63.444 63.200 0.088 0.000 0.796 480 S HN 0.189 nan 8.310 nan 0.000 0.498 481 S N 3.027 118.745 115.700 0.029 0.000 2.593 481 S HA 0.095 4.566 4.470 0.002 0.000 0.300 481 S C 0.290 174.894 174.600 0.006 0.000 1.267 481 S CA -0.082 58.128 58.200 0.017 0.000 1.065 481 S CB -0.278 62.926 63.200 0.007 0.000 0.807 481 S HN 0.631 nan 8.310 nan 0.000 0.499 498 V N -2.172 117.746 119.914 0.006 0.000 3.080 498 V HA 0.943 5.064 4.120 0.002 0.000 0.311 498 V C 0.274 176.367 176.094 -0.003 0.000 1.389 498 V CA -0.350 61.954 62.300 0.008 0.000 1.049 498 V CB 1.024 32.855 31.823 0.013 0.000 1.078 498 V HN 1.476 nan 8.190 nan 0.000 0.468 499 V N 0.052 119.963 119.914 -0.005 0.000 2.863 499 V HA 0.737 4.859 4.120 0.002 0.000 0.307 499 V C 0.302 176.380 176.094 -0.026 0.000 1.061 499 V CA -0.356 61.926 62.300 -0.029 0.000 1.024 499 V CB 1.095 32.888 31.823 -0.051 0.000 1.049 499 V HN 1.422 nan 8.190 nan 0.000 0.471 500 I N 1.442 121.980 120.570 -0.052 0.000 2.496 500 I HA 0.544 4.716 4.170 0.002 0.000 0.285 500 I C 0.046 176.160 176.117 -0.005 0.000 1.080 500 I CA -0.144 61.133 61.300 -0.038 0.000 1.404 500 I CB 0.308 38.276 38.000 -0.053 0.000 1.403 500 I HN 0.885 nan 8.210 nan 0.000 0.539 501 D N 6.718 127.125 120.400 0.013 0.000 2.329 501 D HA 0.490 5.132 4.640 0.002 0.000 0.246 501 D C -2.592 173.694 176.300 -0.025 0.000 1.111 501 D CA -1.871 52.157 54.000 0.047 0.000 0.941 501 D CB 0.423 41.229 40.800 0.010 0.000 1.169 501 D HN 0.493 nan 8.370 nan 0.000 0.441 502 P HA 0.344 nan 4.420 nan 0.000 0.297 502 P C -2.649 174.464 177.300 -0.312 0.000 1.319 502 P CA -1.697 61.154 63.100 -0.416 0.000 0.810 502 P CB 0.732 31.977 31.700 -0.759 0.000 0.947 503 P HA 0.151 nan 4.420 nan 0.000 0.265 503 P C -0.163 177.172 177.300 0.058 0.000 1.193 503 P CA 0.159 63.190 63.100 -0.116 0.000 0.765 503 P CB 0.313 31.946 31.700 -0.112 0.000 0.823 504 A N 2.631 125.528 122.820 0.129 0.000 2.340 504 A HA 0.701 5.022 4.320 0.002 0.000 0.268 504 A C 0.881 178.577 177.584 0.187 0.000 1.100 504 A CA 0.728 52.870 52.037 0.175 0.000 0.803 504 A CB -0.106 18.923 19.000 0.048 0.000 1.043 504 A HN 0.751 nan 8.150 nan 0.000 0.488 505 G N 0.020 108.877 108.800 0.094 0.000 2.286 505 G HA2 0.329 4.290 3.960 0.002 0.000 0.118 505 G HA3 0.329 4.290 3.960 0.002 0.000 0.118 505 G C -1.352 173.358 174.900 -0.317 0.000 1.267 505 G CA -0.113 44.877 45.100 -0.183 0.000 1.171 505 G HN 1.081 nan 8.290 nan 0.000 0.465 506 I N 0.850 120.998 120.570 -0.703 0.000 2.512 506 I HA 0.718 4.890 4.170 0.002 0.000 0.287 506 I C -1.252 174.192 176.117 -1.123 0.000 1.069 506 I CA -0.310 60.623 61.300 -0.613 0.000 1.056 506 I CB 1.815 39.557 38.000 -0.429 0.000 1.229 506 I HN 0.380 nan 8.210 nan 0.000 0.429 507 F N 5.158 124.958 119.950 -0.250 0.000 2.576 507 F HA 0.700 5.228 4.527 0.002 0.000 0.313 507 F C -0.669 174.993 175.800 -0.229 0.000 1.078 507 F CA -0.717 57.175 58.000 -0.181 0.000 0.921 507 F CB 1.686 40.754 39.000 0.113 0.000 1.232 507 F HN 0.079 nan 8.300 nan 0.000 0.459 508 F N 0.414 120.596 119.950 0.388 0.000 2.522 508 F HA 0.395 4.924 4.527 0.002 0.000 0.324 508 F C 0.276 176.223 175.800 0.244 0.000 1.077 508 F CA -1.549 56.625 58.000 0.291 0.000 0.944 508 F CB 1.419 40.512 39.000 0.155 0.000 1.175 508 F HN 0.572 nan 8.300 nan 0.000 0.468 509 N N 2.069 121.026 118.700 0.429 0.000 2.637 509 N HA -0.235 4.507 4.740 0.002 0.000 0.287 509 N C -1.391 174.252 175.510 0.223 0.000 1.130 509 N CA 0.361 53.575 53.050 0.272 0.000 0.764 509 N CB -0.729 37.881 38.487 0.206 0.000 0.935 509 N HN 0.572 nan 8.380 nan 0.000 0.558 510 I N 1.249 121.957 120.570 0.229 0.000 2.377 510 I HA 0.301 4.473 4.170 0.002 0.000 0.293 510 I C 0.548 176.723 176.117 0.096 0.000 0.987 510 I CA -0.633 60.788 61.300 0.201 0.000 1.185 510 I CB 1.645 39.833 38.000 0.313 0.000 1.341 510 I HN 0.434 nan 8.210 nan 0.000 0.455 511 T N 3.717 118.289 114.554 0.029 0.000 2.779 511 T HA 0.662 5.014 4.350 0.002 0.000 0.280 511 T C -0.371 174.252 174.700 -0.130 0.000 0.987 511 T CA -0.747 61.313 62.100 -0.067 0.000 0.966 511 T CB 1.323 70.165 68.868 -0.044 0.000 0.933 511 T HN 0.174 nan 8.240 nan 0.000 0.442 512 V N 4.023 123.785 119.914 -0.253 0.000 2.617 512 V HA 0.510 4.632 4.120 0.002 0.000 0.298 512 V C 0.036 175.991 176.094 -0.231 0.000 1.048 512 V CA -1.032 61.048 62.300 -0.366 0.000 0.964 512 V CB 1.283 32.736 31.823 -0.617 0.000 1.004 512 V HN 0.840 nan 8.190 nan 0.000 0.466 513 L N 4.556 125.662 121.223 -0.195 0.000 2.343 513 L HA 0.519 4.860 4.340 0.002 0.000 0.278 513 L C -0.655 176.133 176.870 -0.138 0.000 0.996 513 L CA -0.416 54.332 54.840 -0.153 0.000 0.831 513 L CB 1.694 43.675 42.059 -0.130 0.000 1.232 513 L HN 0.812 nan 8.230 nan 0.000 0.413 514 D N 2.874 123.194 120.400 -0.132 0.000 2.198 514 D HA 0.290 4.931 4.640 0.002 0.000 0.247 514 D C -0.815 175.411 176.300 -0.123 0.000 1.010 514 D CA -0.484 53.483 54.000 -0.055 0.000 0.880 514 D CB 1.862 42.654 40.800 -0.014 0.000 1.209 514 D HN 0.047 nan 8.370 nan 0.000 0.451 515 F N 1.067 121.010 119.950 -0.012 0.000 2.467 515 F HA 0.336 4.864 4.527 0.002 0.000 0.362 515 F C 1.759 177.552 175.800 -0.011 0.000 1.090 515 F CA -0.396 57.603 58.000 -0.002 0.000 1.202 515 F CB 1.407 40.405 39.000 -0.004 0.000 1.113 515 F HN 0.617 nan 8.300 nan 0.000 0.541 516 A N 2.618 125.514 122.820 0.127 0.000 1.892 516 A HA -0.122 4.200 4.320 0.002 0.000 0.218 516 A C 0.811 178.439 177.584 0.074 0.000 1.188 516 A CA 1.799 53.880 52.037 0.073 0.000 0.631 516 A CB -0.541 18.488 19.000 0.049 0.000 0.822 516 A HN 0.649 nan 8.150 nan 0.000 0.447 517 S N -1.467 114.288 115.700 0.092 0.000 2.385 517 S HA 0.436 4.908 4.470 0.002 0.000 0.191 517 S C 0.294 174.934 174.600 0.067 0.000 1.196 517 S CA -0.499 57.735 58.200 0.057 0.000 1.178 517 S CB 0.566 63.795 63.200 0.048 0.000 1.258 517 S HN 0.350 nan 8.310 nan 0.000 0.430 518 L N 1.577 122.814 121.223 0.024 0.000 1.973 518 L HA -0.082 4.260 4.340 0.002 0.000 0.208 518 L C 1.655 178.574 176.870 0.081 0.000 1.073 518 L CA 1.962 56.801 54.840 -0.001 0.000 0.746 518 L CB -0.463 41.492 42.059 -0.175 0.000 0.891 518 L HN 0.626 nan 8.230 nan 0.000 0.433 519 Y N 0.372 120.600 120.300 -0.120 0.000 2.128 519 Y HA -0.138 4.413 4.550 0.002 0.000 0.284 519 Y C 0.044 175.923 175.900 -0.035 0.000 1.154 519 Y CA 0.711 58.721 58.100 -0.150 0.000 1.149 519 Y CB -2.556 35.748 38.460 -0.260 0.000 0.976 519 Y HN 0.288 nan 8.280 nan 0.000 0.505 520 P HA -0.130 nan 4.420 nan 0.000 0.216 520 P C 1.896 179.266 177.300 0.117 0.000 1.153 520 P CA 2.393 65.577 63.100 0.140 0.000 0.858 520 P CB -0.027 31.745 31.700 0.120 0.000 0.789 521 S N -0.596 115.174 115.700 0.116 0.000 2.402 521 S HA -0.122 4.349 4.470 0.002 0.000 0.229 521 S C 1.804 176.498 174.600 0.156 0.000 1.021 521 S CA 1.302 59.571 58.200 0.115 0.000 0.974 521 S CB -0.988 62.287 63.200 0.125 0.000 0.800 521 S HN 0.274 nan 8.310 nan 0.000 0.484 522 I N -0.762 119.921 120.570 0.189 0.000 2.852 522 I HA 0.154 4.326 4.170 0.002 0.000 0.264 522 I C 1.736 178.011 176.117 0.263 0.000 1.179 522 I CA 0.830 62.333 61.300 0.339 0.000 1.480 522 I CB -0.357 37.702 38.000 0.097 0.000 1.111 522 I HN 0.085 nan 8.210 nan 0.000 0.441 523 I N 1.808 122.448 120.570 0.117 0.000 2.127 523 I HA -0.329 3.842 4.170 0.002 0.000 0.241 523 I C 2.847 179.008 176.117 0.073 0.000 1.075 523 I CA 2.287 63.628 61.300 0.068 0.000 1.334 523 I CB -0.353 37.671 38.000 0.040 0.000 1.040 523 I HN 0.370 nan 8.210 nan 0.000 0.405 524 R N 0.118 120.657 120.500 0.065 0.000 2.090 524 R HA -0.056 4.285 4.340 0.002 0.000 0.228 524 R C 1.932 178.209 176.300 -0.038 0.000 1.110 524 R CA 1.734 57.846 56.100 0.020 0.000 0.973 524 R CB -1.703 28.608 30.300 0.018 0.000 0.869 524 R HN 0.084 nan 8.270 nan 0.000 0.440 525 T N -0.453 114.074 114.554 -0.045 0.000 2.867 525 T HA -0.054 4.298 4.350 0.002 0.000 0.268 525 T C 0.527 174.927 174.700 -0.501 0.000 1.057 525 T CA 1.133 63.049 62.100 -0.307 0.000 1.136 525 T CB -0.120 68.484 68.868 -0.439 0.000 0.874 525 T HN 0.367 nan 8.240 nan 0.000 0.466 526 W N 1.711 122.910 121.300 -0.168 0.000 3.123 526 W HA 0.380 5.041 4.660 0.002 0.000 0.383 526 W C 0.683 177.073 176.519 -0.214 0.000 1.102 526 W CA -0.631 56.557 57.345 -0.261 0.000 1.865 526 W CB -0.644 28.660 29.460 -0.260 0.000 1.111 526 W HN 0.358 nan 8.180 nan 0.000 0.621 527 N N 1.457 120.148 118.700 -0.015 0.000 2.738 527 N HA -0.208 4.533 4.740 0.002 0.000 0.249 527 N C -0.741 174.769 175.510 0.001 0.000 1.047 527 N CA 0.280 53.315 53.050 -0.024 0.000 0.707 527 N CB -1.147 37.301 38.487 -0.066 0.000 0.937 527 N HN 0.079 nan 8.380 nan 0.000 0.545 528 L N 0.891 122.123 121.223 0.014 0.000 2.276 528 L HA 0.523 4.864 4.340 0.002 0.000 0.286 528 L C 0.560 177.411 176.870 -0.030 0.000 1.061 528 L CA -0.088 54.746 54.840 -0.010 0.000 0.807 528 L CB 1.776 43.820 42.059 -0.024 0.000 1.177 528 L HN 0.135 nan 8.230 nan 0.000 0.429 529 S N 0.266 115.949 115.700 -0.028 0.000 2.595 529 S HA 0.215 4.687 4.470 0.002 0.000 0.270 529 S C 0.254 174.853 174.600 -0.002 0.000 1.145 529 S CA -0.663 57.528 58.200 -0.016 0.000 0.825 529 S CB 0.779 63.975 63.200 -0.007 0.000 1.107 529 S HN 0.559 nan 8.310 nan 0.000 0.461 530 Y N 1.639 121.981 120.300 0.070 0.000 2.403 530 Y HA 0.138 4.689 4.550 0.002 0.000 0.291 530 Y C 1.684 177.617 175.900 0.055 0.000 1.143 530 Y CA 1.822 59.977 58.100 0.092 0.000 1.257 530 Y CB -0.152 38.406 38.460 0.164 0.000 0.984 530 Y HN 0.676 nan 8.280 nan 0.000 0.550 531 E N 1.172 120.951 120.200 -0.703 0.000 2.481 531 E HA 0.010 4.361 4.350 0.002 0.000 0.198 531 E C 0.774 177.227 176.600 -0.244 0.000 1.027 531 E CA 0.908 56.841 56.400 -0.778 0.000 0.900 531 E CB -0.375 28.576 29.700 -1.247 0.000 0.993 531 E HN 0.567 nan 8.360 nan 0.000 0.482 532 T N -1.756 112.725 114.554 -0.121 0.000 3.084 532 T HA 0.352 4.704 4.350 0.002 0.000 0.270 532 T C 0.220 174.932 174.700 0.021 0.000 1.008 532 T CA -0.322 61.756 62.100 -0.037 0.000 0.900 532 T CB 0.308 69.151 68.868 -0.042 0.000 1.084 532 T HN -0.060 nan 8.240 nan 0.000 0.538 533 V N 2.487 122.434 119.914 0.054 0.000 2.407 533 V HA 0.421 4.543 4.120 0.002 0.000 0.291 533 V C -0.694 175.466 176.094 0.111 0.000 1.018 533 V CA -0.737 61.605 62.300 0.070 0.000 0.842 533 V CB 1.121 32.961 31.823 0.029 0.000 0.996 533 V HN 0.420 nan 8.190 nan 0.000 0.426 534 D N 2.311 122.776 120.400 0.107 0.000 2.775 534 D HA -0.165 4.476 4.640 0.002 0.000 0.235 534 D C -0.118 176.228 176.300 0.076 0.000 1.120 534 D CA 1.249 55.308 54.000 0.098 0.000 0.708 534 D CB -0.738 40.137 40.800 0.124 0.000 1.084 534 D HN 0.739 nan 8.370 nan 0.000 0.434 535 I N -2.766 117.848 120.570 0.073 0.000 2.664 535 I HA 0.348 4.520 4.170 0.002 0.000 0.308 535 I C 1.864 177.990 176.117 0.014 0.000 0.984 535 I CA -0.883 60.450 61.300 0.055 0.000 1.213 535 I CB 1.314 39.382 38.000 0.113 0.000 1.379 535 I HN -0.070 nan 8.210 nan 0.000 0.501 536 Q N 2.410 122.200 119.800 -0.016 0.000 1.994 536 Q HA 0.016 4.357 4.340 0.002 0.000 0.198 536 Q C 0.180 176.169 176.000 -0.019 0.000 0.976 536 Q CA 0.700 56.489 55.803 -0.024 0.000 0.828 536 Q CB -0.209 28.503 28.738 -0.042 0.000 0.894 536 Q HN 0.670 nan 8.270 nan 0.000 0.432 537 Q N 0.391 120.177 119.800 -0.023 0.000 2.349 537 Q HA 0.335 4.676 4.340 0.002 0.000 0.254 537 Q C -1.513 174.470 176.000 -0.029 0.000 0.980 537 Q CA -0.112 55.675 55.803 -0.027 0.000 0.924 537 Q CB 1.655 30.373 28.738 -0.033 0.000 1.209 537 Q HN 0.349 nan 8.270 nan 0.000 0.445 538 c N 4.356 122.940 118.600 -0.025 0.000 2.679 538 c HA 0.275 4.847 4.570 0.002 0.000 0.354 538 c C 1.265 175.341 174.090 -0.024 0.000 1.067 538 c CA -0.538 55.775 56.329 -0.026 0.000 1.317 538 c CB 0.436 42.941 42.510 -0.009 0.000 1.843 538 c HN 0.856 nan 8.230 nan 0.000 0.459 539 K N 1.872 122.251 120.400 -0.036 0.000 2.062 539 K HA 0.000 4.322 4.320 0.002 0.000 0.205 539 K C 0.407 176.996 176.600 -0.019 0.000 1.051 539 K CA 1.077 57.346 56.287 -0.030 0.000 0.941 539 K CB 0.152 32.628 32.500 -0.040 0.000 0.719 539 K HN 0.570 nan 8.250 nan 0.000 0.440 540 K N 1.732 122.122 120.400 -0.017 0.000 2.724 540 K HA 0.229 4.550 4.320 0.002 0.000 0.198 540 K C -2.594 174.026 176.600 0.034 0.000 1.099 540 K CA -1.501 54.788 56.287 0.003 0.000 1.025 540 K CB 1.183 33.679 32.500 -0.006 0.000 1.509 540 K HN 0.038 nan 8.250 nan 0.000 0.564 541 P HA -0.045 nan 4.420 nan 0.000 0.270 541 P C -1.085 176.293 177.300 0.129 0.000 1.223 541 P CA -0.070 63.070 63.100 0.067 0.000 0.785 541 P CB 0.520 32.240 31.700 0.033 0.000 0.923 542 Y N -0.405 119.906 120.300 0.018 0.000 2.396 542 Y HA 0.250 4.801 4.550 0.002 0.000 0.332 542 Y C -0.276 175.646 175.900 0.037 0.000 1.034 542 Y CA -0.753 57.369 58.100 0.037 0.000 1.057 542 Y CB 1.742 40.241 38.460 0.064 0.000 1.220 542 Y HN 0.328 nan 8.280 nan 0.000 0.440 543 E N 4.410 124.451 120.200 -0.266 0.000 2.331 543 E HA 0.464 4.815 4.350 0.002 0.000 0.272 543 E C -1.137 175.427 176.600 -0.060 0.000 1.036 543 E CA -0.709 55.614 56.400 -0.129 0.000 0.864 543 E CB 1.984 31.579 29.700 -0.175 0.000 1.035 543 E HN 0.370 nan 8.360 nan 0.000 0.408 544 V N 4.450 124.377 119.914 0.022 0.000 2.327 544 V HA 0.111 4.233 4.120 0.002 0.000 0.272 544 V C 0.091 176.165 176.094 -0.034 0.000 1.019 544 V CA -0.691 61.608 62.300 -0.002 0.000 0.814 544 V CB 0.320 32.166 31.823 0.037 0.000 1.040 544 V HN 0.569 nan 8.190 nan 0.000 0.440 545 K N 1.245 121.591 120.400 -0.090 0.000 2.132 545 K HA 0.633 4.954 4.320 0.002 0.000 0.241 545 K C -0.303 176.299 176.600 0.003 0.000 1.000 545 K CA -0.540 55.729 56.287 -0.030 0.000 0.911 545 K CB 2.465 34.962 32.500 -0.006 0.000 1.093 545 K HN 0.305 nan 8.250 nan 0.000 0.460 546 D N -0.641 119.799 120.400 0.067 0.000 3.013 546 D HA 0.017 4.658 4.640 0.002 0.000 0.235 546 D C 0.940 177.335 176.300 0.159 0.000 1.540 546 D CA 0.430 54.501 54.000 0.120 0.000 1.303 546 D CB 0.544 41.378 40.800 0.056 0.000 0.980 546 D HN 0.554 nan 8.370 nan 0.000 0.250 547 E N -0.467 119.783 120.200 0.084 0.000 2.182 547 E HA 0.133 4.485 4.350 0.002 0.000 0.195 547 E C 1.293 177.925 176.600 0.053 0.000 0.933 547 E CA 0.700 57.135 56.400 0.059 0.000 0.940 547 E CB -0.633 29.085 29.700 0.029 0.000 0.945 547 E HN 0.159 nan 8.360 nan 0.000 0.477 548 T N 1.296 115.873 114.554 0.038 0.000 3.565 548 T HA 0.212 4.563 4.350 0.002 0.000 0.248 548 T C 0.809 175.528 174.700 0.033 0.000 1.033 548 T CA 0.583 62.701 62.100 0.029 0.000 0.952 548 T CB -0.705 68.172 68.868 0.016 0.000 1.072 548 T HN 0.436 nan 8.240 nan 0.000 0.609 549 G N 2.044 110.876 108.800 0.054 0.000 2.422 549 G HA2 -0.310 3.652 3.960 0.002 0.000 0.301 549 G HA3 -0.310 3.652 3.960 0.002 0.000 0.301 549 G C 0.696 175.607 174.900 0.018 0.000 0.981 549 G CA 0.551 45.680 45.100 0.049 0.000 0.994 549 G HN 0.590 nan 8.290 nan 0.000 0.514 550 E N -0.842 119.366 120.200 0.013 0.000 2.285 550 E HA 0.155 4.507 4.350 0.002 0.000 0.194 550 E C 1.304 177.890 176.600 -0.023 0.000 0.997 550 E CA 0.658 57.055 56.400 -0.005 0.000 0.845 550 E CB -0.032 29.664 29.700 -0.006 0.000 0.782 550 E HN 0.824 nan 8.360 nan 0.000 0.491 551 V N 1.317 121.217 119.914 -0.023 0.000 5.999 551 V HA -0.257 3.864 4.120 0.002 0.000 0.275 551 V C 0.985 177.039 176.094 -0.065 0.000 0.606 551 V CA 0.369 62.647 62.300 -0.036 0.000 0.836 551 V CB -2.020 29.780 31.823 -0.039 0.000 0.869 551 V HN 0.297 nan 8.190 nan 0.000 0.497 552 L N 1.203 122.389 121.223 -0.062 0.000 2.056 552 L HA 0.073 4.414 4.340 0.002 0.000 0.207 552 L C 1.212 177.779 176.870 -0.505 0.000 1.078 552 L CA 1.680 56.400 54.840 -0.200 0.000 0.749 552 L CB -0.156 41.895 42.059 -0.012 0.000 0.901 552 L HN 0.795 nan 8.230 nan 0.000 0.433 553 H N -1.988 117.073 119.070 -0.015 0.000 3.016 553 H HA 0.477 5.035 4.556 0.002 0.000 0.362 553 H C -0.933 174.403 175.328 0.014 0.000 1.233 553 H CA -0.923 55.124 56.048 -0.002 0.000 1.124 553 H CB 2.145 31.905 29.762 -0.003 0.000 1.850 553 H HN -0.156 nan 8.280 nan 0.000 0.549 554 I N 1.458 122.118 120.570 0.150 0.000 2.498 554 I HA 0.336 4.508 4.170 0.002 0.000 0.301 554 I C -0.252 175.943 176.117 0.129 0.000 0.984 554 I CA -0.969 60.402 61.300 0.118 0.000 1.204 554 I CB 1.953 39.995 38.000 0.070 0.000 1.362 554 I HN 0.107 nan 8.210 nan 0.000 0.471 555 V N 4.292 124.295 119.914 0.149 0.000 2.525 555 V HA 0.202 4.324 4.120 0.002 0.000 0.299 555 V C -0.431 175.720 176.094 0.094 0.000 1.034 555 V CA -0.707 61.662 62.300 0.115 0.000 0.863 555 V CB 1.686 33.583 31.823 0.122 0.000 0.999 555 V HN 0.835 nan 8.190 nan 0.000 0.423 556 c N 5.707 124.332 118.600 0.042 0.000 2.576 556 c HA 0.330 4.901 4.570 0.002 0.000 0.401 556 c C 1.428 175.505 174.090 -0.022 0.000 1.314 556 c CA 0.023 56.356 56.329 0.007 0.000 1.855 556 c CB 0.166 42.661 42.510 -0.026 0.000 2.537 556 c HN 0.959 nan 8.230 nan 0.000 0.578 557 M N 2.674 122.260 119.600 -0.023 0.000 2.371 557 M HA 0.122 4.603 4.480 0.002 0.000 0.246 557 M C 1.566 177.815 176.300 -0.085 0.000 1.103 557 M CA 0.666 55.935 55.300 -0.051 0.000 1.010 557 M CB -0.385 32.197 32.600 -0.029 0.000 1.457 557 M HN 0.678 nan 8.290 nan 0.000 0.486 558 D N 1.077 121.413 120.400 -0.107 0.000 2.133 558 D HA -0.123 4.519 4.640 0.002 0.000 0.195 558 D C 0.451 176.600 176.300 -0.252 0.000 0.997 558 D CA 1.236 55.137 54.000 -0.164 0.000 0.840 558 D CB 0.225 40.913 40.800 -0.188 0.000 0.947 558 D HN 0.326 nan 8.370 nan 0.000 0.452 559 R N -0.320 120.009 120.500 -0.284 0.000 2.744 559 R HA 0.349 4.690 4.340 0.002 0.000 0.279 559 R C -2.543 173.691 176.300 -0.110 0.000 0.977 559 R CA -1.660 54.216 56.100 -0.373 0.000 0.906 559 R CB 2.448 32.241 30.300 -0.845 0.000 1.197 559 R HN -0.117 nan 8.270 nan 0.000 0.463 560 P HA 0.012 nan 4.420 nan 0.000 0.267 560 P C -0.285 177.139 177.300 0.206 0.000 1.205 560 P CA -0.054 63.124 63.100 0.131 0.000 0.765 560 P CB 0.669 32.483 31.700 0.190 0.000 0.828 561 G N 2.665 111.532 108.800 0.112 0.000 2.390 561 G HA2 0.177 4.139 3.960 0.002 0.000 0.270 561 G HA3 0.177 4.139 3.960 0.002 0.000 0.270 561 G C 0.939 175.931 174.900 0.153 0.000 1.211 561 G CA -0.660 44.509 45.100 0.116 0.000 0.842 561 G HN 0.552 nan 8.290 nan 0.000 0.519 562 I N 1.855 122.559 120.570 0.222 0.000 2.286 562 I HA -0.175 3.996 4.170 0.002 0.000 0.248 562 I C 2.696 178.962 176.117 0.248 0.000 1.115 562 I CA 1.764 63.175 61.300 0.186 0.000 1.392 562 I CB 0.207 38.324 38.000 0.194 0.000 1.065 562 I HN 0.522 nan 8.210 nan 0.000 0.418 563 T N 0.845 115.590 114.554 0.318 0.000 2.746 563 T HA -0.115 4.236 4.350 0.002 0.000 0.267 563 T C 1.940 176.715 174.700 0.124 0.000 1.039 563 T CA 1.319 63.580 62.100 0.269 0.000 1.142 563 T CB -0.461 68.349 68.868 -0.097 0.000 0.866 563 T HN 0.541 nan 8.240 nan 0.000 0.444 564 A N 0.989 123.849 122.820 0.067 0.000 1.898 564 A HA -0.025 4.297 4.320 0.002 0.000 0.216 564 A C 2.585 180.188 177.584 0.031 0.000 1.181 564 A CA 1.225 53.285 52.037 0.038 0.000 0.620 564 A CB -0.983 18.030 19.000 0.021 0.000 0.819 564 A HN 0.348 nan 8.150 nan 0.000 0.442 565 V N 0.065 119.994 119.914 0.025 0.000 2.295 565 V HA -0.263 3.859 4.120 0.002 0.000 0.246 565 V C 2.410 178.460 176.094 -0.073 0.000 1.049 565 V CA 2.132 64.415 62.300 -0.029 0.000 1.024 565 V CB -0.614 31.181 31.823 -0.046 0.000 0.648 565 V HN 0.567 nan 8.190 nan 0.000 0.447 566 I N 0.530 121.072 120.570 -0.046 0.000 2.277 566 I HA -0.187 3.984 4.170 0.002 0.000 0.243 566 I C 2.806 178.936 176.117 0.023 0.000 1.094 566 I CA 1.845 63.089 61.300 -0.093 0.000 1.393 566 I CB -0.645 37.275 38.000 -0.133 0.000 1.078 566 I HN 0.504 nan 8.210 nan 0.000 0.417 567 T N -1.073 113.555 114.554 0.124 0.000 2.746 567 T HA -0.098 4.253 4.350 0.002 0.000 0.267 567 T C 2.023 176.782 174.700 0.097 0.000 1.039 567 T CA 1.262 63.451 62.100 0.149 0.000 1.142 567 T CB -1.116 67.846 68.868 0.158 0.000 0.866 567 T HN 0.402 nan 8.240 nan 0.000 0.444 568 G N 1.419 110.253 108.800 0.057 0.000 2.418 568 G HA2 -0.080 3.882 3.960 0.002 0.000 0.217 568 G HA3 -0.080 3.882 3.960 0.002 0.000 0.217 568 G C 1.485 176.423 174.900 0.062 0.000 1.158 568 G CA 0.956 46.084 45.100 0.047 0.000 0.771 568 G HN 0.513 nan 8.290 nan 0.000 0.545 569 L N 0.106 121.334 121.223 0.007 0.000 2.093 569 L HA 0.148 4.489 4.340 0.002 0.000 0.208 569 L C 2.659 179.610 176.870 0.135 0.000 1.085 569 L CA 1.295 56.117 54.840 -0.030 0.000 0.755 569 L CB -0.308 41.565 42.059 -0.310 0.000 0.904 569 L HN 0.200 nan 8.230 nan 0.000 0.435 570 L N -0.828 120.472 121.223 0.129 0.000 2.027 570 L HA -0.177 4.165 4.340 0.002 0.000 0.206 570 L C 2.859 179.861 176.870 0.220 0.000 1.074 570 L CA 1.360 56.341 54.840 0.234 0.000 0.745 570 L CB -0.519 41.672 42.059 0.219 0.000 0.898 570 L HN 0.270 nan 8.230 nan 0.000 0.433 571 R N 0.180 120.775 120.500 0.158 0.000 2.080 571 R HA -0.199 4.142 4.340 0.002 0.000 0.236 571 R C 1.804 178.166 176.300 0.104 0.000 1.137 571 R CA 2.241 58.413 56.100 0.120 0.000 0.943 571 R CB -0.329 30.024 30.300 0.090 0.000 0.846 571 R HN 0.356 nan 8.270 nan 0.000 0.431 572 D N -0.346 120.106 120.400 0.087 0.000 2.178 572 D HA -0.130 4.511 4.640 0.002 0.000 0.202 572 D C 1.689 178.010 176.300 0.037 0.000 0.974 572 D CA 0.814 54.803 54.000 -0.018 0.000 0.841 572 D CB -0.296 40.425 40.800 -0.132 0.000 0.953 572 D HN 0.146 nan 8.370 nan 0.000 0.478 573 F N 1.178 121.256 119.950 0.212 0.000 2.126 573 F HA -0.097 4.431 4.527 0.002 0.000 0.299 573 F C 2.477 178.359 175.800 0.138 0.000 1.096 573 F CA 1.008 59.144 58.000 0.227 0.000 1.255 573 F CB -0.267 38.825 39.000 0.154 0.000 0.997 573 F HN -0.142 nan 8.300 nan 0.000 0.479 574 R N 0.292 120.948 120.500 0.260 0.000 2.070 574 R HA -0.136 4.205 4.340 0.002 0.000 0.227 574 R C 2.412 178.770 176.300 0.096 0.000 1.147 574 R CA 2.200 58.396 56.100 0.160 0.000 0.924 574 R CB -0.833 29.534 30.300 0.112 0.000 0.827 574 R HN 0.236 nan 8.270 nan 0.000 0.431 575 V N -0.105 119.839 119.914 0.050 0.000 2.379 575 V HA -0.115 4.007 4.120 0.002 0.000 0.245 575 V C 1.716 177.784 176.094 -0.043 0.000 1.044 575 V CA 1.744 64.046 62.300 0.004 0.000 1.036 575 V CB -0.484 31.337 31.823 -0.003 0.000 0.664 575 V HN 0.319 nan 8.190 nan 0.000 0.453 576 K N 0.003 120.349 120.400 -0.090 0.000 2.217 576 K HA 0.116 4.437 4.320 0.002 0.000 0.202 576 K C 1.891 178.393 176.600 -0.164 0.000 1.051 576 K CA 1.898 58.090 56.287 -0.159 0.000 0.952 576 K CB 0.008 32.337 32.500 -0.284 0.000 0.736 576 K HN 0.731 nan 8.250 nan 0.000 0.453 577 I N -3.500 116.984 120.570 -0.144 0.000 4.046 577 I HA 0.013 4.184 4.170 0.002 0.000 0.285 577 I C 1.255 177.139 176.117 -0.389 0.000 1.183 577 I CA 0.231 61.357 61.300 -0.289 0.000 1.337 577 I CB 0.308 38.102 38.000 -0.344 0.000 1.478 577 I HN -0.151 nan 8.210 nan 0.000 0.452 578 Y N 1.336 121.603 120.300 -0.056 0.000 2.347 578 Y HA 0.251 4.802 4.550 0.002 0.000 0.294 578 Y C 2.393 178.269 175.900 -0.040 0.000 1.117 578 Y CA 1.064 59.105 58.100 -0.098 0.000 1.184 578 Y CB -0.281 38.112 38.460 -0.111 0.000 1.047 578 Y HN 0.000 nan 8.280 nan 0.000 0.546 579 K N 0.624 121.084 120.400 0.100 0.000 2.020 579 K HA -0.246 4.075 4.320 0.002 0.000 0.212 579 K C 1.962 178.583 176.600 0.035 0.000 1.050 579 K CA 1.929 58.256 56.287 0.068 0.000 0.929 579 K CB -0.108 32.419 32.500 0.045 0.000 0.714 579 K HN 0.254 nan 8.250 nan 0.000 0.443 580 K N 0.709 121.101 120.400 -0.014 0.000 1.991 580 K HA -0.176 4.145 4.320 0.002 0.000 0.212 580 K C 2.148 178.732 176.600 -0.027 0.000 1.049 580 K CA 1.523 57.790 56.287 -0.033 0.000 0.932 580 K CB -0.123 32.332 32.500 -0.074 0.000 0.717 580 K HN 0.068 nan 8.250 nan 0.000 0.441 581 K N 0.308 120.653 120.400 -0.092 0.000 2.103 581 K HA -0.158 4.163 4.320 0.002 0.000 0.207 581 K C 2.151 178.826 176.600 0.125 0.000 1.048 581 K CA 1.298 57.530 56.287 -0.092 0.000 0.930 581 K CB -0.123 32.103 32.500 -0.456 0.000 0.716 581 K HN 0.185 nan 8.250 nan 0.000 0.444 582 A N 2.011 124.930 122.820 0.165 0.000 1.930 582 A HA -0.145 4.177 4.320 0.002 0.000 0.217 582 A C 1.112 178.782 177.584 0.145 0.000 1.175 582 A CA 1.254 53.430 52.037 0.232 0.000 0.627 582 A CB -0.164 18.960 19.000 0.208 0.000 0.815 582 A HN 0.341 nan 8.150 nan 0.000 0.443 583 K N 0.058 120.516 120.400 0.096 0.000 3.016 583 K HA 0.355 4.676 4.320 0.002 0.000 0.226 583 K C -0.779 175.853 176.600 0.054 0.000 1.245 583 K CA -0.417 55.911 56.287 0.069 0.000 1.174 583 K CB -0.259 32.273 32.500 0.054 0.000 1.572 583 K HN 0.158 nan 8.250 nan 0.000 0.462 584 N N 1.874 120.614 118.700 0.066 0.000 2.448 584 N HA 0.240 4.981 4.740 0.002 0.000 0.279 584 N C -1.943 173.600 175.510 0.056 0.000 1.025 584 N CA -2.286 50.794 53.050 0.050 0.000 0.898 584 N CB 1.667 40.181 38.487 0.044 0.000 1.303 584 N HN -0.018 nan 8.380 nan 0.000 0.495 585 P HA -0.054 nan 4.420 nan 0.000 0.222 585 P C 0.202 177.526 177.300 0.041 0.000 1.147 585 P CA 0.934 64.057 63.100 0.039 0.000 0.790 585 P CB 0.430 32.147 31.700 0.029 0.000 0.780 586 N N -0.616 118.109 118.700 0.042 0.000 2.512 586 N HA -0.032 4.709 4.740 0.002 0.000 0.183 586 N C 0.553 176.097 175.510 0.056 0.000 1.073 586 N CA 0.458 53.534 53.050 0.043 0.000 0.911 586 N CB -0.549 37.960 38.487 0.037 0.000 0.964 586 N HN 0.168 nan 8.380 nan 0.000 0.447 587 N N 0.275 119.020 118.700 0.075 0.000 2.529 587 N HA 0.046 4.787 4.740 0.002 0.000 0.278 587 N C 0.032 175.577 175.510 0.058 0.000 1.146 587 N CA -0.047 53.058 53.050 0.092 0.000 0.980 587 N CB 1.065 39.645 38.487 0.155 0.000 1.124 587 N HN 0.142 nan 8.380 nan 0.000 0.458 588 S N 0.622 116.347 115.700 0.041 0.000 2.584 588 S HA 0.068 4.540 4.470 0.002 0.000 0.270 588 S C 1.058 175.661 174.600 0.006 0.000 1.346 588 S CA -0.337 57.875 58.200 0.020 0.000 1.018 588 S CB 1.201 64.408 63.200 0.010 0.000 0.899 588 S HN 0.465 nan 8.310 nan 0.000 0.542 589 E N 0.733 120.936 120.200 0.005 0.000 2.204 589 E HA -0.152 4.200 4.350 0.002 0.000 0.194 589 E C 1.779 178.365 176.600 -0.022 0.000 0.989 589 E CA 1.207 57.607 56.400 0.001 0.000 0.824 589 E CB -0.170 29.534 29.700 0.007 0.000 0.756 589 E HN 0.908 nan 8.360 nan 0.000 0.477 590 E N 1.054 121.234 120.200 -0.034 0.000 2.051 590 E HA -0.208 4.144 4.350 0.002 0.000 0.192 590 E C 2.059 178.591 176.600 -0.114 0.000 0.991 590 E CA 1.835 58.201 56.400 -0.057 0.000 0.799 590 E CB -0.103 29.569 29.700 -0.046 0.000 0.748 590 E HN 0.288 nan 8.360 nan 0.000 0.449 591 Q N -0.157 119.551 119.800 -0.153 0.000 2.432 591 Q HA -0.066 4.275 4.340 0.002 0.000 0.205 591 Q C 1.930 177.700 176.000 -0.382 0.000 0.945 591 Q CA 0.759 56.347 55.803 -0.357 0.000 0.924 591 Q CB -0.002 28.520 28.738 -0.361 0.000 1.016 591 Q HN 0.091 nan 8.270 nan 0.000 0.503 592 K N 0.838 121.171 120.400 -0.112 0.000 2.057 592 K HA -0.023 4.299 4.320 0.002 0.000 0.206 592 K C 2.012 178.621 176.600 0.014 0.000 1.050 592 K CA 0.912 57.210 56.287 0.018 0.000 0.935 592 K CB 0.045 32.570 32.500 0.042 0.000 0.715 592 K HN 0.259 nan 8.250 nan 0.000 0.439 593 L N 0.698 121.901 121.223 -0.033 0.000 2.109 593 L HA -0.163 4.178 4.340 0.002 0.000 0.207 593 L C 2.369 179.213 176.870 -0.043 0.000 1.086 593 L CA 0.350 55.176 54.840 -0.024 0.000 0.760 593 L CB -0.428 41.609 42.059 -0.037 0.000 0.910 593 L HN 0.219 nan 8.230 nan 0.000 0.437 594 L N -0.766 120.385 121.223 -0.120 0.000 1.989 594 L HA -0.251 4.091 4.340 0.002 0.000 0.211 594 L C 2.496 179.368 176.870 0.005 0.000 1.071 594 L CA 1.991 56.755 54.840 -0.126 0.000 0.749 594 L CB -0.745 41.162 42.059 -0.252 0.000 0.890 594 L HN 0.099 nan 8.230 nan 0.000 0.431 595 Y N -0.198 120.143 120.300 0.069 0.000 2.333 595 Y HA -0.182 4.369 4.550 0.002 0.000 0.290 595 Y C 2.486 178.436 175.900 0.082 0.000 1.144 595 Y CA 1.121 59.297 58.100 0.126 0.000 1.228 595 Y CB -1.117 37.475 38.460 0.220 0.000 0.985 595 Y HN 0.444 nan 8.280 nan 0.000 0.542 596 D N -0.318 120.196 120.400 0.190 0.000 2.097 596 D HA -0.130 4.511 4.640 0.002 0.000 0.197 596 D C 2.114 178.459 176.300 0.076 0.000 0.984 596 D CA 1.156 55.229 54.000 0.122 0.000 0.826 596 D CB -0.066 40.786 40.800 0.087 0.000 0.973 596 D HN 0.057 nan 8.370 nan 0.000 0.460 597 V N -0.002 119.934 119.914 0.037 0.000 2.407 597 V HA -0.195 3.926 4.120 0.002 0.000 0.248 597 V C 2.610 178.702 176.094 -0.002 0.000 1.055 597 V CA 1.136 63.432 62.300 -0.006 0.000 1.049 597 V CB -0.386 31.401 31.823 -0.059 0.000 0.662 597 V HN 0.158 nan 8.190 nan 0.000 0.455 598 V N 1.092 121.007 119.914 0.001 0.000 2.287 598 V HA -0.327 3.794 4.120 0.002 0.000 0.248 598 V C 2.653 178.697 176.094 -0.083 0.000 1.053 598 V CA 2.537 64.787 62.300 -0.083 0.000 1.027 598 V CB -0.773 30.902 31.823 -0.247 0.000 0.646 598 V HN 0.819 nan 8.190 nan 0.000 0.447 599 Q N 0.449 120.249 119.800 0.001 0.000 2.172 599 Q HA -0.148 4.193 4.340 0.002 0.000 0.200 599 Q C 2.053 178.102 176.000 0.083 0.000 0.964 599 Q CA 1.532 57.362 55.803 0.045 0.000 0.855 599 Q CB -0.610 28.190 28.738 0.103 0.000 0.918 599 Q HN 0.477 nan 8.270 nan 0.000 0.444 600 R N 0.532 121.085 120.500 0.088 0.000 2.091 600 R HA -0.066 4.276 4.340 0.002 0.000 0.238 600 R C 2.358 178.778 176.300 0.200 0.000 1.136 600 R CA 1.696 57.864 56.100 0.114 0.000 0.959 600 R CB -0.623 29.722 30.300 0.076 0.000 0.856 600 R HN 0.468 nan 8.270 nan 0.000 0.437 601 A N 0.391 123.346 122.820 0.225 0.000 1.929 601 A HA -0.098 4.224 4.320 0.002 0.000 0.216 601 A C 2.118 180.009 177.584 0.512 0.000 1.176 601 A CA 0.962 53.295 52.037 0.494 0.000 0.628 601 A CB -0.308 18.903 19.000 0.352 0.000 0.816 601 A HN 0.176 nan 8.150 nan 0.000 0.444 602 M N -0.532 119.231 119.600 0.271 0.000 2.080 602 M HA -0.208 4.273 4.480 0.002 0.000 0.260 602 M C 2.239 178.703 176.300 0.272 0.000 1.068 602 M CA 2.247 57.687 55.300 0.234 0.000 1.109 602 M CB -0.284 32.351 32.600 0.058 0.000 1.342 602 M HN 0.470 nan 8.290 nan 0.000 0.405 603 K N 0.203 120.720 120.400 0.195 0.000 2.074 603 K HA -0.171 4.150 4.320 0.002 0.000 0.209 603 K C 1.465 178.122 176.600 0.096 0.000 1.048 603 K CA 1.725 58.089 56.287 0.128 0.000 0.926 603 K CB -0.315 32.249 32.500 0.107 0.000 0.713 603 K HN 0.164 nan 8.250 nan 0.000 0.444 604 V N 0.500 120.527 119.914 0.187 0.000 2.287 604 V HA -0.223 3.899 4.120 0.002 0.000 0.248 604 V C 2.058 178.117 176.094 -0.058 0.000 1.053 604 V CA 1.967 64.309 62.300 0.071 0.000 1.027 604 V CB -0.588 31.278 31.823 0.071 0.000 0.646 604 V HN 0.270 nan 8.190 nan 0.000 0.447 605 F N -0.525 119.475 119.950 0.083 0.000 2.206 605 F HA -0.030 4.499 4.527 0.002 0.000 0.298 605 F C 2.114 177.964 175.800 0.082 0.000 1.090 605 F CA 1.361 59.430 58.000 0.114 0.000 1.323 605 F CB -0.442 38.688 39.000 0.217 0.000 1.028 605 F HN 0.048 nan 8.300 nan 0.000 0.492 606 I N 0.330 121.043 120.570 0.239 0.000 2.099 606 I HA -0.366 3.805 4.170 0.002 0.000 0.239 606 I C 1.795 177.915 176.117 0.005 0.000 1.066 606 I CA 1.944 63.326 61.300 0.137 0.000 1.324 606 I CB -0.641 37.424 38.000 0.109 0.000 1.037 606 I HN 0.160 nan 8.210 nan 0.000 0.401 607 N N 0.414 119.001 118.700 -0.189 0.000 2.381 607 N HA -0.057 4.684 4.740 0.002 0.000 0.182 607 N C 1.610 176.820 175.510 -0.501 0.000 1.025 607 N CA 0.791 53.570 53.050 -0.452 0.000 0.888 607 N CB -0.057 37.879 38.487 -0.918 0.000 0.965 607 N HN 0.343 nan 8.380 nan 0.000 0.438 608 A N 0.048 122.664 122.820 -0.340 0.000 2.178 608 A HA 0.057 4.378 4.320 0.002 0.000 0.211 608 A C 2.162 179.735 177.584 -0.019 0.000 1.157 608 A CA 0.594 52.553 52.037 -0.129 0.000 0.780 608 A CB -0.269 18.644 19.000 -0.144 0.000 0.828 608 A HN 0.076 nan 8.150 nan 0.000 0.476 609 T N -1.292 113.309 114.554 0.077 0.000 2.708 609 T HA -0.179 4.172 4.350 0.002 0.000 0.266 609 T C 1.740 176.579 174.700 0.232 0.000 1.037 609 T CA 1.967 64.194 62.100 0.212 0.000 1.146 609 T CB -0.392 68.652 68.868 0.293 0.000 0.865 609 T HN 0.606 nan 8.240 nan 0.000 0.435 610 Y N 1.605 121.986 120.300 0.135 0.000 2.145 610 Y HA -0.039 4.513 4.550 0.002 0.000 0.286 610 Y C 2.459 178.421 175.900 0.103 0.000 1.145 610 Y CA 1.361 59.549 58.100 0.146 0.000 1.148 610 Y CB -0.958 37.638 38.460 0.226 0.000 0.981 610 Y HN 0.188 nan 8.280 nan 0.000 0.507 611 G N -0.103 108.664 108.800 -0.055 0.000 2.469 611 G HA2 -0.304 3.657 3.960 0.002 0.000 0.219 611 G HA3 -0.304 3.657 3.960 0.002 0.000 0.219 611 G C 1.743 176.464 174.900 -0.298 0.000 1.150 611 G CA 2.083 47.084 45.100 -0.164 0.000 0.763 611 G HN 0.579 nan 8.290 nan 0.000 0.561 612 V N -2.494 117.204 119.914 -0.359 0.000 2.407 612 V HA 0.139 4.261 4.120 0.002 0.000 0.245 612 V C 2.411 177.977 176.094 -0.881 0.000 1.041 612 V CA 1.399 63.294 62.300 -0.676 0.000 1.040 612 V CB -0.716 30.574 31.823 -0.888 0.000 0.671 612 V HN 0.166 nan 8.190 nan 0.000 0.455 613 F N 2.412 122.017 119.950 -0.575 0.000 2.407 613 F HA 0.261 4.789 4.527 0.002 0.000 0.299 613 F C 2.454 178.176 175.800 -0.131 0.000 1.097 613 F CA 1.449 59.259 58.000 -0.317 0.000 1.422 613 F CB -0.679 38.216 39.000 -0.174 0.000 1.067 613 F HN 0.336 nan 8.300 nan 0.000 0.539 614 G N -0.634 108.026 108.800 -0.234 0.000 2.777 614 G HA2 0.240 4.202 3.960 0.002 0.000 0.211 614 G HA3 0.240 4.202 3.960 0.002 0.000 0.211 614 G C 0.619 175.479 174.900 -0.067 0.000 1.149 614 G CA 0.382 45.356 45.100 -0.210 0.000 0.785 614 G HN 0.340 nan 8.290 nan 0.000 0.536 615 A N 0.867 123.588 122.820 -0.164 0.000 2.363 615 A HA 0.491 4.813 4.320 0.002 0.000 0.270 615 A C 1.173 178.497 177.584 -0.433 0.000 1.121 615 A CA 0.119 52.014 52.037 -0.236 0.000 0.800 615 A CB 0.485 19.366 19.000 -0.199 0.000 1.052 615 A HN 0.471 nan 8.150 nan 0.000 0.493 616 E N 1.444 121.239 120.200 -0.676 0.000 2.358 616 E HA -0.137 4.214 4.350 0.002 0.000 0.195 616 E C 1.183 177.526 176.600 -0.427 0.000 1.010 616 E CA 1.283 57.047 56.400 -1.060 0.000 0.856 616 E CB -0.507 28.741 29.700 -0.753 0.000 0.795 616 E HN 0.703 nan 8.360 nan 0.000 0.504 617 T N -0.975 113.443 114.554 -0.227 0.000 2.995 617 T HA -0.098 4.253 4.350 0.002 0.000 0.269 617 T C 0.503 175.192 174.700 -0.019 0.000 1.091 617 T CA -0.107 61.933 62.100 -0.101 0.000 1.128 617 T CB -0.496 68.327 68.868 -0.075 0.000 0.891 617 T HN 0.145 nan 8.240 nan 0.000 0.492 618 F N 4.122 123.970 119.950 -0.170 0.000 2.578 618 F HA 0.275 4.804 4.527 0.003 0.000 0.376 618 F C -1.659 174.101 175.800 -0.067 0.000 1.085 618 F CA -2.704 55.209 58.000 -0.145 0.000 1.260 618 F CB 1.070 39.952 39.000 -0.196 0.000 1.095 618 F HN -0.058 nan 8.300 nan 0.000 0.573 619 P HA -0.137 nan 4.420 nan 0.000 0.221 619 P C 0.872 177.955 177.300 -0.361 0.000 1.145 619 P CA 1.534 64.387 63.100 -0.411 0.000 0.795 619 P CB 0.099 31.561 31.700 -0.396 0.000 0.775 620 L N -2.987 117.908 121.223 -0.547 0.000 2.872 620 L HA 0.201 4.542 4.340 0.002 0.000 0.245 620 L C 0.412 177.410 176.870 0.213 0.000 1.211 620 L CA -0.831 53.897 54.840 -0.187 0.000 1.013 620 L CB -0.507 41.494 42.059 -0.096 0.000 1.326 620 L HN -0.047 nan 8.230 nan 0.000 0.525 621 Y N 2.073 122.454 120.300 0.134 0.000 2.496 621 Y HA 0.368 4.919 4.550 0.002 0.000 0.334 621 Y C 0.235 176.237 175.900 0.170 0.000 1.080 621 Y CA -0.795 57.432 58.100 0.213 0.000 1.355 621 Y CB 0.593 39.139 38.460 0.143 0.000 1.193 621 Y HN 0.093 nan 8.280 nan 0.000 0.523 622 A N 9.555 132.182 122.820 -0.322 0.000 2.310 622 A HA 0.443 4.765 4.320 0.002 0.000 0.304 622 A C -1.941 175.244 177.584 -0.664 0.000 1.231 622 A CA -1.778 50.063 52.037 -0.327 0.000 0.799 622 A CB 0.829 19.838 19.000 0.015 0.000 1.162 622 A HN 0.665 nan 8.150 nan 0.000 0.486 623 P HA -0.220 nan 4.420 nan 0.000 0.217 623 P C 1.108 178.286 177.300 -0.202 0.000 1.151 623 P CA 1.326 64.166 63.100 -0.432 0.000 0.849 623 P CB 0.215 31.873 31.700 -0.070 0.000 0.787 624 R N -0.699 119.712 120.500 -0.149 0.000 2.189 624 R HA -0.008 4.334 4.340 0.002 0.000 0.218 624 R C 2.344 178.414 176.300 -0.384 0.000 1.074 624 R CA 0.590 56.526 56.100 -0.273 0.000 0.991 624 R CB -1.124 29.175 30.300 -0.001 0.000 0.883 624 R HN 0.104 nan 8.270 nan 0.000 0.457 625 V N 0.542 120.332 119.914 -0.206 0.000 2.323 625 V HA -0.194 3.927 4.120 0.002 0.000 0.244 625 V C 2.289 178.313 176.094 -0.117 0.000 1.041 625 V CA 2.006 64.221 62.300 -0.141 0.000 1.025 625 V CB -0.633 31.160 31.823 -0.050 0.000 0.656 625 V HN 0.415 nan 8.190 nan 0.000 0.451 626 A N -0.391 122.382 122.820 -0.079 0.000 1.902 626 A HA -0.235 4.086 4.320 0.002 0.000 0.217 626 A C 2.146 179.743 177.584 0.021 0.000 1.181 626 A CA 1.902 53.980 52.037 0.069 0.000 0.623 626 A CB -0.457 18.596 19.000 0.089 0.000 0.818 626 A HN 0.623 nan 8.150 nan 0.000 0.443 627 E N -0.242 119.908 120.200 -0.084 0.000 2.106 627 E HA -0.084 4.267 4.350 0.002 0.000 0.192 627 E C 2.215 178.701 176.600 -0.190 0.000 0.984 627 E CA 1.154 57.502 56.400 -0.087 0.000 0.806 627 E CB -0.103 29.591 29.700 -0.010 0.000 0.750 627 E HN 0.547 nan 8.360 nan 0.000 0.458 628 S N 0.261 115.751 115.700 -0.351 0.000 2.423 628 S HA -0.099 4.373 4.470 0.002 0.000 0.231 628 S C 2.087 176.510 174.600 -0.293 0.000 1.014 628 S CA 0.562 58.577 58.200 -0.309 0.000 0.965 628 S CB 0.043 63.051 63.200 -0.321 0.000 0.785 628 S HN 0.056 nan 8.310 nan 0.000 0.495 629 V N 2.174 121.913 119.914 -0.293 0.000 2.323 629 V HA -0.149 3.973 4.120 0.002 0.000 0.244 629 V C 2.849 178.575 176.094 -0.613 0.000 1.041 629 V CA 2.049 64.082 62.300 -0.444 0.000 1.025 629 V CB -1.371 30.181 31.823 -0.451 0.000 0.656 629 V HN 0.715 nan 8.190 nan 0.000 0.451 630 T N -0.986 113.261 114.554 -0.511 0.000 2.821 630 T HA -0.098 4.253 4.350 0.002 0.000 0.267 630 T C 1.957 176.523 174.700 -0.224 0.000 1.046 630 T CA 1.361 63.226 62.100 -0.392 0.000 1.139 630 T CB -0.483 68.274 68.868 -0.185 0.000 0.871 630 T HN 0.436 nan 8.240 nan 0.000 0.454 631 A N 2.273 124.980 122.820 -0.188 0.000 1.851 631 A HA 0.072 4.394 4.320 0.002 0.000 0.216 631 A C 2.416 179.893 177.584 -0.179 0.000 1.195 631 A CA 1.682 53.642 52.037 -0.128 0.000 0.622 631 A CB -1.117 17.829 19.000 -0.089 0.000 0.831 631 A HN 0.532 nan 8.150 nan 0.000 0.444 632 L N -0.420 120.604 121.223 -0.331 0.000 2.265 632 L HA -0.082 4.260 4.340 0.002 0.000 0.215 632 L C 2.661 179.285 176.870 -0.409 0.000 1.117 632 L CA 0.680 55.223 54.840 -0.496 0.000 0.782 632 L CB -0.618 40.904 42.059 -0.895 0.000 0.914 632 L HN 0.515 nan 8.230 nan 0.000 0.441 633 G N -0.047 108.567 108.800 -0.309 0.000 2.394 633 G HA2 -0.194 3.768 3.960 0.002 0.000 0.214 633 G HA3 -0.194 3.768 3.960 0.002 0.000 0.214 633 G C 1.744 176.551 174.900 -0.155 0.000 1.176 633 G CA 0.299 45.282 45.100 -0.195 0.000 0.786 633 G HN 0.245 nan 8.290 nan 0.000 0.533 634 R N -0.974 119.467 120.500 -0.098 0.000 2.083 634 R HA -0.093 4.248 4.340 0.002 0.000 0.237 634 R C 2.324 178.597 176.300 -0.044 0.000 1.137 634 R CA 1.434 57.500 56.100 -0.056 0.000 0.951 634 R CB -0.685 29.599 30.300 -0.026 0.000 0.851 634 R HN 0.442 nan 8.270 nan 0.000 0.434 635 Y N 0.732 120.938 120.300 -0.157 0.000 2.207 635 Y HA -0.248 4.304 4.550 0.002 0.000 0.287 635 Y C 2.011 177.840 175.900 -0.118 0.000 1.156 635 Y CA 1.404 59.435 58.100 -0.116 0.000 1.182 635 Y CB 0.023 38.391 38.460 -0.154 0.000 0.979 635 Y HN -0.172 nan 8.280 nan 0.000 0.521 636 V N -0.788 119.042 119.914 -0.140 0.000 2.535 636 V HA -0.193 3.928 4.120 0.002 0.000 0.246 636 V C 2.091 178.144 176.094 -0.068 0.000 1.045 636 V CA 1.587 63.696 62.300 -0.319 0.000 1.058 636 V CB -0.302 31.115 31.823 -0.677 0.000 0.689 636 V HN 0.408 nan 8.190 nan 0.000 0.461 637 I N -0.341 120.162 120.570 -0.112 0.000 2.333 637 I HA -0.149 4.022 4.170 0.002 0.000 0.246 637 I C 2.422 178.565 176.117 0.045 0.000 1.106 637 I CA 1.762 63.063 61.300 0.001 0.000 1.411 637 I CB -0.294 37.670 38.000 -0.060 0.000 1.082 637 I HN 0.233 nan 8.210 nan 0.000 0.420 638 T N -0.568 113.977 114.554 -0.016 0.000 2.665 638 T HA -0.228 4.123 4.350 0.002 0.000 0.268 638 T C 2.104 176.805 174.700 0.002 0.000 1.035 638 T CA 2.000 64.082 62.100 -0.031 0.000 1.151 638 T CB -0.457 68.358 68.868 -0.088 0.000 0.862 638 T HN 0.434 nan 8.240 nan 0.000 0.438 639 S N 0.130 115.845 115.700 0.024 0.000 2.402 639 S HA -0.113 4.358 4.470 0.002 0.000 0.229 639 S C 2.084 176.875 174.600 0.319 0.000 1.021 639 S CA 1.667 59.962 58.200 0.159 0.000 0.974 639 S CB -0.580 62.793 63.200 0.289 0.000 0.800 639 S HN 0.524 nan 8.310 nan 0.000 0.484 640 T N 1.090 115.874 114.554 0.382 0.000 3.023 640 T HA 0.092 4.444 4.350 0.002 0.000 0.266 640 T C 1.693 176.487 174.700 0.156 0.000 1.093 640 T CA 0.849 63.196 62.100 0.413 0.000 1.129 640 T CB -0.074 69.115 68.868 0.533 0.000 0.899 640 T HN 0.237 nan 8.240 nan 0.000 0.491 641 V N 1.471 121.443 119.914 0.096 0.000 2.379 641 V HA -0.097 4.024 4.120 0.002 0.000 0.245 641 V C 2.472 178.550 176.094 -0.027 0.000 1.044 641 V CA 1.398 63.712 62.300 0.024 0.000 1.036 641 V CB -0.309 31.520 31.823 0.009 0.000 0.664 641 V HN 0.427 nan 8.190 nan 0.000 0.453 642 K N 0.077 120.455 120.400 -0.035 0.000 2.063 642 K HA -0.255 4.067 4.320 0.002 0.000 0.208 642 K C 2.221 178.729 176.600 -0.152 0.000 1.048 642 K CA 1.568 57.808 56.287 -0.078 0.000 0.928 642 K CB -0.194 32.269 32.500 -0.062 0.000 0.713 642 K HN 0.186 nan 8.250 nan 0.000 0.442 643 K N 0.950 121.200 120.400 -0.250 0.000 2.211 643 K HA -0.032 4.290 4.320 0.002 0.000 0.203 643 K C 1.744 178.185 176.600 -0.264 0.000 1.050 643 K CA 1.077 57.105 56.287 -0.431 0.000 0.945 643 K CB -0.092 31.848 32.500 -0.932 0.000 0.732 643 K HN 0.148 nan 8.250 nan 0.000 0.451 644 A N 0.447 123.175 122.820 -0.152 0.000 1.968 644 A HA -0.072 4.249 4.320 0.002 0.000 0.217 644 A C 1.923 179.456 177.584 -0.084 0.000 1.169 644 A CA 1.168 53.149 52.037 -0.094 0.000 0.638 644 A CB -0.300 18.672 19.000 -0.047 0.000 0.812 644 A HN 0.282 nan 8.150 nan 0.000 0.446 645 R N -0.120 120.328 120.500 -0.085 0.000 2.235 645 R HA -0.008 4.333 4.340 0.002 0.000 0.213 645 R C 0.324 176.577 176.300 -0.078 0.000 1.059 645 R CA 1.127 57.185 56.100 -0.071 0.000 0.997 645 R CB -0.010 30.252 30.300 -0.062 0.000 0.884 645 R HN 0.579 nan 8.270 nan 0.000 0.462 646 E N 0.118 120.254 120.200 -0.108 0.000 2.651 646 E HA 0.074 4.426 4.350 0.002 0.000 0.213 646 E C 0.004 176.534 176.600 -0.118 0.000 1.028 646 E CA -0.044 56.290 56.400 -0.110 0.000 1.183 646 E CB 0.762 30.382 29.700 -0.133 0.000 1.188 646 E HN 0.110 nan 8.360 nan 0.000 0.444 647 E N -0.569 119.573 120.200 -0.098 0.000 2.712 647 E HA 0.102 4.453 4.350 0.002 0.000 0.221 647 E C 0.826 177.394 176.600 -0.053 0.000 0.943 647 E CA 0.218 56.568 56.400 -0.083 0.000 1.259 647 E CB 1.435 31.076 29.700 -0.099 0.000 1.167 647 E HN 0.396 nan 8.360 nan 0.000 0.569 648 G N 1.657 110.430 108.800 -0.045 0.000 2.175 648 G HA2 -0.263 3.699 3.960 0.002 0.000 0.244 648 G HA3 -0.263 3.699 3.960 0.002 0.000 0.244 648 G C 0.306 175.193 174.900 -0.022 0.000 0.982 648 G CA 0.346 45.430 45.100 -0.028 0.000 0.641 648 G HN 0.160 nan 8.290 nan 0.000 0.527 649 L N 1.618 122.822 121.223 -0.031 0.000 2.349 649 L HA 0.595 4.937 4.340 0.002 0.000 0.275 649 L C 1.056 177.910 176.870 -0.027 0.000 1.115 649 L CA 0.104 54.930 54.840 -0.024 0.000 0.820 649 L CB 1.497 43.538 42.059 -0.030 0.000 1.135 649 L HN 0.305 nan 8.230 nan 0.000 0.445 650 T N 0.810 115.352 114.554 -0.020 0.000 2.758 650 T HA 0.497 4.848 4.350 0.002 0.000 0.285 650 T C -0.431 174.237 174.700 -0.052 0.000 0.981 650 T CA -0.666 61.411 62.100 -0.037 0.000 0.965 650 T CB 1.128 69.978 68.868 -0.029 0.000 0.927 650 T HN 0.226 nan 8.240 nan 0.000 0.448 651 V N 7.279 127.151 119.914 -0.070 0.000 2.288 651 V HA 0.262 4.384 4.120 0.002 0.000 0.266 651 V C 1.212 177.225 176.094 -0.135 0.000 1.048 651 V CA -0.443 61.816 62.300 -0.068 0.000 0.842 651 V CB 0.159 31.953 31.823 -0.049 0.000 1.064 651 V HN 0.935 nan 8.190 nan 0.000 0.472 652 L N 3.843 124.953 121.223 -0.188 0.000 1.993 652 L HA 0.078 4.419 4.340 0.002 0.000 0.206 652 L C 0.590 177.261 176.870 -0.332 0.000 1.074 652 L CA 1.544 56.143 54.840 -0.402 0.000 0.746 652 L CB -0.117 41.562 42.059 -0.633 0.000 0.896 652 L HN 0.525 nan 8.230 nan 0.000 0.435 653 Y N -0.217 119.851 120.300 -0.388 0.000 2.524 653 Y HA 0.635 5.186 4.550 0.002 0.000 0.344 653 Y C -0.198 175.652 175.900 -0.083 0.000 1.012 653 Y CA -1.592 56.284 58.100 -0.373 0.000 1.068 653 Y CB 2.038 40.063 38.460 -0.725 0.000 1.249 653 Y HN -0.082 nan 8.280 nan 0.000 0.468 654 G N 5.429 113.883 108.800 -0.576 0.000 2.552 654 G HA2 0.375 4.336 3.960 0.002 0.000 0.288 654 G HA3 0.375 4.336 3.960 0.002 0.000 0.288 654 G C -1.660 172.938 174.900 -0.503 0.000 1.358 654 G CA -0.741 44.108 45.100 -0.417 0.000 1.305 654 G HN 0.691 nan 8.290 nan 0.000 0.602 655 D N 0.201 120.336 120.400 -0.442 0.000 2.570 655 D HA 0.295 4.937 4.640 0.002 0.000 0.266 655 D C 1.652 177.880 176.300 -0.121 0.000 1.182 655 D CA 0.397 54.249 54.000 -0.246 0.000 1.088 655 D CB 0.257 40.949 40.800 -0.181 0.000 1.186 655 D HN 0.355 nan 8.370 nan 0.000 0.618 656 T N -2.389 112.109 114.554 -0.092 0.000 2.788 656 T HA -0.164 4.188 4.350 0.002 0.000 0.268 656 T C 0.741 175.360 174.700 -0.135 0.000 1.044 656 T CA 1.792 63.824 62.100 -0.114 0.000 1.139 656 T CB -0.492 68.279 68.868 -0.162 0.000 0.867 656 T HN 0.578 nan 8.240 nan 0.000 0.454 657 D N -0.747 119.608 120.400 -0.076 0.000 2.636 657 D HA 0.401 5.043 4.640 0.002 0.000 0.270 657 D C -0.305 176.108 176.300 0.189 0.000 1.430 657 D CA -0.557 53.461 54.000 0.031 0.000 0.796 657 D CB 0.143 40.922 40.800 -0.036 0.000 1.117 657 D HN 0.245 nan 8.370 nan 0.000 0.480 658 S N -0.348 115.419 115.700 0.112 0.000 2.564 658 S HA 0.731 5.203 4.470 0.002 0.000 0.274 658 S C -1.580 173.067 174.600 0.079 0.000 1.124 658 S CA -0.738 57.517 58.200 0.093 0.000 0.869 658 S CB 1.237 64.499 63.200 0.104 0.000 1.105 658 S HN 0.222 nan 8.310 nan 0.000 0.472 659 L N 3.084 124.341 121.223 0.056 0.000 2.504 659 L HA 0.492 4.833 4.340 0.002 0.000 0.265 659 L C -1.507 175.405 176.870 0.069 0.000 0.975 659 L CA -0.419 54.469 54.840 0.079 0.000 0.864 659 L CB 1.091 43.181 42.059 0.051 0.000 1.212 659 L HN 0.532 nan 8.230 nan 0.000 0.416 660 F N 3.910 123.847 119.950 -0.022 0.000 2.472 660 F HA 0.341 4.869 4.527 0.002 0.000 0.364 660 F C 0.029 175.826 175.800 -0.005 0.000 1.090 660 F CA -0.068 57.951 58.000 0.032 0.000 1.188 660 F CB 0.835 39.895 39.000 0.100 0.000 1.105 660 F HN 0.190 nan 8.300 nan 0.000 0.536 661 L N 4.410 125.701 121.223 0.113 0.000 2.341 661 L HA 0.447 4.788 4.340 0.002 0.000 0.278 661 L C -0.612 176.308 176.870 0.084 0.000 1.005 661 L CA -0.636 54.239 54.840 0.059 0.000 0.818 661 L CB 1.734 43.803 42.059 0.015 0.000 1.259 661 L HN 0.486 nan 8.230 nan 0.000 0.418 662 L N 3.980 125.241 121.223 0.063 0.000 2.313 662 L HA 0.234 4.575 4.340 0.002 0.000 0.282 662 L C 0.453 177.381 176.870 0.097 0.000 1.092 662 L CA -0.430 54.470 54.840 0.100 0.000 0.831 662 L CB 0.419 42.525 42.059 0.078 0.000 1.159 662 L HN 0.826 nan 8.230 nan 0.000 0.442 663 N N 6.344 125.120 118.700 0.127 0.000 1.754 663 N HA -0.120 4.621 4.740 0.002 0.000 0.295 663 N C -2.399 173.152 175.510 0.069 0.000 1.315 663 N CA -0.282 52.829 53.050 0.102 0.000 0.950 663 N CB 0.049 38.612 38.487 0.127 0.000 1.311 663 N HN 0.274 nan 8.380 nan 0.000 0.479 664 P HA 0.478 nan 4.420 nan 0.000 0.285 664 P C -2.799 174.515 177.300 0.023 0.000 1.285 664 P CA -1.669 61.448 63.100 0.028 0.000 0.854 664 P CB 0.597 32.305 31.700 0.014 0.000 1.180 665 P HA 0.235 nan 4.420 nan 0.000 0.274 665 P C 0.197 177.501 177.300 0.007 0.000 1.231 665 P CA -0.247 62.860 63.100 0.012 0.000 0.790 665 P CB 0.895 32.600 31.700 0.008 0.000 0.951 666 K N 1.110 121.514 120.400 0.007 0.000 2.283 666 K HA -0.153 4.169 4.320 0.002 0.000 0.202 666 K C 1.808 178.408 176.600 0.001 0.000 1.048 666 K CA 1.397 57.686 56.287 0.003 0.000 0.948 666 K CB -0.573 31.930 32.500 0.005 0.000 0.742 666 K HN 0.438 nan 8.250 nan 0.000 0.458 667 N N 0.691 119.392 118.700 0.001 0.000 2.106 667 N HA -0.174 4.567 4.740 0.002 0.000 0.188 667 N C 1.531 177.039 175.510 -0.003 0.000 1.029 667 N CA 1.805 54.855 53.050 -0.000 0.000 0.848 667 N CB -0.122 38.364 38.487 -0.000 0.000 1.007 667 N HN 0.193 nan 8.380 nan 0.000 0.423 668 S N -0.291 115.405 115.700 -0.006 0.000 2.436 668 S HA 0.026 4.497 4.470 0.002 0.000 0.228 668 S C 2.054 176.647 174.600 -0.012 0.000 1.014 668 S CA 0.317 58.509 58.200 -0.013 0.000 0.950 668 S CB -0.573 62.616 63.200 -0.018 0.000 0.784 668 S HN 0.339 nan 8.310 nan 0.000 0.504 669 L N 1.254 122.472 121.223 -0.008 0.000 2.017 669 L HA -0.031 4.310 4.340 0.002 0.000 0.208 669 L C 3.167 180.037 176.870 -0.001 0.000 1.073 669 L CA 1.734 56.568 54.840 -0.009 0.000 0.745 669 L CB -0.576 41.475 42.059 -0.014 0.000 0.894 669 L HN 0.372 nan 8.230 nan 0.000 0.432 670 E N 0.500 120.702 120.200 0.002 0.000 2.265 670 E HA -0.199 4.153 4.350 0.002 0.000 0.196 670 E C 1.674 178.291 176.600 0.028 0.000 0.996 670 E CA 1.105 57.511 56.400 0.010 0.000 0.832 670 E CB -0.045 29.659 29.700 0.006 0.000 0.756 670 E HN 0.593 nan 8.360 nan 0.000 0.491 671 N N 0.156 118.872 118.700 0.025 0.000 2.109 671 N HA -0.124 4.617 4.740 0.002 0.000 0.188 671 N C 2.157 177.725 175.510 0.096 0.000 1.034 671 N CA 1.595 54.670 53.050 0.041 0.000 0.846 671 N CB -0.199 38.289 38.487 0.001 0.000 1.010 671 N HN 0.248 nan 8.380 nan 0.000 0.425 672 I N -1.460 119.153 120.570 0.072 0.000 2.546 672 I HA -0.022 4.149 4.170 0.002 0.000 0.255 672 I C 1.721 177.978 176.117 0.234 0.000 1.163 672 I CA 0.953 62.343 61.300 0.151 0.000 1.457 672 I CB -0.250 37.781 38.000 0.051 0.000 1.092 672 I HN 0.067 nan 8.210 nan 0.000 0.434 673 I N 1.373 122.010 120.570 0.112 0.000 2.133 673 I HA -0.213 3.958 4.170 0.002 0.000 0.238 673 I C 2.643 178.810 176.117 0.084 0.000 1.074 673 I CA 1.544 62.881 61.300 0.061 0.000 1.342 673 I CB -0.300 37.703 38.000 0.005 0.000 1.053 673 I HN 0.157 nan 8.210 nan 0.000 0.404 674 K N -0.271 120.180 120.400 0.085 0.000 2.362 674 K HA -0.236 4.085 4.320 0.002 0.000 0.200 674 K C 1.929 178.589 176.600 0.100 0.000 1.046 674 K CA 1.047 57.374 56.287 0.067 0.000 0.952 674 K CB -0.111 32.420 32.500 0.051 0.000 0.753 674 K HN 0.376 nan 8.250 nan 0.000 0.466 675 W N 0.143 121.436 121.300 -0.012 0.000 2.476 675 W HA -0.123 4.539 4.660 0.002 0.000 0.281 675 W C 1.244 177.757 176.519 -0.010 0.000 1.230 675 W CA 0.587 57.921 57.345 -0.017 0.000 1.287 675 W CB -0.025 29.427 29.460 -0.014 0.000 1.108 675 W HN -0.262 nan 8.180 nan 0.000 0.567 676 V N 1.593 121.488 119.914 -0.030 0.000 2.427 676 V HA -0.273 3.848 4.120 0.002 0.000 0.248 676 V C 2.530 178.538 176.094 -0.144 0.000 1.051 676 V CA 1.850 64.066 62.300 -0.140 0.000 1.048 676 V CB -0.806 31.132 31.823 0.192 0.000 0.666 676 V HN 0.017 nan 8.190 nan 0.000 0.456 677 K N 0.025 120.378 120.400 -0.077 0.000 2.209 677 K HA -0.114 4.208 4.320 0.002 0.000 0.204 677 K C 2.059 178.576 176.600 -0.138 0.000 1.048 677 K CA 1.657 57.902 56.287 -0.070 0.000 0.940 677 K CB -0.445 32.031 32.500 -0.040 0.000 0.729 677 K HN 0.502 nan 8.250 nan 0.000 0.451 678 T N 0.007 114.427 114.554 -0.225 0.000 3.044 678 T HA 0.010 4.362 4.350 0.002 0.000 0.255 678 T C 1.725 176.207 174.700 -0.364 0.000 1.073 678 T CA 0.877 62.836 62.100 -0.235 0.000 1.125 678 T CB 0.234 69.001 68.868 -0.168 0.000 0.908 678 T HN 0.209 nan 8.240 nan 0.000 0.480 679 T N 1.733 115.892 114.554 -0.660 0.000 2.739 679 T HA 0.247 4.599 4.350 0.002 0.000 0.249 679 T C 0.583 174.870 174.700 -0.689 0.000 1.050 679 T CA 0.734 62.301 62.100 -0.889 0.000 1.165 679 T CB -0.194 67.647 68.868 -1.712 0.000 0.872 679 T HN 0.193 nan 8.240 nan 0.000 0.411 680 F N 0.817 120.667 119.950 -0.167 0.000 2.476 680 F HA 0.436 4.965 4.527 0.002 0.000 0.358 680 F C 1.198 176.921 175.800 -0.129 0.000 1.091 680 F CA -1.519 56.448 58.000 -0.055 0.000 1.131 680 F CB 0.211 39.313 39.000 0.169 0.000 1.653 680 F HN -0.045 nan 8.300 nan 0.000 0.518 681 N N 0.158 118.903 118.700 0.074 0.000 2.598 681 N HA 0.344 5.085 4.740 0.002 0.000 0.309 681 N C -1.568 173.971 175.510 0.048 0.000 1.645 681 N CA 0.030 53.071 53.050 -0.015 0.000 0.936 681 N CB 0.191 38.608 38.487 -0.117 0.000 1.323 681 N HN 0.306 nan 8.380 nan 0.000 0.497 682 L N -0.249 121.072 121.223 0.163 0.000 2.352 682 L HA 0.479 4.821 4.340 0.002 0.000 0.269 682 L C -0.148 176.809 176.870 0.144 0.000 1.034 682 L CA -0.921 54.045 54.840 0.211 0.000 0.806 682 L CB 1.376 43.679 42.059 0.406 0.000 1.244 682 L HN 0.024 nan 8.230 nan 0.000 0.447 683 D N 2.735 123.203 120.400 0.114 0.000 2.428 683 D HA 0.314 4.956 4.640 0.002 0.000 0.221 683 D C -0.620 175.647 176.300 -0.055 0.000 1.123 683 D CA -0.312 53.703 54.000 0.026 0.000 0.869 683 D CB 2.277 43.086 40.800 0.014 0.000 1.032 683 D HN 0.098 nan 8.370 nan 0.000 0.506 684 L N 2.982 124.110 121.223 -0.159 0.000 2.334 684 L HA 0.297 4.639 4.340 0.002 0.000 0.277 684 L C 0.137 176.895 176.870 -0.187 0.000 1.075 684 L CA 0.067 54.695 54.840 -0.353 0.000 0.804 684 L CB 0.909 42.709 42.059 -0.432 0.000 1.174 684 L HN 0.393 nan 8.230 nan 0.000 0.438 685 E N 2.323 122.412 120.200 -0.185 0.000 2.437 685 E HA 0.331 4.682 4.350 0.002 0.000 0.280 685 E C -1.593 174.944 176.600 -0.106 0.000 1.044 685 E CA -1.023 55.311 56.400 -0.110 0.000 0.826 685 E CB 1.333 30.988 29.700 -0.075 0.000 1.358 685 E HN 0.186 nan 8.360 nan 0.000 0.459 686 V N 2.465 122.332 119.914 -0.077 0.000 2.370 686 V HA -0.021 4.101 4.120 0.002 0.000 0.257 686 V C 0.578 176.626 176.094 -0.078 0.000 1.064 686 V CA 0.441 62.694 62.300 -0.077 0.000 0.975 686 V CB 0.045 31.835 31.823 -0.055 0.000 1.067 686 V HN 0.746 nan 8.190 nan 0.000 0.485 687 D N 4.338 124.676 120.400 -0.103 0.000 2.092 687 D HA 0.018 4.659 4.640 0.002 0.000 0.203 687 D C 1.016 177.252 176.300 -0.107 0.000 0.978 687 D CA 1.486 55.428 54.000 -0.098 0.000 0.861 687 D CB 0.387 41.117 40.800 -0.118 0.000 1.005 687 D HN 0.540 nan 8.370 nan 0.000 0.450 688 K N -1.865 118.420 120.400 -0.191 0.000 2.378 688 K HA 0.555 4.877 4.320 0.002 0.000 0.244 688 K C -1.160 175.263 176.600 -0.294 0.000 1.039 688 K CA -0.677 55.457 56.287 -0.255 0.000 0.863 688 K CB 2.315 34.522 32.500 -0.490 0.000 1.326 688 K HN -0.147 nan 8.250 nan 0.000 0.460 689 T N 1.634 115.964 114.554 -0.373 0.000 3.296 689 T HA 0.233 4.584 4.350 0.002 0.000 0.333 689 T C -1.232 173.213 174.700 -0.424 0.000 1.280 689 T CA -0.593 61.344 62.100 -0.272 0.000 1.558 689 T CB -0.367 68.449 68.868 -0.088 0.000 0.929 689 T HN 0.274 nan 8.240 nan 0.000 0.596 690 Y N 1.818 121.905 120.300 -0.355 0.000 2.702 690 Y HA 0.103 4.654 4.550 0.002 0.000 0.336 690 Y C 1.823 177.651 175.900 -0.120 0.000 1.235 690 Y CA -0.267 57.608 58.100 -0.376 0.000 1.492 690 Y CB 0.639 38.986 38.460 -0.189 0.000 1.308 690 Y HN 0.296 nan 8.280 nan 0.000 0.589 691 K N 2.507 122.986 120.400 0.132 0.000 2.057 691 K HA -0.022 4.299 4.320 0.002 0.000 0.207 691 K C -0.501 176.354 176.600 0.425 0.000 1.049 691 K CA 1.388 57.829 56.287 0.256 0.000 0.931 691 K CB -0.026 32.644 32.500 0.283 0.000 0.714 691 K HN 0.567 nan 8.250 nan 0.000 0.440 692 F N -2.943 117.116 119.950 0.182 0.000 2.770 692 F HA 0.530 5.059 4.527 0.002 0.000 0.313 692 F C -1.870 173.913 175.800 -0.028 0.000 1.154 692 F CA -1.332 56.731 58.000 0.104 0.000 0.923 692 F CB 0.974 40.035 39.000 0.101 0.000 1.301 692 F HN -0.322 nan 8.300 nan 0.000 0.449 693 V N 1.848 121.495 119.914 -0.445 0.000 2.876 693 V HA 0.957 5.078 4.120 0.002 0.000 0.312 693 V C -0.646 175.081 176.094 -0.613 0.000 1.085 693 V CA -0.437 61.421 62.300 -0.736 0.000 0.945 693 V CB 1.536 33.033 31.823 -0.543 0.000 1.017 693 V HN 1.285 nan 8.190 nan 0.000 0.428 694 A N 2.669 125.019 122.820 -0.783 0.000 2.386 694 A HA 0.983 5.305 4.320 0.002 0.000 0.311 694 A C -1.385 175.761 177.584 -0.730 0.000 1.068 694 A CA -0.338 51.385 52.037 -0.523 0.000 0.743 694 A CB 1.165 19.956 19.000 -0.348 0.000 1.258 694 A HN 0.588 nan 8.150 nan 0.000 0.429 695 F N 0.559 120.455 119.950 -0.090 0.000 2.661 695 F HA 0.811 5.339 4.527 0.002 0.000 0.347 695 F C 0.888 176.604 175.800 -0.140 0.000 1.086 695 F CA 0.009 57.935 58.000 -0.123 0.000 1.016 695 F CB 2.231 41.157 39.000 -0.125 0.000 1.368 695 F HN 0.752 nan 8.300 nan 0.000 0.505 702 Y N -1.051 119.093 120.300 -0.259 0.000 2.900 702 Y HA 0.872 5.424 4.550 0.002 0.000 0.318 702 Y C -1.929 173.790 175.900 -0.302 0.000 1.457 702 Y CA -1.738 56.131 58.100 -0.387 0.000 1.082 702 Y CB 1.228 39.310 38.460 -0.629 0.000 1.419 702 Y HN 0.133 nan 8.280 nan 0.000 0.459 703 F N 1.841 121.538 119.950 -0.422 0.000 3.094 703 F HA 0.663 5.191 4.527 0.002 0.000 0.385 703 F C 0.022 175.516 175.800 -0.509 0.000 1.231 703 F CA -0.913 56.821 58.000 -0.445 0.000 1.207 703 F CB 0.844 39.607 39.000 -0.395 0.000 1.703 703 F HN 0.953 nan 8.300 nan 0.000 0.610 704 G N 2.298 110.856 108.800 -0.403 0.000 2.539 704 G HA2 0.531 4.492 3.960 0.002 0.000 0.258 704 G HA3 0.531 4.492 3.960 0.002 0.000 0.258 704 G C -1.355 173.335 174.900 -0.350 0.000 1.202 704 G CA -0.395 44.340 45.100 -0.608 0.000 0.851 704 G HN 0.428 nan 8.290 nan 0.000 0.556 705 V N 1.078 120.806 119.914 -0.309 0.000 2.777 705 V HA 0.317 4.438 4.120 0.002 0.000 0.306 705 V C -1.211 175.008 176.094 0.208 0.000 1.112 705 V CA -0.859 61.440 62.300 -0.001 0.000 0.917 705 V CB 1.417 33.198 31.823 -0.070 0.000 1.018 705 V HN 0.723 nan 8.190 nan 0.000 0.426 706 Y N 2.207 122.643 120.300 0.226 0.000 2.458 706 Y HA 0.351 4.902 4.550 0.002 0.000 0.322 706 Y C 1.418 177.423 175.900 0.175 0.000 1.259 706 Y CA -0.076 58.152 58.100 0.214 0.000 1.302 706 Y CB 1.940 40.489 38.460 0.147 0.000 1.314 706 Y HN 0.791 nan 8.280 nan 0.000 0.509 707 Q N -0.779 119.260 119.800 0.399 0.000 2.432 707 Q HA -0.017 4.324 4.340 0.002 0.000 0.205 707 Q C 0.258 176.387 176.000 0.215 0.000 0.945 707 Q CA 1.462 57.425 55.803 0.267 0.000 0.924 707 Q CB -0.080 28.788 28.738 0.218 0.000 1.016 707 Q HN 0.700 nan 8.270 nan 0.000 0.503 708 D N -1.153 119.378 120.400 0.219 0.000 2.367 708 D HA 0.237 4.878 4.640 0.002 0.000 0.207 708 D C 1.241 177.604 176.300 0.104 0.000 1.034 708 D CA 0.706 54.776 54.000 0.116 0.000 0.861 708 D CB 0.508 41.334 40.800 0.043 0.000 0.943 708 D HN 0.318 nan 8.370 nan 0.000 0.515 709 G N -0.381 108.510 108.800 0.152 0.000 3.432 709 G HA2 -0.172 3.789 3.960 0.002 0.000 0.188 709 G HA3 -0.172 3.789 3.960 0.002 0.000 0.188 709 G C -0.192 174.797 174.900 0.147 0.000 2.301 709 G CA -0.345 44.834 45.100 0.131 0.000 1.337 709 G HN 0.327 nan 8.290 nan 0.000 0.406 710 K N 1.556 122.021 120.400 0.108 0.000 2.440 710 K HA 0.439 4.760 4.320 0.002 0.000 0.270 710 K C 0.394 177.080 176.600 0.144 0.000 0.980 710 K CA 0.751 57.091 56.287 0.088 0.000 0.953 710 K CB 0.937 33.457 32.500 0.033 0.000 0.925 710 K HN 1.161 nan 8.250 nan 0.000 0.497 711 V N -0.011 119.939 119.914 0.059 0.000 2.628 711 V HA 0.522 4.644 4.120 0.002 0.000 0.306 711 V C -0.980 175.062 176.094 -0.086 0.000 1.045 711 V CA -0.839 61.452 62.300 -0.015 0.000 0.905 711 V CB 2.038 33.775 31.823 -0.144 0.000 0.997 711 V HN 0.655 nan 8.190 nan 0.000 0.436 712 D N 4.451 124.803 120.400 -0.080 0.000 2.622 712 D HA 0.411 5.052 4.640 0.002 0.000 0.262 712 D C 0.072 176.141 176.300 -0.385 0.000 1.189 712 D CA 0.090 54.035 54.000 -0.093 0.000 0.985 712 D CB 0.556 41.473 40.800 0.195 0.000 0.994 712 D HN 0.614 nan 8.370 nan 0.000 0.513 713 I N 1.641 121.892 120.570 -0.532 0.000 2.389 713 I HA -0.034 4.137 4.170 0.002 0.000 0.295 713 I C 0.803 176.595 176.117 -0.542 0.000 1.117 713 I CA -0.478 60.381 61.300 -0.735 0.000 1.317 713 I CB 0.098 37.597 38.000 -0.836 0.000 1.431 713 I HN -0.132 nan 8.210 nan 0.000 0.521 714 K N 7.413 127.384 120.400 -0.716 0.000 2.349 714 K HA 0.511 4.832 4.320 0.002 0.000 0.289 714 K C 0.420 176.821 176.600 -0.332 0.000 1.064 714 K CA 0.445 56.404 56.287 -0.546 0.000 0.947 714 K CB 0.329 32.348 32.500 -0.802 0.000 1.007 714 K HN 0.757 nan 8.250 nan 0.000 0.478 715 G N 3.970 112.647 108.800 -0.205 0.000 2.806 715 G HA2 -0.223 3.739 3.960 0.002 0.000 0.236 715 G HA3 -0.223 3.739 3.960 0.002 0.000 0.236 715 G C -0.337 174.493 174.900 -0.117 0.000 1.387 715 G CA -0.166 44.858 45.100 -0.128 0.000 0.884 715 G HN 1.100 nan 8.290 nan 0.000 0.560 716 M N -2.698 116.861 119.600 -0.068 0.000 2.298 716 M HA -0.097 4.384 4.480 0.002 0.000 0.196 716 M C -0.108 176.176 176.300 -0.026 0.000 0.531 716 M CA 1.479 56.756 55.300 -0.038 0.000 0.459 716 M CB -1.436 31.144 32.600 -0.033 0.000 1.279 716 M HN 1.832 nan 8.290 nan 0.000 0.915 717 L N -0.483 120.720 121.223 -0.033 0.000 2.367 717 L HA 0.627 4.968 4.340 0.002 0.000 0.263 717 L C -0.790 176.069 176.870 -0.020 0.000 1.473 717 L CA -0.242 54.584 54.840 -0.024 0.000 0.807 717 L CB 0.908 42.931 42.059 -0.060 0.000 0.968 717 L HN 0.084 nan 8.230 nan 0.000 0.520 728 K N 4.220 124.704 120.400 0.141 0.000 2.753 728 K HA 0.749 5.070 4.320 0.002 0.000 0.185 728 K C -0.294 176.367 176.600 0.101 0.000 1.071 728 K CA -0.587 55.781 56.287 0.135 0.000 0.999 728 K CB 1.507 34.063 32.500 0.094 0.000 1.244 728 K HN 0.603 nan 8.250 nan 0.000 0.594 729 K N 0.008 120.476 120.400 0.114 0.000 3.124 729 K HA -0.007 4.314 4.320 0.002 0.000 0.239 729 K C 0.987 177.636 176.600 0.081 0.000 2.430 729 K CA 0.458 56.790 56.287 0.076 0.000 1.531 729 K CB 0.080 32.615 32.500 0.058 0.000 2.699 729 K HN 0.063 nan 8.250 nan 0.000 0.516 730 V N 2.242 122.218 119.914 0.103 0.000 2.358 730 V HA -0.204 3.918 4.120 0.002 0.000 0.246 730 V C 1.977 178.165 176.094 0.156 0.000 1.047 730 V CA 2.097 64.460 62.300 0.106 0.000 1.035 730 V CB -0.470 31.411 31.823 0.097 0.000 0.658 730 V HN 0.323 nan 8.190 nan 0.000 0.452 731 F N 1.487 121.454 119.950 0.028 0.000 2.216 731 F HA -0.123 4.405 4.527 0.002 0.000 0.300 731 F C 2.262 178.095 175.800 0.055 0.000 1.085 731 F CA 1.458 59.477 58.000 0.031 0.000 1.326 731 F CB -0.619 38.393 39.000 0.020 0.000 1.027 731 F HN 0.145 nan 8.300 nan 0.000 0.497 732 N N 0.552 119.195 118.700 -0.095 0.000 2.084 732 N HA -0.226 4.515 4.740 0.002 0.000 0.190 732 N C 1.857 177.294 175.510 -0.122 0.000 1.030 732 N CA 1.539 54.486 53.050 -0.172 0.000 0.849 732 N CB -0.235 38.224 38.487 -0.047 0.000 1.012 732 N HN 0.285 nan 8.380 nan 0.000 0.423 733 E N 0.628 120.803 120.200 -0.042 0.000 2.150 733 E HA -0.058 4.293 4.350 0.002 0.000 0.193 733 E C 1.929 178.523 176.600 -0.009 0.000 0.985 733 E CA 0.562 56.954 56.400 -0.012 0.000 0.814 733 E CB -0.102 29.606 29.700 0.013 0.000 0.752 733 E HN 0.149 nan 8.360 nan 0.000 0.466 734 V N 0.721 120.626 119.914 -0.015 0.000 2.379 734 V HA -0.187 3.934 4.120 0.002 0.000 0.245 734 V C 2.208 178.290 176.094 -0.020 0.000 1.044 734 V CA 1.837 64.144 62.300 0.012 0.000 1.036 734 V CB -0.415 31.457 31.823 0.083 0.000 0.664 734 V HN 0.209 nan 8.190 nan 0.000 0.453 735 K N -0.031 120.289 120.400 -0.134 0.000 2.097 735 K HA -0.188 4.134 4.320 0.002 0.000 0.206 735 K C 2.126 178.736 176.600 0.017 0.000 1.049 735 K CA 1.646 57.869 56.287 -0.106 0.000 0.933 735 K CB -0.114 32.222 32.500 -0.275 0.000 0.717 735 K HN 0.585 nan 8.250 nan 0.000 0.442 736 E N 0.391 120.607 120.200 0.026 0.000 2.170 736 E HA -0.038 4.314 4.350 0.002 0.000 0.191 736 E C 1.939 178.593 176.600 0.090 0.000 0.981 736 E CA 0.472 56.926 56.400 0.090 0.000 0.830 736 E CB 0.152 29.888 29.700 0.059 0.000 0.775 736 E HN 0.224 nan 8.360 nan 0.000 0.470 737 L N 0.309 121.568 121.223 0.060 0.000 2.313 737 L HA -0.002 4.339 4.340 0.002 0.000 0.214 737 L C 2.396 179.305 176.870 0.065 0.000 1.119 737 L CA 0.426 55.303 54.840 0.062 0.000 0.809 737 L CB -0.103 41.983 42.059 0.045 0.000 0.933 737 L HN 0.179 nan 8.230 nan 0.000 0.449 738 M N -0.684 118.952 119.600 0.060 0.000 2.193 738 M HA -0.125 4.356 4.480 0.002 0.000 0.265 738 M C 2.026 178.369 176.300 0.072 0.000 1.071 738 M CA 1.411 56.743 55.300 0.052 0.000 1.140 738 M CB 0.051 32.677 32.600 0.042 0.000 1.369 738 M HN 0.150 nan 8.290 nan 0.000 0.423 739 I N -0.962 119.672 120.570 0.106 0.000 2.761 739 I HA -0.132 4.039 4.170 0.002 0.000 0.261 739 I C 2.337 178.588 176.117 0.224 0.000 1.198 739 I CA 0.993 62.395 61.300 0.170 0.000 1.482 739 I CB -0.866 37.236 38.000 0.170 0.000 1.100 739 I HN 0.211 nan 8.210 nan 0.000 0.445 740 S N 0.553 116.357 115.700 0.173 0.000 2.489 740 S HA 0.045 4.516 4.470 0.002 0.000 0.228 740 S C 1.972 176.658 174.600 0.143 0.000 0.995 740 S CA 0.144 58.446 58.200 0.169 0.000 0.934 740 S CB 0.092 63.370 63.200 0.130 0.000 0.771 740 S HN 0.216 nan 8.310 nan 0.000 0.522 741 I N 2.079 122.716 120.570 0.111 0.000 2.315 741 I HA -0.056 4.115 4.170 0.002 0.000 0.248 741 I C 0.423 176.593 176.117 0.088 0.000 1.117 741 I CA 0.726 62.074 61.300 0.080 0.000 1.404 741 I CB -1.090 36.938 38.000 0.046 0.000 1.071 741 I HN 0.225 nan 8.210 nan 0.000 0.419 742 N N 2.132 120.904 118.700 0.120 0.000 1.916 742 N HA -0.123 4.618 4.740 0.002 0.000 0.307 742 N C 0.063 175.614 175.510 0.069 0.000 1.322 742 N CA 0.509 53.614 53.050 0.092 0.000 0.808 742 N CB 0.383 38.992 38.487 0.203 0.000 1.056 742 N HN 0.151 nan 8.380 nan 0.000 0.499 743 S N 2.190 117.882 115.700 -0.014 0.000 2.776 743 S HA 0.482 4.953 4.470 0.002 0.000 0.306 743 S C -1.396 173.092 174.600 -0.186 0.000 1.114 743 S CA -1.166 56.998 58.200 -0.059 0.000 0.973 743 S CB 1.134 64.294 63.200 -0.067 0.000 1.250 743 S HN 0.401 nan 8.310 nan 0.000 0.549 744 P HA -0.032 nan 4.420 nan 0.000 0.226 744 P C -0.204 176.825 177.300 -0.451 0.000 1.146 744 P CA 0.614 63.217 63.100 -0.829 0.000 0.773 744 P CB -0.404 30.881 31.700 -0.693 0.000 0.772 745 N N 0.579 119.146 118.700 -0.222 0.000 2.235 745 N HA 0.001 4.742 4.740 0.002 0.000 0.231 745 N C 1.109 176.576 175.510 -0.070 0.000 1.330 745 N CA 0.926 53.901 53.050 -0.126 0.000 0.898 745 N CB 0.321 38.749 38.487 -0.099 0.000 1.151 745 N HN 0.174 nan 8.380 nan 0.000 0.472 746 D N -1.695 118.669 120.400 -0.061 0.000 2.769 746 D HA -0.031 4.611 4.640 0.002 0.000 0.155 746 D C 1.280 177.519 176.300 -0.101 0.000 1.479 746 D CA 0.144 54.112 54.000 -0.053 0.000 1.511 746 D CB -0.428 40.378 40.800 0.010 0.000 1.634 746 D HN 0.228 nan 8.370 nan 0.000 0.282 747 V N 1.038 120.908 119.914 -0.073 0.000 2.407 747 V HA -0.137 3.984 4.120 0.002 0.000 0.248 747 V C 2.371 178.405 176.094 -0.101 0.000 1.055 747 V CA 1.974 64.227 62.300 -0.077 0.000 1.049 747 V CB -0.602 31.192 31.823 -0.048 0.000 0.662 747 V HN 0.070 nan 8.190 nan 0.000 0.455 748 K N -0.265 120.080 120.400 -0.092 0.000 2.305 748 K HA 0.002 4.324 4.320 0.002 0.000 0.199 748 K C 2.062 178.596 176.600 -0.111 0.000 1.047 748 K CA 0.357 56.591 56.287 -0.088 0.000 0.976 748 K CB -0.132 32.329 32.500 -0.065 0.000 0.765 748 K HN 0.400 nan 8.250 nan 0.000 0.474 749 E N 0.425 120.541 120.200 -0.140 0.000 2.110 749 E HA -0.182 4.169 4.350 0.002 0.000 0.193 749 E C 1.897 178.341 176.600 -0.260 0.000 0.988 749 E CA 1.255 57.551 56.400 -0.174 0.000 0.804 749 E CB -0.334 29.254 29.700 -0.187 0.000 0.745 749 E HN 0.576 nan 8.360 nan 0.000 0.458 750 I N -2.154 118.212 120.570 -0.340 0.000 3.226 750 I HA 0.040 4.212 4.170 0.002 0.000 0.277 750 I C 1.768 177.770 176.117 -0.192 0.000 1.243 750 I CA 0.545 61.593 61.300 -0.420 0.000 1.459 750 I CB 0.115 37.783 38.000 -0.552 0.000 1.093 750 I HN -0.226 nan 8.210 nan 0.000 0.453 751 K N 1.424 121.742 120.400 -0.137 0.000 2.167 751 K HA -0.007 4.315 4.320 0.002 0.000 0.203 751 K C 2.133 178.695 176.600 -0.064 0.000 1.052 751 K CA 0.818 57.053 56.287 -0.087 0.000 0.956 751 K CB -0.103 32.351 32.500 -0.076 0.000 0.735 751 K HN 0.297 nan 8.250 nan 0.000 0.451 752 R N 1.196 121.657 120.500 -0.065 0.000 2.081 752 R HA -0.084 4.257 4.340 0.002 0.000 0.235 752 R C 2.073 178.371 176.300 -0.003 0.000 1.131 752 R CA 1.409 57.489 56.100 -0.033 0.000 0.960 752 R CB -0.120 30.161 30.300 -0.032 0.000 0.856 752 R HN 0.030 nan 8.270 nan 0.000 0.436 753 K N -0.238 120.160 120.400 -0.004 0.000 2.418 753 K HA 0.139 4.460 4.320 0.002 0.000 0.195 753 K C 1.480 178.146 176.600 0.109 0.000 1.035 753 K CA 0.367 56.709 56.287 0.092 0.000 1.003 753 K CB 0.197 32.765 32.500 0.114 0.000 0.793 753 K HN 0.120 nan 8.250 nan 0.000 0.494 754 I N 0.040 120.625 120.570 0.025 0.000 3.419 754 I HA -0.126 4.045 4.170 0.002 0.000 0.286 754 I C 1.550 177.622 176.117 -0.074 0.000 1.268 754 I CA 0.198 61.490 61.300 -0.014 0.000 1.414 754 I CB 0.359 38.327 38.000 -0.053 0.000 1.074 754 I HN -0.020 nan 8.210 nan 0.000 0.457 755 V N 0.991 120.873 119.914 -0.053 0.000 2.490 755 V HA -0.264 3.857 4.120 0.002 0.000 0.250 755 V C 1.429 177.465 176.094 -0.097 0.000 1.061 755 V CA 2.276 64.537 62.300 -0.065 0.000 1.064 755 V CB -0.384 31.418 31.823 -0.034 0.000 0.670 755 V HN 0.448 nan 8.190 nan 0.000 0.461 756 D N -1.208 119.121 120.400 -0.118 0.000 2.349 756 D HA 0.066 4.707 4.640 0.002 0.000 0.214 756 D C 1.921 178.010 176.300 -0.351 0.000 1.063 756 D CA 0.559 54.411 54.000 -0.247 0.000 0.847 756 D CB 0.845 41.489 40.800 -0.260 0.000 0.933 756 D HN 0.417 nan 8.370 nan 0.000 0.513 757 V N 0.799 120.554 119.914 -0.264 0.000 2.255 757 V HA -0.162 3.959 4.120 0.002 0.000 0.243 757 V C 2.547 178.552 176.094 -0.148 0.000 1.038 757 V CA 1.089 63.274 62.300 -0.191 0.000 1.008 757 V CB -0.256 31.491 31.823 -0.126 0.000 0.645 757 V HN 0.039 nan 8.190 nan 0.000 0.449 758 V N 0.269 120.033 119.914 -0.250 0.000 2.719 758 V HA -0.114 4.007 4.120 0.002 0.000 0.252 758 V C 2.376 178.445 176.094 -0.041 0.000 1.065 758 V CA 1.530 63.710 62.300 -0.200 0.000 1.086 758 V CB -0.607 31.052 31.823 -0.273 0.000 0.700 758 V HN 0.513 nan 8.190 nan 0.000 0.467 759 K N 1.472 121.824 120.400 -0.079 0.000 1.984 759 K HA -0.115 4.206 4.320 0.002 0.000 0.209 759 K C 2.164 178.733 176.600 -0.052 0.000 1.046 759 K CA 1.989 58.245 56.287 -0.053 0.000 0.934 759 K CB -0.804 31.640 32.500 -0.092 0.000 0.717 759 K HN 0.414 nan 8.250 nan 0.000 0.438 760 G N 0.457 109.177 108.800 -0.134 0.000 2.432 760 G HA2 -0.226 3.735 3.960 0.002 0.000 0.219 760 G HA3 -0.226 3.735 3.960 0.002 0.000 0.219 760 G C 1.614 176.502 174.900 -0.019 0.000 1.135 760 G CA 1.093 46.106 45.100 -0.144 0.000 0.767 760 G HN 0.477 nan 8.290 nan 0.000 0.550 761 S N -1.398 114.341 115.700 0.064 0.000 2.387 761 S HA -0.029 4.442 4.470 0.002 0.000 0.226 761 S C 1.926 176.662 174.600 0.227 0.000 1.026 761 S CA 1.043 59.353 58.200 0.185 0.000 0.972 761 S CB -0.204 63.231 63.200 0.392 0.000 0.814 761 S HN 0.464 nan 8.310 nan 0.000 0.477 762 Y N 1.345 121.674 120.300 0.049 0.000 2.444 762 Y HA 0.376 4.928 4.550 0.002 0.000 0.252 762 Y C 1.818 177.727 175.900 0.015 0.000 1.091 762 Y CA 0.686 58.811 58.100 0.041 0.000 1.276 762 Y CB 0.158 38.637 38.460 0.032 0.000 1.170 762 Y HN 0.495 nan 8.280 nan 0.000 0.517 763 E N -0.788 119.400 120.200 -0.021 0.000 2.400 763 E HA -0.005 4.346 4.350 0.002 0.000 0.195 763 E C 1.209 177.754 176.600 -0.093 0.000 1.012 763 E CA 0.122 56.471 56.400 -0.085 0.000 0.875 763 E CB 0.010 29.696 29.700 -0.023 0.000 0.859 763 E HN 0.018 nan 8.360 nan 0.000 0.498 764 K N 0.806 121.170 120.400 -0.060 0.000 2.574 764 K HA -0.061 4.260 4.320 0.002 0.000 0.193 764 K C 1.772 178.329 176.600 -0.071 0.000 1.035 764 K CA 0.180 56.443 56.287 -0.040 0.000 0.982 764 K CB -0.138 32.374 32.500 0.020 0.000 0.795 764 K HN 0.232 nan 8.250 nan 0.000 0.491 765 L N 0.417 121.580 121.223 -0.099 0.000 1.990 765 L HA -0.206 4.135 4.340 0.002 0.000 0.213 765 L C 0.717 177.537 176.870 -0.083 0.000 1.072 765 L CA 1.927 56.707 54.840 -0.099 0.000 0.755 765 L CB 0.024 42.009 42.059 -0.124 0.000 0.889 765 L HN 0.037 nan 8.230 nan 0.000 0.432 838 D N 2.817 123.224 120.400 0.012 0.000 2.787 838 D HA 0.733 5.375 4.640 0.002 0.000 0.215 838 D C -0.206 176.089 176.300 -0.008 0.000 1.246 838 D CA -0.019 53.997 54.000 0.026 0.000 0.798 838 D CB 2.580 43.397 40.800 0.028 0.000 1.649 838 D HN 0.677 nan 8.370 nan 0.000 0.507 839 A N 2.288 125.119 122.820 0.019 0.000 1.807 839 A HA 0.303 4.625 4.320 0.002 0.000 0.178 839 A C 1.029 178.621 177.584 0.013 0.000 2.008 839 A CA 0.722 52.760 52.037 0.002 0.000 1.178 839 A CB 0.244 19.250 19.000 0.009 0.000 0.966 839 A HN 0.521 nan 8.150 nan 0.000 0.653 840 E N -1.385 118.843 120.200 0.047 0.000 2.608 840 E HA 0.174 4.526 4.350 0.002 0.000 0.204 840 E C 0.758 177.410 176.600 0.086 0.000 0.884 840 E CA 0.135 56.570 56.400 0.058 0.000 1.533 840 E CB 0.118 29.838 29.700 0.032 0.000 1.559 840 E HN 0.183 nan 8.360 nan 0.000 0.864 841 K N 0.399 120.846 120.400 0.078 0.000 2.504 841 K HA -0.008 4.313 4.320 0.002 0.000 0.195 841 K C 1.299 177.952 176.600 0.088 0.000 1.036 841 K CA 0.662 56.987 56.287 0.064 0.000 0.984 841 K CB -0.455 32.069 32.500 0.039 0.000 0.788 841 K HN 0.267 nan 8.250 nan 0.000 0.488 842 Y N 0.727 121.026 120.300 -0.001 0.000 2.298 842 Y HA -0.215 4.336 4.550 0.002 0.000 0.287 842 Y C 1.008 176.911 175.900 0.004 0.000 1.164 842 Y CA 1.453 59.554 58.100 0.001 0.000 1.229 842 Y CB -0.085 38.374 38.460 -0.002 0.000 0.977 842 Y HN -0.001 nan 8.280 nan 0.000 0.538 843 L N -0.073 121.175 121.223 0.042 0.000 2.478 843 L HA -0.057 4.284 4.340 0.002 0.000 0.223 843 L C 1.805 178.627 176.870 -0.079 0.000 1.140 843 L CA 0.809 55.628 54.840 -0.035 0.000 0.842 843 L CB -0.310 41.797 42.059 0.080 0.000 0.953 843 L HN 0.180 nan 8.230 nan 0.000 0.452 844 E N 0.421 120.576 120.200 -0.074 0.000 2.285 844 E HA -0.059 4.293 4.350 0.002 0.000 0.194 844 E C 2.278 178.829 176.600 -0.082 0.000 0.997 844 E CA 0.838 57.198 56.400 -0.068 0.000 0.845 844 E CB -0.009 29.661 29.700 -0.049 0.000 0.782 844 E HN 0.447 nan 8.360 nan 0.000 0.491 845 A N 0.688 123.419 122.820 -0.148 0.000 2.067 845 A HA -0.040 4.282 4.320 0.002 0.000 0.217 845 A C 1.993 179.481 177.584 -0.160 0.000 1.156 845 A CA 0.603 52.545 52.037 -0.159 0.000 0.683 845 A CB -0.287 18.584 19.000 -0.215 0.000 0.808 845 A HN 0.144 nan 8.150 nan 0.000 0.455 846 L N -1.393 119.699 121.223 -0.217 0.000 2.156 846 L HA -0.039 4.303 4.340 0.002 0.000 0.208 846 L C 2.629 179.513 176.870 0.024 0.000 1.095 846 L CA 1.381 56.151 54.840 -0.116 0.000 0.770 846 L CB -0.431 41.532 42.059 -0.160 0.000 0.914 846 L HN 0.392 nan 8.230 nan 0.000 0.439 847 R N -0.254 120.261 120.500 0.026 0.000 2.189 847 R HA -0.034 4.308 4.340 0.002 0.000 0.218 847 R C 2.153 178.541 176.300 0.148 0.000 1.074 847 R CA 0.760 56.934 56.100 0.122 0.000 0.991 847 R CB 0.097 30.422 30.300 0.043 0.000 0.883 847 R HN 0.075 nan 8.270 nan 0.000 0.457 848 S N -0.884 114.863 115.700 0.079 0.000 2.527 848 S HA 0.009 4.481 4.470 0.002 0.000 0.222 848 S C 0.530 175.188 174.600 0.096 0.000 0.985 848 S CA 0.823 59.061 58.200 0.064 0.000 0.921 848 S CB 0.586 63.797 63.200 0.018 0.000 0.772 848 S HN 0.340 nan 8.310 nan 0.000 0.529 849 T N 0.656 115.303 114.554 0.155 0.000 3.287 849 T HA 0.316 4.668 4.350 0.002 0.000 0.253 849 T C 0.003 174.924 174.700 0.367 0.000 0.975 849 T CA -0.118 62.102 62.100 0.200 0.000 0.912 849 T CB -0.294 68.690 68.868 0.193 0.000 1.071 849 T HN 0.387 nan 8.240 nan 0.000 0.578 850 F N -0.384 119.648 119.950 0.136 0.000 3.266 850 F HA 0.293 4.821 4.527 0.002 0.000 0.360 850 F C 1.041 176.912 175.800 0.118 0.000 1.242 850 F CA -0.339 57.763 58.000 0.170 0.000 0.887 850 F CB 0.424 39.594 39.000 0.282 0.000 1.656 850 F HN 0.009 nan 8.300 nan 0.000 0.491 851 E N 0.184 120.420 120.200 0.059 0.000 2.046 851 E HA -0.184 4.167 4.350 0.002 0.000 0.190 851 E C 1.551 178.091 176.600 -0.100 0.000 0.982 851 E CA 1.666 58.070 56.400 0.006 0.000 0.800 851 E CB 0.155 29.862 29.700 0.013 0.000 0.756 851 E HN 0.380 nan 8.360 nan 0.000 0.449 852 Q N -0.193 119.535 119.800 -0.120 0.000 2.269 852 Q HA 0.007 4.348 4.340 0.002 0.000 0.201 852 Q C 1.824 177.679 176.000 -0.241 0.000 0.946 852 Q CA 0.343 56.063 55.803 -0.138 0.000 0.877 852 Q CB 0.076 28.760 28.738 -0.090 0.000 0.963 852 Q HN 0.260 nan 8.270 nan 0.000 0.472 853 I N -0.302 120.058 120.570 -0.351 0.000 2.315 853 I HA -0.167 4.004 4.170 0.002 0.000 0.248 853 I C 1.611 177.447 176.117 -0.469 0.000 1.117 853 I CA 1.106 62.121 61.300 -0.476 0.000 1.404 853 I CB -0.083 37.620 38.000 -0.496 0.000 1.071 853 I HN 0.249 nan 8.210 nan 0.000 0.419 854 L N 0.046 121.017 121.223 -0.421 0.000 2.395 854 L HA 0.012 4.353 4.340 0.002 0.000 0.218 854 L C 2.365 179.205 176.870 -0.050 0.000 1.130 854 L CA 0.733 55.513 54.840 -0.101 0.000 0.826 854 L CB -0.523 41.559 42.059 0.038 0.000 0.941 854 L HN 0.081 nan 8.230 nan 0.000 0.451 855 R N -0.186 120.236 120.500 -0.130 0.000 2.148 855 R HA -0.022 4.320 4.340 0.002 0.000 0.227 855 R C 2.146 178.362 176.300 -0.139 0.000 1.103 855 R CA 1.111 57.158 56.100 -0.087 0.000 0.983 855 R CB -0.696 29.555 30.300 -0.083 0.000 0.874 855 R HN 0.473 nan 8.270 nan 0.000 0.451 856 A N 0.807 123.439 122.820 -0.313 0.000 1.873 856 A HA -0.107 4.214 4.320 0.002 0.000 0.215 856 A C 1.819 179.189 177.584 -0.357 0.000 1.186 856 A CA 1.141 52.923 52.037 -0.426 0.000 0.616 856 A CB -0.436 18.107 19.000 -0.763 0.000 0.823 856 A HN 0.126 nan 8.150 nan 0.000 0.442 857 F N -0.144 119.766 119.950 -0.067 0.000 2.059 857 F HA 0.302 4.830 4.527 0.002 0.000 0.289 857 F C 2.080 177.868 175.800 -0.021 0.000 1.128 857 F CA 0.528 58.498 58.000 -0.052 0.000 1.181 857 F CB -1.267 37.705 39.000 -0.048 0.000 1.012 857 F HN 0.292 nan 8.300 nan 0.000 0.473 858 G N -0.576 108.348 108.800 0.207 0.000 2.940 858 G HA2 0.527 4.488 3.960 0.002 0.000 0.164 858 G HA3 0.527 4.488 3.960 0.002 0.000 0.164 858 G C -0.984 173.981 174.900 0.108 0.000 1.326 858 G CA -0.118 45.064 45.100 0.137 0.000 1.020 858 G HN 0.118 nan 8.290 nan 0.000 0.586 859 V N -1.510 118.484 119.914 0.133 0.000 3.105 859 V HA 0.704 4.825 4.120 0.002 0.000 0.311 859 V C 0.237 176.449 176.094 0.198 0.000 1.282 859 V CA -0.567 61.806 62.300 0.122 0.000 1.065 859 V CB 1.948 33.824 31.823 0.089 0.000 1.136 859 V HN 0.781 nan 8.190 nan 0.000 0.469 860 S N 1.892 117.674 115.700 0.137 0.000 2.601 860 S HA 0.514 4.985 4.470 0.002 0.000 0.271 860 S C -0.916 173.801 174.600 0.195 0.000 1.305 860 S CA -0.379 57.883 58.200 0.103 0.000 1.022 860 S CB 0.329 63.522 63.200 -0.012 0.000 0.940 860 S HN 0.675 nan 8.310 nan 0.000 0.525 861 W N 2.747 124.068 121.300 0.034 0.000 3.039 861 W HA 0.644 5.306 4.660 0.002 0.000 0.354 861 W C -1.357 175.175 176.519 0.021 0.000 1.206 861 W CA -0.923 56.436 57.345 0.024 0.000 1.134 861 W CB 0.203 29.679 29.460 0.026 0.000 1.493 861 W HN 0.648 nan 8.180 nan 0.000 0.591 862 D N -0.811 119.778 120.400 0.315 0.000 2.596 862 D HA 0.390 5.031 4.640 0.002 0.000 0.234 862 D C -1.346 175.157 176.300 0.337 0.000 1.181 862 D CA -0.530 53.553 54.000 0.139 0.000 0.856 862 D CB 2.726 43.555 40.800 0.049 0.000 1.498 862 D HN 0.478 nan 8.370 nan 0.000 0.446 863 E N 1.275 121.610 120.200 0.225 0.000 3.074 863 E HA 0.291 4.643 4.350 0.002 0.000 0.287 863 E C -0.766 175.926 176.600 0.153 0.000 1.194 863 E CA -0.278 56.248 56.400 0.210 0.000 0.836 863 E CB 1.464 31.357 29.700 0.321 0.000 1.468 863 E HN 0.447 nan 8.360 nan 0.000 0.383 864 I N 0.000 120.633 120.570 0.105 0.000 2.984 864 I HA 0.000 4.171 4.170 0.002 0.000 0.288 864 I CA 0.000 61.356 61.300 0.094 0.000 1.566 864 I CB 0.000 38.035 38.000 0.058 0.000 1.214 864 I HN 0.000 nan 8.210 nan 0.000 0.494