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 2zuu_1_D DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NXXXXXXXXX VLALGKKIYN DATA SEQUENCE AYFPTRAHNE WITLHMDETP QVYLLTDRIL AESDTVDIPL MESFFAEQLK DATA SEQUENCE PNRDADPHKY WEVVDRTTGE VVDSANWTLD ADEDTVHVSG VAAWHEYTVS DATA SEQUENCE FLAYIIWDPV EMYNHLTNDW GDKEHEIPFD IYHPATRKFV FDTFEQWLKD DATA SEQUENCE SPQTDVVRFT TFFYQFTLLF DEKRREKVVD WFGCACTVSP RALDDFEAKY DATA SEQUENCE GYRLRPEDFV DGGAYNSAWR VPRKAQRDWI DFLSGFVREN VKQLADMSHA DATA SEQUENCE AGKEAMMFLG DQWIGTEPYK DGFDELGLDA VVGSIGDGTT TRMIADIPGV DATA SEQUENCE KYTEGRFLPY FFPDTFYEGN DPSIEGLDNW RKARRAILRS PISRMGYGGY DATA SEQUENCE LSLAAKFPKF VDTVTHIANE FRDIHDRTGG VAAEGELNVA ILNSWGKMRS DATA SEQUENCE WMAFTVAHAL PNKQTYSYYG ILESLSGMRV NVRFISFDDV LAHGIDSDID DATA SEQUENCE VIINGGPVDT AFTGGDVWTN PKLVETVRAW VRGGGAFVGV GEPSSAPRFQ DATA SEQUENCE TGRFFQLADV IGVDEERYQT LSVDKYFPPV VPDHFITADV PVDPAAREAW DATA SEQUENCE EQAGYRIPLS GCGGGQSIKP LGGIDFGEPV LNTYPVNENV TLLRADGGQV DATA SEQUENCE QLATNDYGKG RGVYISGLPY SAANARLLER VLFYASHNED KYAAWSSSNP DATA SEQUENCE ECEVAHFPEQ GLYCVINNTD QPQKTTVTLA DGTTEDFDLP DSGIAWRE 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.587 174.600 -0.022 0.000 1.055 3 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 3 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 4 T N 0.499 115.045 114.554 -0.013 0.000 2.864 4 T HA 0.877 5.222 4.350 -0.009 0.000 0.299 4 T C 0.291 174.993 174.700 0.003 0.000 1.166 4 T CA 1.069 63.165 62.100 -0.008 0.000 1.007 4 T CB 0.878 69.741 68.868 -0.009 0.000 1.219 4 T HN 2.620 nan 8.240 nan 0.000 0.506 5 G N 1.954 110.765 108.800 0.017 0.000 2.582 5 G HA2 -0.034 3.921 3.960 -0.009 0.000 0.222 5 G HA3 -0.034 3.921 3.960 -0.009 0.000 0.222 5 G C -0.232 174.695 174.900 0.045 0.000 1.311 5 G CA 0.116 45.230 45.100 0.024 0.000 0.915 5 G HN 1.101 nan 8.290 nan 0.000 0.528 6 R N -2.166 118.345 120.500 0.018 0.000 3.847 6 R HA -0.230 4.105 4.340 -0.009 0.000 0.304 6 R C 0.001 176.299 176.300 -0.003 0.000 1.203 6 R CA 1.656 57.763 56.100 0.012 0.000 0.835 6 R CB -1.810 28.517 30.300 0.045 0.000 1.253 6 R HN 1.221 nan 8.270 nan 0.000 0.516 7 F N -0.600 119.270 119.950 -0.132 0.000 2.569 7 F HA 0.360 4.882 4.527 -0.009 0.000 0.312 7 F C -0.399 175.343 175.800 -0.097 0.000 1.109 7 F CA -0.516 57.388 58.000 -0.160 0.000 0.919 7 F CB 2.165 41.087 39.000 -0.130 0.000 1.211 7 F HN -0.196 nan 8.300 nan 0.000 0.446 8 T N 6.720 120.910 114.554 -0.606 0.000 2.770 8 T HA 0.417 4.762 4.350 -0.009 0.000 0.283 8 T C -0.784 173.697 174.700 -0.366 0.000 0.988 8 T CA -0.469 61.373 62.100 -0.429 0.000 0.957 8 T CB 0.959 69.563 68.868 -0.441 0.000 0.930 8 T HN 0.451 nan 8.240 nan 0.000 0.443 9 L N 6.756 127.981 121.223 0.002 0.000 2.275 9 L HA 0.429 4.764 4.340 -0.009 0.000 0.288 9 L C -1.995 174.916 176.870 0.068 0.000 1.046 9 L CA -2.342 52.638 54.840 0.233 0.000 0.805 9 L CB 1.798 44.036 42.059 0.297 0.000 1.193 9 L HN 0.343 nan 8.230 nan 0.000 0.426 10 P HA 0.194 nan 4.420 nan 0.000 0.274 10 P C -1.078 176.292 177.300 0.117 0.000 1.231 10 P CA -0.242 62.888 63.100 0.049 0.000 0.790 10 P CB 1.581 33.270 31.700 -0.019 0.000 0.951 11 S N 0.285 116.037 115.700 0.088 0.000 2.900 11 S HA 0.842 5.307 4.470 -0.009 0.000 0.320 11 S C -0.622 174.043 174.600 0.109 0.000 1.130 11 S CA -0.716 57.557 58.200 0.122 0.000 0.863 11 S CB 1.688 64.947 63.200 0.098 0.000 1.295 11 S HN 0.678 nan 8.310 nan 0.000 0.596 12 E N -1.179 119.101 120.200 0.133 0.000 2.381 12 E HA 0.315 4.659 4.350 -0.009 0.000 0.281 12 E C -1.822 174.860 176.600 0.137 0.000 1.151 12 E CA -0.964 55.504 56.400 0.115 0.000 0.904 12 E CB 0.306 30.059 29.700 0.089 0.000 1.234 12 E HN 0.348 nan 8.360 nan 0.000 0.427 13 E N 1.186 121.450 120.200 0.107 0.000 2.392 13 E HA 0.121 4.465 4.350 -0.009 0.000 0.259 13 E C -0.013 176.662 176.600 0.126 0.000 1.108 13 E CA 0.054 56.514 56.400 0.100 0.000 0.916 13 E CB 0.169 29.912 29.700 0.071 0.000 0.989 13 E HN 0.654 nan 8.360 nan 0.000 0.432 14 N N 0.772 119.540 118.700 0.113 0.000 2.714 14 N HA -0.266 4.468 4.740 -0.009 0.000 0.250 14 N C -0.219 175.423 175.510 0.218 0.000 1.117 14 N CA 0.728 53.850 53.050 0.121 0.000 0.719 14 N CB -1.277 37.264 38.487 0.091 0.000 1.081 14 N HN 0.386 nan 8.380 nan 0.000 0.557 15 F N -0.580 119.373 119.950 0.006 0.000 2.739 15 F HA 0.552 5.074 4.527 -0.009 0.000 0.366 15 F C 1.394 177.187 175.800 -0.012 0.000 1.279 15 F CA 0.023 58.022 58.000 -0.001 0.000 1.151 15 F CB 0.034 39.041 39.000 0.011 0.000 1.132 15 F HN 0.067 nan 8.300 nan 0.000 0.511 16 A N -0.115 122.674 122.820 -0.052 0.000 1.883 16 A HA -0.141 4.173 4.320 -0.009 0.000 0.217 16 A C 2.208 179.683 177.584 -0.183 0.000 1.186 16 A CA 1.958 53.943 52.037 -0.087 0.000 0.624 16 A CB -0.308 18.666 19.000 -0.042 0.000 0.822 16 A HN 0.390 nan 8.150 nan 0.000 0.444 17 E N -0.375 119.684 120.200 -0.235 0.000 2.107 17 E HA -0.116 4.229 4.350 -0.009 0.000 0.191 17 E C 1.897 178.294 176.600 -0.338 0.000 0.982 17 E CA 0.741 56.999 56.400 -0.236 0.000 0.809 17 E CB -0.192 29.396 29.700 -0.187 0.000 0.756 17 E HN 0.412 nan 8.360 nan 0.000 0.459 18 K N 0.375 120.415 120.400 -0.601 0.000 2.217 18 K HA -0.025 4.290 4.320 -0.009 0.000 0.202 18 K C 2.076 178.375 176.600 -0.502 0.000 1.051 18 K CA 0.765 56.631 56.287 -0.702 0.000 0.952 18 K CB -0.162 31.552 32.500 -1.309 0.000 0.736 18 K HN 0.093 nan 8.250 nan 0.000 0.453 19 T N 1.269 115.574 114.554 -0.416 0.000 2.708 19 T HA -0.131 4.213 4.350 -0.009 0.000 0.266 19 T C 1.839 176.446 174.700 -0.156 0.000 1.037 19 T CA 1.340 63.344 62.100 -0.161 0.000 1.146 19 T CB -0.032 68.809 68.868 -0.044 0.000 0.865 19 T HN 0.262 nan 8.240 nan 0.000 0.435 20 K N 0.791 121.095 120.400 -0.160 0.000 2.020 20 K HA -0.172 4.143 4.320 -0.009 0.000 0.212 20 K C 2.482 178.987 176.600 -0.159 0.000 1.050 20 K CA 1.633 57.840 56.287 -0.132 0.000 0.929 20 K CB -0.176 32.253 32.500 -0.119 0.000 0.714 20 K HN 0.397 nan 8.250 nan 0.000 0.443 21 E N 0.612 120.692 120.200 -0.201 0.000 2.058 21 E HA -0.180 4.165 4.350 -0.009 0.000 0.194 21 E C 1.799 178.235 176.600 -0.273 0.000 0.997 21 E CA 1.209 57.483 56.400 -0.210 0.000 0.801 21 E CB 0.049 29.615 29.700 -0.223 0.000 0.746 21 E HN 0.200 nan 8.360 nan 0.000 0.450 22 L N -0.475 120.529 121.223 -0.365 0.000 2.418 22 L HA 0.070 4.405 4.340 -0.009 0.000 0.218 22 L C 2.192 178.754 176.870 -0.515 0.000 1.125 22 L CA 0.419 54.874 54.840 -0.642 0.000 0.835 22 L CB -0.016 41.575 42.059 -0.779 0.000 0.953 22 L HN 0.152 nan 8.230 nan 0.000 0.454 23 A N 0.184 122.861 122.820 -0.239 0.000 1.898 23 A HA -0.126 4.189 4.320 -0.009 0.000 0.214 23 A C 2.152 179.692 177.584 -0.073 0.000 1.183 23 A CA 1.072 53.054 52.037 -0.091 0.000 0.622 23 A CB -0.181 18.794 19.000 -0.042 0.000 0.824 23 A HN 0.359 nan 8.150 nan 0.000 0.444 24 E N -0.658 119.483 120.200 -0.097 0.000 2.152 24 E HA -0.099 4.246 4.350 -0.009 0.000 0.192 24 E C 1.813 178.375 176.600 -0.063 0.000 0.983 24 E CA 0.791 57.150 56.400 -0.069 0.000 0.818 24 E CB -0.137 29.522 29.700 -0.069 0.000 0.758 24 E HN 0.425 nan 8.360 nan 0.000 0.467 25 L N -0.308 120.852 121.223 -0.105 0.000 2.093 25 L HA -0.121 4.214 4.340 -0.009 0.000 0.208 25 L C 1.190 178.139 176.870 0.132 0.000 1.085 25 L CA 1.459 56.274 54.840 -0.041 0.000 0.755 25 L CB -0.108 41.858 42.059 -0.154 0.000 0.904 25 L HN 0.256 nan 8.230 nan 0.000 0.435 26 W N -0.396 120.750 121.300 -0.256 0.000 3.278 26 W HA 0.446 5.101 4.660 -0.009 0.000 0.308 26 W C 1.610 177.842 176.519 -0.478 0.000 1.253 26 W CA 0.037 57.090 57.345 -0.487 0.000 1.759 26 W CB -0.966 28.050 29.460 -0.740 0.000 1.093 26 W HN 0.298 nan 8.180 nan 0.000 0.648 27 G N 1.149 109.918 108.800 -0.052 0.000 2.249 27 G HA2 -0.107 3.848 3.960 -0.009 0.000 0.273 27 G HA3 -0.107 3.848 3.960 -0.009 0.000 0.273 27 G C 0.539 175.448 174.900 0.015 0.000 1.036 27 G CA 0.044 45.121 45.100 -0.038 0.000 0.824 27 G HN 0.471 nan 8.290 nan 0.000 0.504 28 A N 0.510 123.370 122.820 0.066 0.000 2.491 28 A HA 0.498 4.813 4.320 -0.009 0.000 0.261 28 A C 1.236 178.890 177.584 0.117 0.000 1.101 28 A CA 0.748 52.926 52.037 0.235 0.000 0.772 28 A CB 0.300 19.501 19.000 0.335 0.000 1.043 28 A HN 0.769 nan 8.150 nan 0.000 0.501 29 D N 1.057 121.517 120.400 0.100 0.000 2.395 29 D HA 0.420 5.055 4.640 -0.009 0.000 0.213 29 D C 0.073 176.380 176.300 0.011 0.000 1.110 29 D CA 0.677 54.701 54.000 0.040 0.000 0.835 29 D CB 0.202 41.017 40.800 0.025 0.000 0.965 29 D HN 0.588 nan 8.370 nan 0.000 0.505 30 A N 0.236 123.045 122.820 -0.020 0.000 2.520 30 A HA 0.689 5.003 4.320 -0.009 0.000 0.298 30 A C -1.326 176.146 177.584 -0.188 0.000 1.051 30 A CA -0.774 51.170 52.037 -0.156 0.000 0.690 30 A CB 1.398 20.188 19.000 -0.351 0.000 1.281 30 A HN 0.150 nan 8.150 nan 0.000 0.402 31 I N 1.286 121.736 120.570 -0.201 0.000 2.533 31 I HA 0.602 4.767 4.170 -0.009 0.000 0.290 31 I C -0.140 175.897 176.117 -0.134 0.000 1.056 31 I CA -0.549 60.681 61.300 -0.117 0.000 1.057 31 I CB 2.283 40.274 38.000 -0.014 0.000 1.240 31 I HN 0.842 nan 8.210 nan 0.000 0.423 32 R N 4.815 125.257 120.500 -0.098 0.000 2.686 32 R HA 0.503 4.838 4.340 -0.009 0.000 0.286 32 R C -0.937 175.392 176.300 0.048 0.000 0.969 32 R CA -0.502 55.606 56.100 0.013 0.000 0.898 32 R CB 1.351 31.659 30.300 0.013 0.000 1.183 32 R HN 0.599 nan 8.270 nan 0.000 0.456 44 L N 1.442 122.665 121.223 0.000 0.000 2.418 44 L HA 0.440 4.775 4.340 -0.009 0.000 0.218 44 L C 1.790 178.659 176.870 -0.002 0.000 1.125 44 L CA 1.945 56.786 54.840 0.003 0.000 0.835 44 L CB -0.589 41.471 42.059 0.002 0.000 0.953 44 L HN 0.372 nan 8.230 nan 0.000 0.454 45 A N -0.618 122.198 122.820 -0.007 0.000 2.577 45 A HA 0.402 4.717 4.320 -0.009 0.000 0.280 45 A C 1.540 179.117 177.584 -0.011 0.000 1.331 45 A CA -0.174 51.858 52.037 -0.009 0.000 0.935 45 A CB -0.573 18.420 19.000 -0.012 0.000 1.082 45 A HN 0.332 nan 8.150 nan 0.000 0.525 46 L N -0.852 120.365 121.223 -0.009 0.000 2.599 46 L HA 0.140 4.475 4.340 -0.009 0.000 0.230 46 L C 1.695 178.562 176.870 -0.006 0.000 1.141 46 L CA 0.694 55.528 54.840 -0.011 0.000 0.877 46 L CB -0.128 41.923 42.059 -0.013 0.000 1.009 46 L HN 0.611 nan 8.230 nan 0.000 0.447 47 G N 0.370 109.169 108.800 -0.002 0.000 2.198 47 G HA2 -0.246 3.709 3.960 -0.009 0.000 0.260 47 G HA3 -0.246 3.709 3.960 -0.009 0.000 0.260 47 G C 0.243 175.149 174.900 0.008 0.000 1.025 47 G CA 0.086 45.187 45.100 0.002 0.000 0.769 47 G HN 0.189 nan 8.290 nan 0.000 0.507 48 K N 0.004 120.412 120.400 0.012 0.000 2.087 48 K HA 0.415 4.730 4.320 -0.009 0.000 0.255 48 K C 0.739 177.360 176.600 0.036 0.000 0.988 48 K CA -0.623 55.675 56.287 0.018 0.000 0.915 48 K CB 0.899 33.406 32.500 0.012 0.000 1.043 48 K HN 0.269 nan 8.250 nan 0.000 0.457 49 K N 1.472 121.903 120.400 0.052 0.000 2.368 49 K HA 0.202 4.517 4.320 -0.009 0.000 0.282 49 K C -0.033 176.642 176.600 0.125 0.000 1.035 49 K CA -0.111 56.242 56.287 0.109 0.000 0.973 49 K CB 0.418 33.015 32.500 0.161 0.000 0.957 49 K HN 0.294 nan 8.250 nan 0.000 0.474 50 I N 4.138 124.812 120.570 0.174 0.000 2.378 50 I HA 0.195 4.360 4.170 -0.009 0.000 0.291 50 I C -0.559 175.773 176.117 0.358 0.000 0.992 50 I CA -0.788 60.623 61.300 0.185 0.000 1.154 50 I CB 0.782 38.843 38.000 0.103 0.000 1.315 50 I HN 0.423 nan 8.210 nan 0.000 0.448 51 Y N 4.556 124.888 120.300 0.053 0.000 2.330 51 Y HA 0.405 4.950 4.550 -0.009 0.000 0.336 51 Y C 0.526 176.457 175.900 0.051 0.000 1.036 51 Y CA -1.170 56.961 58.100 0.051 0.000 1.125 51 Y CB 1.036 39.517 38.460 0.034 0.000 1.194 51 Y HN 0.439 nan 8.280 nan 0.000 0.469 52 N N 1.706 120.519 118.700 0.188 0.000 2.314 52 N HA 0.545 5.280 4.740 -0.009 0.000 0.294 52 N C -0.794 174.694 175.510 -0.036 0.000 1.029 52 N CA -0.573 52.568 53.050 0.151 0.000 0.845 52 N CB 2.315 41.014 38.487 0.354 0.000 1.321 52 N HN 0.703 nan 8.380 nan 0.000 0.481 53 A N 2.260 124.988 122.820 -0.153 0.000 2.462 53 A HA 0.188 4.503 4.320 -0.009 0.000 0.243 53 A C -1.004 176.138 177.584 -0.738 0.000 1.076 53 A CA 0.468 52.237 52.037 -0.447 0.000 0.773 53 A CB 0.009 18.718 19.000 -0.484 0.000 1.010 53 A HN 0.692 nan 8.150 nan 0.000 0.493 54 Y N 0.929 120.602 120.300 -1.045 0.000 2.442 54 Y HA 0.584 5.129 4.550 -0.009 0.000 0.344 54 Y C -1.393 174.011 175.900 -0.828 0.000 0.976 54 Y CA -1.000 56.440 58.100 -1.100 0.000 1.040 54 Y CB 1.799 39.569 38.460 -1.150 0.000 1.228 54 Y HN 0.537 nan 8.280 nan 0.000 0.451 55 F N 7.261 126.813 119.950 -0.664 0.000 2.453 55 F HA 0.408 4.929 4.527 -0.009 0.000 0.358 55 F C -1.971 173.643 175.800 -0.310 0.000 1.129 55 F CA -3.035 54.739 58.000 -0.376 0.000 1.200 55 F CB 0.771 39.590 39.000 -0.301 0.000 1.431 55 F HN 0.391 nan 8.300 nan 0.000 0.503 56 P HA -0.168 nan 4.420 nan 0.000 0.216 56 P C 1.337 178.730 177.300 0.155 0.000 1.154 56 P CA 1.894 65.086 63.100 0.155 0.000 0.865 56 P CB 0.082 31.857 31.700 0.124 0.000 0.789 57 T N -4.008 110.500 114.554 -0.077 0.000 3.214 57 T HA 0.346 4.691 4.350 -0.009 0.000 0.264 57 T C 0.453 174.520 174.700 -1.055 0.000 1.012 57 T CA -0.580 61.209 62.100 -0.520 0.000 0.901 57 T CB -0.337 68.381 68.868 -0.250 0.000 1.070 57 T HN 0.242 nan 8.240 nan 0.000 0.561 58 R N -1.227 118.941 120.500 -0.553 0.000 3.006 58 R HA 0.729 5.064 4.340 -0.009 0.000 0.261 58 R C -0.314 176.065 176.300 0.131 0.000 1.113 58 R CA -0.662 55.259 56.100 -0.297 0.000 0.973 58 R CB -0.057 30.137 30.300 -0.176 0.000 1.341 58 R HN 0.404 nan 8.270 nan 0.000 0.437 59 A N -0.152 122.733 122.820 0.109 0.000 2.905 59 A HA -0.141 4.174 4.320 -0.009 0.000 0.260 59 A C -0.580 176.880 177.584 -0.206 0.000 1.398 59 A CA 1.278 53.306 52.037 -0.015 0.000 0.840 59 A CB -2.451 16.506 19.000 -0.070 0.000 1.059 59 A HN 0.698 nan 8.150 nan 0.000 0.647 60 H N -1.020 118.307 119.070 0.427 0.000 2.806 60 H HA 0.166 4.716 4.556 -0.009 0.000 0.218 60 H C 0.794 176.324 175.328 0.336 0.000 1.392 60 H CA -0.236 56.062 56.048 0.418 0.000 1.358 60 H CB 0.002 30.094 29.762 0.551 0.000 1.944 60 H HN 0.402 nan 8.280 nan 0.000 0.530 61 N N 1.038 119.908 118.700 0.284 0.000 2.205 61 N HA -0.158 4.576 4.740 -0.009 0.000 0.186 61 N C 2.084 177.661 175.510 0.113 0.000 1.015 61 N CA 1.011 54.167 53.050 0.177 0.000 0.862 61 N CB 0.277 38.818 38.487 0.089 0.000 0.986 61 N HN 0.633 nan 8.380 nan 0.000 0.429 62 E N 0.135 120.421 120.200 0.143 0.000 2.204 62 E HA -0.209 4.136 4.350 -0.009 0.000 0.195 62 E C 1.740 178.369 176.600 0.050 0.000 0.990 62 E CA 0.720 57.176 56.400 0.094 0.000 0.821 62 E CB -0.713 29.073 29.700 0.142 0.000 0.750 62 E HN 0.628 nan 8.360 nan 0.000 0.477 63 W N 1.107 122.299 121.300 -0.179 0.000 2.519 63 W HA -0.038 4.617 4.660 -0.009 0.000 0.313 63 W C 1.982 178.358 176.519 -0.238 0.000 1.156 63 W CA 0.687 57.764 57.345 -0.446 0.000 1.394 63 W CB -0.385 28.292 29.460 -1.305 0.000 1.154 63 W HN 0.078 nan 8.180 nan 0.000 0.498 64 I N 2.586 122.983 120.570 -0.290 0.000 2.315 64 I HA -0.255 3.910 4.170 -0.009 0.000 0.248 64 I C 2.628 178.598 176.117 -0.245 0.000 1.117 64 I CA 2.590 63.737 61.300 -0.254 0.000 1.404 64 I CB -0.802 37.340 38.000 0.237 0.000 1.071 64 I HN 0.098 nan 8.210 nan 0.000 0.419 65 T N -1.514 112.932 114.554 -0.180 0.000 2.897 65 T HA -0.164 4.180 4.350 -0.009 0.000 0.271 65 T C 1.665 176.183 174.700 -0.303 0.000 1.084 65 T CA 1.428 63.413 62.100 -0.193 0.000 1.123 65 T CB -0.772 68.017 68.868 -0.132 0.000 0.865 65 T HN 0.420 nan 8.240 nan 0.000 0.496 66 L N 0.017 120.965 121.223 -0.457 0.000 2.592 66 L HA 0.266 4.601 4.340 -0.009 0.000 0.227 66 L C 0.877 177.107 176.870 -1.067 0.000 1.127 66 L CA 0.256 54.685 54.840 -0.684 0.000 0.884 66 L CB -0.112 41.506 42.059 -0.735 0.000 1.065 66 L HN 0.411 nan 8.230 nan 0.000 0.457 67 H N -0.941 117.806 119.070 -0.538 0.000 3.038 67 H HA 0.198 4.748 4.556 -0.009 0.000 0.223 67 H C 0.991 176.115 175.328 -0.340 0.000 1.400 67 H CA -0.281 55.481 56.048 -0.476 0.000 1.153 67 H CB 0.761 30.112 29.762 -0.685 0.000 2.234 67 H HN 0.084 nan 8.280 nan 0.000 0.541 68 M N 1.002 120.445 119.600 -0.261 0.000 2.346 68 M HA -0.105 4.369 4.480 -0.009 0.000 0.263 68 M C 1.520 177.583 176.300 -0.395 0.000 1.064 68 M CA 1.202 56.330 55.300 -0.287 0.000 1.083 68 M CB -0.582 31.829 32.600 -0.315 0.000 1.399 68 M HN 0.399 nan 8.290 nan 0.000 0.435 69 D N -0.601 119.615 120.400 -0.307 0.000 2.352 69 D HA -0.111 4.523 4.640 -0.009 0.000 0.232 69 D C 0.786 177.016 176.300 -0.116 0.000 1.055 69 D CA 0.522 54.400 54.000 -0.203 0.000 0.891 69 D CB -0.384 40.374 40.800 -0.070 0.000 0.897 69 D HN 0.442 nan 8.370 nan 0.000 0.529 70 E N 0.330 120.457 120.200 -0.122 0.000 2.498 70 E HA 0.024 4.369 4.350 -0.009 0.000 0.203 70 E C 0.441 177.185 176.600 0.241 0.000 1.013 70 E CA -0.088 56.271 56.400 -0.068 0.000 0.927 70 E CB 0.588 30.298 29.700 0.018 0.000 1.012 70 E HN 0.357 nan 8.360 nan 0.000 0.482 71 T N 0.663 115.332 114.554 0.191 0.000 2.906 71 T HA 0.102 4.446 4.350 -0.009 0.000 0.320 71 T C -2.433 172.471 174.700 0.340 0.000 1.088 71 T CA -1.411 60.851 62.100 0.270 0.000 1.120 71 T CB 0.529 69.510 68.868 0.190 0.000 1.000 71 T HN -0.239 nan 8.240 nan 0.000 0.550 72 P HA 0.262 nan 4.420 nan 0.000 0.270 72 P C -0.476 176.933 177.300 0.182 0.000 1.223 72 P CA -0.319 62.944 63.100 0.272 0.000 0.785 72 P CB 0.393 32.235 31.700 0.236 0.000 0.923 73 Q N -0.355 119.492 119.800 0.079 0.000 2.528 73 Q HA 0.773 5.108 4.340 -0.009 0.000 0.289 73 Q C -1.518 174.359 176.000 -0.204 0.000 1.091 73 Q CA -1.094 54.647 55.803 -0.103 0.000 0.797 73 Q CB 2.823 31.426 28.738 -0.225 0.000 1.466 73 Q HN 0.230 nan 8.270 nan 0.000 0.436 74 V N 0.700 120.412 119.914 -0.336 0.000 2.969 74 V HA 0.400 4.514 4.120 -0.009 0.000 0.304 74 V C -2.012 173.774 176.094 -0.513 0.000 1.192 74 V CA -0.508 61.584 62.300 -0.345 0.000 0.962 74 V CB 1.652 33.358 31.823 -0.195 0.000 1.045 74 V HN 0.764 nan 8.190 nan 0.000 0.428 75 Y N 6.115 126.167 120.300 -0.414 0.000 2.436 75 Y HA 0.508 5.053 4.550 -0.008 0.000 0.336 75 Y C 0.447 176.118 175.900 -0.382 0.000 1.049 75 Y CA 0.026 57.857 58.100 -0.449 0.000 1.294 75 Y CB 1.012 39.263 38.460 -0.348 0.000 1.179 75 Y HN 0.469 nan 8.280 nan 0.000 0.520 76 L N 5.040 125.924 121.223 -0.565 0.000 2.334 76 L HA 0.442 4.777 4.340 -0.009 0.000 0.273 76 L C -0.933 175.767 176.870 -0.282 0.000 1.013 76 L CA -1.193 53.331 54.840 -0.525 0.000 0.816 76 L CB 1.659 42.874 42.059 -1.405 0.000 1.278 76 L HN 0.431 nan 8.230 nan 0.000 0.431 77 L N 2.122 123.462 121.223 0.195 0.000 2.307 77 L HA 0.459 4.794 4.340 -0.009 0.000 0.284 77 L C 0.506 177.621 176.870 0.408 0.000 1.023 77 L CA 0.061 55.011 54.840 0.183 0.000 0.810 77 L CB 1.743 43.821 42.059 0.032 0.000 1.231 77 L HN 0.743 nan 8.230 nan 0.000 0.423 78 T N 0.496 115.249 114.554 0.331 0.000 2.828 78 T HA 0.276 4.621 4.350 -0.009 0.000 0.290 78 T C 0.162 174.954 174.700 0.155 0.000 1.019 78 T CA -0.799 61.488 62.100 0.311 0.000 1.031 78 T CB 0.339 69.322 68.868 0.192 0.000 1.001 78 T HN 0.548 nan 8.240 nan 0.000 0.531 79 D N 0.767 121.221 120.400 0.091 0.000 2.406 79 D HA 0.099 4.734 4.640 -0.009 0.000 0.234 79 D C 0.456 176.788 176.300 0.053 0.000 1.196 79 D CA 0.213 54.239 54.000 0.043 0.000 0.881 79 D CB 0.318 41.129 40.800 0.018 0.000 1.205 79 D HN 0.462 nan 8.370 nan 0.000 0.453 80 R N 1.203 121.728 120.500 0.042 0.000 2.248 80 R HA 0.239 4.574 4.340 -0.009 0.000 0.328 80 R C -0.263 176.076 176.300 0.065 0.000 1.067 80 R CA -0.414 55.714 56.100 0.048 0.000 0.924 80 R CB 0.535 30.852 30.300 0.029 0.000 1.013 80 R HN 0.268 nan 8.270 nan 0.000 0.454 81 I N 4.685 125.312 120.570 0.094 0.000 2.336 81 I HA 0.139 4.303 4.170 -0.009 0.000 0.292 81 I C 0.047 176.254 176.117 0.150 0.000 0.991 81 I CA -1.128 60.234 61.300 0.104 0.000 1.227 81 I CB 1.087 39.139 38.000 0.086 0.000 1.366 81 I HN 0.424 nan 8.210 nan 0.000 0.466 82 L N 6.415 127.714 121.223 0.127 0.000 2.360 82 L HA 0.458 4.793 4.340 -0.009 0.000 0.276 82 L C 0.464 177.398 176.870 0.108 0.000 1.121 82 L CA 0.123 55.055 54.840 0.153 0.000 0.845 82 L CB 0.724 42.882 42.059 0.166 0.000 1.143 82 L HN 0.734 nan 8.230 nan 0.000 0.452 83 A N 4.626 127.523 122.820 0.129 0.000 2.366 83 A HA 0.400 4.715 4.320 -0.009 0.000 0.272 83 A C 0.545 177.933 177.584 -0.327 0.000 1.135 83 A CA -0.330 51.682 52.037 -0.042 0.000 0.804 83 A CB 0.091 19.107 19.000 0.027 0.000 1.064 83 A HN 0.894 nan 8.150 nan 0.000 0.499 84 E N 1.168 121.123 120.200 -0.408 0.000 2.526 84 E HA 0.131 4.476 4.350 -0.009 0.000 0.208 84 E C 0.325 176.548 176.600 -0.630 0.000 0.997 84 E CA 0.578 56.524 56.400 -0.757 0.000 0.961 84 E CB 0.322 29.805 29.700 -0.363 0.000 1.030 84 E HN 0.808 nan 8.360 nan 0.000 0.483 85 S N 0.157 115.603 115.700 -0.424 0.000 3.497 85 S HA 0.067 4.532 4.470 -0.009 0.000 0.319 85 S C -0.326 174.137 174.600 -0.230 0.000 1.195 85 S CA -0.362 57.671 58.200 -0.279 0.000 1.118 85 S CB 0.395 63.496 63.200 -0.165 0.000 1.495 85 S HN -0.000 nan 8.310 nan 0.000 0.655 86 D N 1.265 121.572 120.400 -0.155 0.000 2.349 86 D HA 0.202 4.837 4.640 -0.009 0.000 0.214 86 D C 0.808 177.028 176.300 -0.134 0.000 1.063 86 D CA 0.612 54.531 54.000 -0.135 0.000 0.847 86 D CB -0.265 40.482 40.800 -0.089 0.000 0.933 86 D HN 0.731 nan 8.370 nan 0.000 0.513 87 T N -2.775 111.701 114.554 -0.129 0.000 2.932 87 T HA 0.681 5.025 4.350 -0.009 0.000 0.289 87 T C -0.505 174.115 174.700 -0.134 0.000 1.039 87 T CA -1.005 61.028 62.100 -0.111 0.000 1.024 87 T CB 2.311 71.145 68.868 -0.057 0.000 1.090 87 T HN -0.008 nan 8.240 nan 0.000 0.496 88 V N 0.867 120.711 119.914 -0.118 0.000 2.924 88 V HA 0.459 4.574 4.120 -0.009 0.000 0.300 88 V C -2.037 174.037 176.094 -0.033 0.000 1.227 88 V CA -0.757 61.484 62.300 -0.098 0.000 0.954 88 V CB 2.304 34.020 31.823 -0.178 0.000 1.055 88 V HN 1.089 nan 8.190 nan 0.000 0.429 89 D N 5.320 125.724 120.400 0.007 0.000 2.168 89 D HA 0.629 5.263 4.640 -0.009 0.000 0.246 89 D C -0.517 175.768 176.300 -0.026 0.000 1.050 89 D CA 0.191 54.199 54.000 0.013 0.000 0.857 89 D CB 2.138 42.984 40.800 0.076 0.000 1.169 89 D HN 0.519 nan 8.370 nan 0.000 0.453 90 I N 3.110 123.638 120.570 -0.071 0.000 2.448 90 I HA 0.233 4.398 4.170 -0.009 0.000 0.281 90 I C -2.445 173.619 176.117 -0.089 0.000 1.027 90 I CA -2.100 59.167 61.300 -0.056 0.000 1.111 90 I CB 2.086 40.056 38.000 -0.051 0.000 1.236 90 I HN -0.054 nan 8.210 nan 0.000 0.452 91 P HA 0.173 nan 4.420 nan 0.000 0.271 91 P C 0.574 177.830 177.300 -0.074 0.000 1.216 91 P CA -0.118 62.948 63.100 -0.056 0.000 0.776 91 P CB 0.987 32.683 31.700 -0.006 0.000 0.881 92 L N 1.675 122.804 121.223 -0.157 0.000 2.202 92 L HA 0.052 4.387 4.340 -0.009 0.000 0.205 92 L C 1.658 178.536 176.870 0.013 0.000 1.083 92 L CA 1.310 55.953 54.840 -0.329 0.000 0.790 92 L CB -0.309 41.279 42.059 -0.785 0.000 0.942 92 L HN 0.402 nan 8.230 nan 0.000 0.452 93 M N -1.120 118.534 119.600 0.091 0.000 2.333 93 M HA 0.085 4.560 4.480 -0.009 0.000 0.257 93 M C 1.506 177.960 176.300 0.257 0.000 1.078 93 M CA 0.412 55.875 55.300 0.272 0.000 1.005 93 M CB 0.220 32.922 32.600 0.170 0.000 1.444 93 M HN 0.169 nan 8.290 nan 0.000 0.496 94 E N 0.708 121.003 120.200 0.158 0.000 2.204 94 E HA -0.127 4.218 4.350 -0.009 0.000 0.195 94 E C 1.522 178.156 176.600 0.057 0.000 0.990 94 E CA 1.606 58.064 56.400 0.096 0.000 0.821 94 E CB 0.186 29.919 29.700 0.055 0.000 0.750 94 E HN 0.444 nan 8.360 nan 0.000 0.477 95 S N -0.618 115.078 115.700 -0.006 0.000 2.557 95 S HA 0.153 4.617 4.470 -0.009 0.000 0.223 95 S C 0.105 174.439 174.600 -0.443 0.000 0.969 95 S CA -0.533 57.518 58.200 -0.248 0.000 0.927 95 S CB 0.072 63.042 63.200 -0.383 0.000 0.806 95 S HN -0.042 nan 8.310 nan 0.000 0.489 96 F N 0.712 120.752 119.950 0.149 0.000 2.556 96 F HA 0.568 5.089 4.527 -0.009 0.000 0.327 96 F C -0.214 175.755 175.800 0.281 0.000 1.059 96 F CA -1.843 56.273 58.000 0.193 0.000 0.953 96 F CB 0.744 39.859 39.000 0.192 0.000 1.227 96 F HN 0.023 nan 8.300 nan 0.000 0.478 97 F N 2.224 122.367 119.950 0.322 0.000 2.462 97 F HA 0.404 4.926 4.527 -0.009 0.000 0.360 97 F C 1.057 176.997 175.800 0.233 0.000 1.134 97 F CA -1.482 56.663 58.000 0.242 0.000 1.148 97 F CB 0.366 39.509 39.000 0.238 0.000 1.147 97 F HN 0.579 nan 8.300 nan 0.000 0.550 98 A N 4.880 127.846 122.820 0.244 0.000 2.024 98 A HA -0.156 4.159 4.320 -0.009 0.000 0.220 98 A C 1.982 179.488 177.584 -0.129 0.000 1.164 98 A CA 1.560 53.640 52.037 0.071 0.000 0.643 98 A CB -0.487 18.577 19.000 0.107 0.000 0.806 98 A HN 0.784 nan 8.150 nan 0.000 0.451 99 E N -1.089 118.794 120.200 -0.528 0.000 2.358 99 E HA -0.134 4.211 4.350 -0.009 0.000 0.195 99 E C 1.938 178.408 176.600 -0.215 0.000 1.010 99 E CA 0.831 56.947 56.400 -0.474 0.000 0.856 99 E CB 0.032 29.313 29.700 -0.698 0.000 0.795 99 E HN 0.848 nan 8.360 nan 0.000 0.504 100 Q N 0.002 119.644 119.800 -0.263 0.000 2.394 100 Q HA 0.111 4.445 4.340 -0.009 0.000 0.218 100 Q C 0.083 176.117 176.000 0.057 0.000 0.907 100 Q CA 0.244 56.053 55.803 0.010 0.000 0.919 100 Q CB 0.693 29.452 28.738 0.035 0.000 1.051 100 Q HN 0.088 nan 8.270 nan 0.000 0.538 101 L N 1.293 122.547 121.223 0.053 0.000 2.386 101 L HA 0.535 4.870 4.340 -0.009 0.000 0.271 101 L C -0.917 176.002 176.870 0.082 0.000 0.993 101 L CA -0.634 54.240 54.840 0.057 0.000 0.819 101 L CB 2.234 44.304 42.059 0.018 0.000 1.294 101 L HN -0.159 nan 8.230 nan 0.000 0.414 102 K N 3.755 124.219 120.400 0.107 0.000 2.482 102 K HA 0.561 4.876 4.320 -0.009 0.000 0.251 102 K C -2.762 173.945 176.600 0.178 0.000 0.936 102 K CA -1.729 54.648 56.287 0.149 0.000 0.791 102 K CB 2.611 35.214 32.500 0.171 0.000 1.213 102 K HN 0.115 nan 8.250 nan 0.000 0.428 103 P HA -0.009 nan 4.420 nan 0.000 0.268 103 P C -1.087 176.344 177.300 0.218 0.000 1.205 103 P CA -0.301 62.936 63.100 0.229 0.000 0.771 103 P CB 0.433 32.202 31.700 0.114 0.000 0.858 104 N N 2.798 121.568 118.700 0.116 0.000 2.402 104 N HA 0.054 4.789 4.740 -0.009 0.000 0.252 104 N C 0.570 176.229 175.510 0.248 0.000 1.118 104 N CA 0.149 53.184 53.050 -0.025 0.000 0.945 104 N CB -0.019 38.169 38.487 -0.498 0.000 1.147 104 N HN 0.229 nan 8.380 nan 0.000 0.495 105 R N 1.854 122.491 120.500 0.229 0.000 2.312 105 R HA 0.102 4.437 4.340 -0.009 0.000 0.205 105 R C 0.256 176.604 176.300 0.081 0.000 0.904 105 R CA 0.082 56.267 56.100 0.142 0.000 1.052 105 R CB 0.563 30.940 30.300 0.128 0.000 1.014 105 R HN 0.536 nan 8.270 nan 0.000 0.503 106 D N 1.462 121.932 120.400 0.117 0.000 2.120 106 D HA -0.033 4.602 4.640 -0.009 0.000 0.202 106 D C 0.629 176.950 176.300 0.035 0.000 0.972 106 D CA 0.733 54.782 54.000 0.082 0.000 0.837 106 D CB -0.048 40.828 40.800 0.128 0.000 0.989 106 D HN 0.101 nan 8.370 nan 0.000 0.469 107 A N 1.503 124.318 122.820 -0.009 0.000 2.409 107 A HA 0.073 4.388 4.320 -0.009 0.000 0.267 107 A C -0.076 177.522 177.584 0.023 0.000 1.127 107 A CA -0.360 51.636 52.037 -0.068 0.000 0.795 107 A CB 0.315 19.078 19.000 -0.396 0.000 1.061 107 A HN -0.090 nan 8.150 nan 0.000 0.502 108 D N 3.992 124.486 120.400 0.157 0.000 2.518 108 D HA 0.040 4.675 4.640 -0.009 0.000 0.270 108 D C -1.381 174.898 176.300 -0.036 0.000 1.338 108 D CA -1.202 52.843 54.000 0.075 0.000 0.983 108 D CB 0.575 41.444 40.800 0.114 0.000 1.126 108 D HN 0.189 nan 8.370 nan 0.000 0.543 109 P HA -0.190 nan 4.420 nan 0.000 0.218 109 P C 0.666 177.758 177.300 -0.345 0.000 1.154 109 P CA 1.495 63.947 63.100 -1.080 0.000 0.872 109 P CB 0.003 30.942 31.700 -1.267 0.000 0.790 110 H N -1.878 117.083 119.070 -0.181 0.000 2.545 110 H HA 0.005 4.555 4.556 -0.009 0.000 0.282 110 H C 2.005 177.315 175.328 -0.031 0.000 1.020 110 H CA 1.003 56.963 56.048 -0.147 0.000 1.243 110 H CB -0.048 29.500 29.762 -0.356 0.000 1.377 110 H HN 0.120 nan 8.280 nan 0.000 0.581 111 K N -0.409 120.006 120.400 0.026 0.000 2.202 111 K HA -0.024 4.291 4.320 -0.009 0.000 0.201 111 K C 0.484 176.965 176.600 -0.198 0.000 1.051 111 K CA 0.689 56.880 56.287 -0.160 0.000 0.977 111 K CB 0.406 32.671 32.500 -0.392 0.000 0.792 111 K HN 0.278 nan 8.250 nan 0.000 0.469 112 Y N -1.518 118.910 120.300 0.212 0.000 2.442 112 Y HA 0.143 4.688 4.550 -0.009 0.000 0.250 112 Y C 0.122 176.438 175.900 0.695 0.000 1.113 112 Y CA -0.646 57.684 58.100 0.383 0.000 1.273 112 Y CB 0.527 39.185 38.460 0.331 0.000 1.138 112 Y HN 0.007 nan 8.280 nan 0.000 0.522 113 W N 0.629 122.152 121.300 0.371 0.000 2.671 113 W HA 0.641 5.296 4.660 -0.009 0.000 0.360 113 W C -0.482 176.156 176.519 0.199 0.000 1.128 113 W CA -1.882 55.634 57.345 0.286 0.000 1.184 113 W CB 0.546 30.138 29.460 0.219 0.000 1.415 113 W HN -0.315 nan 8.180 nan 0.000 0.604 114 E N 0.333 120.693 120.200 0.266 0.000 2.304 114 E HA 0.407 4.752 4.350 -0.009 0.000 0.277 114 E C -1.613 174.925 176.600 -0.103 0.000 0.898 114 E CA -0.615 55.852 56.400 0.111 0.000 0.764 114 E CB 2.895 32.619 29.700 0.040 0.000 1.216 114 E HN 0.042 nan 8.360 nan 0.000 0.419 115 V N 3.367 123.161 119.914 -0.199 0.000 2.439 115 V HA 0.392 4.507 4.120 -0.009 0.000 0.282 115 V C -0.271 175.825 176.094 0.004 0.000 1.039 115 V CA -0.598 61.569 62.300 -0.222 0.000 0.913 115 V CB 1.525 33.084 31.823 -0.441 0.000 0.983 115 V HN 0.393 nan 8.190 nan 0.000 0.460 116 V N 3.333 123.266 119.914 0.032 0.000 2.540 116 V HA 0.355 4.470 4.120 -0.009 0.000 0.302 116 V C -0.347 175.771 176.094 0.040 0.000 1.035 116 V CA -0.705 61.620 62.300 0.042 0.000 0.873 116 V CB 2.072 33.885 31.823 -0.017 0.000 0.992 116 V HN 0.895 nan 8.190 nan 0.000 0.428 117 D N 4.314 124.718 120.400 0.007 0.000 2.359 117 D HA 0.142 4.777 4.640 -0.009 0.000 0.250 117 D C 1.192 177.364 176.300 -0.214 0.000 1.264 117 D CA -0.202 53.640 54.000 -0.263 0.000 0.911 117 D CB 0.807 41.544 40.800 -0.105 0.000 1.056 117 D HN 0.307 nan 8.370 nan 0.000 0.499 118 R N 2.205 122.555 120.500 -0.250 0.000 2.189 118 R HA -0.028 4.306 4.340 -0.009 0.000 0.218 118 R C 1.570 177.766 176.300 -0.173 0.000 1.074 118 R CA 0.595 56.599 56.100 -0.159 0.000 0.991 118 R CB -0.445 29.785 30.300 -0.117 0.000 0.883 118 R HN 0.435 nan 8.270 nan 0.000 0.457 119 T N 0.154 114.553 114.554 -0.258 0.000 2.867 119 T HA -0.088 4.256 4.350 -0.009 0.000 0.268 119 T C 1.791 176.339 174.700 -0.254 0.000 1.057 119 T CA 1.925 63.842 62.100 -0.305 0.000 1.136 119 T CB -0.023 68.502 68.868 -0.572 0.000 0.874 119 T HN 0.479 nan 8.240 nan 0.000 0.466 120 T N -2.276 112.166 114.554 -0.186 0.000 2.969 120 T HA 0.459 4.804 4.350 -0.009 0.000 0.250 120 T C 1.840 176.509 174.700 -0.052 0.000 1.021 120 T CA 0.830 62.877 62.100 -0.088 0.000 1.003 120 T CB 0.257 69.122 68.868 -0.004 0.000 1.040 120 T HN 0.458 nan 8.240 nan 0.000 0.492 121 G N 1.532 110.295 108.800 -0.061 0.000 2.176 121 G HA2 -0.191 3.764 3.960 -0.009 0.000 0.253 121 G HA3 -0.191 3.764 3.960 -0.009 0.000 0.253 121 G C -0.211 174.681 174.900 -0.013 0.000 0.979 121 G CA -0.038 45.037 45.100 -0.042 0.000 0.641 121 G HN 0.592 nan 8.290 nan 0.000 0.530 122 E N 0.534 120.740 120.200 0.011 0.000 2.313 122 E HA 0.423 4.768 4.350 -0.009 0.000 0.276 122 E C 0.830 177.468 176.600 0.064 0.000 1.031 122 E CA -0.516 55.910 56.400 0.044 0.000 0.857 122 E CB 1.819 31.561 29.700 0.071 0.000 1.040 122 E HN 0.184 nan 8.360 nan 0.000 0.408 123 V N 3.194 123.150 119.914 0.070 0.000 2.599 123 V HA -0.039 4.076 4.120 -0.009 0.000 0.300 123 V C 0.612 176.797 176.094 0.152 0.000 1.034 123 V CA -0.156 62.206 62.300 0.102 0.000 1.115 123 V CB 0.773 32.654 31.823 0.098 0.000 0.934 123 V HN 0.362 nan 8.190 nan 0.000 0.485 124 V N 4.347 124.382 119.914 0.201 0.000 2.614 124 V HA 0.093 4.208 4.120 -0.009 0.000 0.291 124 V C 0.415 176.692 176.094 0.304 0.000 1.049 124 V CA -0.338 62.114 62.300 0.254 0.000 1.038 124 V CB 1.385 33.381 31.823 0.289 0.000 0.980 124 V HN 1.002 nan 8.190 nan 0.000 0.481 125 D N 2.926 123.467 120.400 0.235 0.000 2.424 125 D HA 0.044 4.679 4.640 -0.009 0.000 0.244 125 D C 1.377 177.810 176.300 0.222 0.000 1.134 125 D CA 0.628 54.743 54.000 0.192 0.000 0.881 125 D CB 1.162 42.023 40.800 0.102 0.000 1.191 125 D HN 0.646 nan 8.370 nan 0.000 0.445 126 S N 2.483 118.273 115.700 0.151 0.000 2.465 126 S HA -0.200 4.264 4.470 -0.009 0.000 0.241 126 S C 1.908 176.291 174.600 -0.362 0.000 1.000 126 S CA 0.587 58.715 58.200 -0.119 0.000 0.964 126 S CB -0.272 62.938 63.200 0.017 0.000 0.763 126 S HN 0.539 nan 8.310 nan 0.000 0.512 127 A N 2.070 124.778 122.820 -0.187 0.000 2.168 127 A HA 0.065 4.380 4.320 -0.009 0.000 0.215 127 A C 1.667 179.194 177.584 -0.094 0.000 1.152 127 A CA 0.900 52.825 52.037 -0.186 0.000 0.716 127 A CB -0.612 18.320 19.000 -0.113 0.000 0.794 127 A HN 0.705 nan 8.150 nan 0.000 0.465 128 N N -0.520 118.184 118.700 0.007 0.000 2.235 128 N HA 0.156 4.891 4.740 -0.009 0.000 0.209 128 N C -0.402 175.258 175.510 0.251 0.000 1.122 128 N CA -0.288 52.825 53.050 0.105 0.000 0.845 128 N CB 0.348 38.912 38.487 0.129 0.000 1.004 128 N HN 0.806 nan 8.380 nan 0.000 0.499 129 W N 0.521 121.899 121.300 0.131 0.000 3.083 129 W HA 0.534 5.189 4.660 -0.008 0.000 0.333 129 W C -1.188 175.480 176.519 0.248 0.000 1.217 129 W CA -0.873 56.563 57.345 0.151 0.000 1.170 129 W CB 0.547 30.079 29.460 0.120 0.000 1.437 129 W HN -0.235 nan 8.180 nan 0.000 0.557 130 T N -0.059 114.802 114.554 0.512 0.000 2.900 130 T HA 0.538 4.883 4.350 -0.009 0.000 0.303 130 T C -1.590 173.363 174.700 0.421 0.000 1.142 130 T CA -0.802 61.514 62.100 0.360 0.000 1.007 130 T CB 2.295 71.299 68.868 0.228 0.000 1.156 130 T HN 0.584 nan 8.240 nan 0.000 0.490 131 L N 2.080 123.477 121.223 0.291 0.000 2.265 131 L HA 0.529 4.864 4.340 -0.009 0.000 0.288 131 L C -0.038 176.937 176.870 0.175 0.000 1.058 131 L CA -0.062 54.905 54.840 0.211 0.000 0.809 131 L CB 0.460 42.583 42.059 0.107 0.000 1.179 131 L HN 0.898 nan 8.230 nan 0.000 0.429 132 D N 3.539 124.034 120.400 0.158 0.000 2.493 132 D HA 0.165 4.800 4.640 -0.009 0.000 0.240 132 D C 1.121 177.496 176.300 0.125 0.000 1.142 132 D CA 0.957 55.081 54.000 0.207 0.000 0.872 132 D CB 1.426 42.350 40.800 0.208 0.000 1.173 132 D HN 0.783 nan 8.370 nan 0.000 0.467 133 A N 3.529 126.414 122.820 0.109 0.000 2.015 133 A HA -0.127 4.188 4.320 -0.009 0.000 0.219 133 A C 1.445 179.066 177.584 0.061 0.000 1.163 133 A CA 1.232 53.311 52.037 0.070 0.000 0.646 133 A CB 0.035 19.066 19.000 0.052 0.000 0.806 133 A HN 0.666 nan 8.150 nan 0.000 0.448 134 D N -1.173 119.269 120.400 0.069 0.000 2.454 134 D HA 0.095 4.729 4.640 -0.009 0.000 0.214 134 D C 0.459 176.792 176.300 0.055 0.000 1.088 134 D CA 0.472 54.505 54.000 0.055 0.000 0.855 134 D CB 0.355 41.185 40.800 0.049 0.000 1.025 134 D HN 0.835 nan 8.370 nan 0.000 0.502 135 E N 0.499 120.736 120.200 0.062 0.000 2.343 135 E HA 0.287 4.632 4.350 -0.009 0.000 0.270 135 E C -1.171 175.445 176.600 0.026 0.000 0.895 135 E CA -0.731 55.695 56.400 0.045 0.000 0.767 135 E CB 1.621 31.349 29.700 0.047 0.000 1.248 135 E HN -0.348 nan 8.360 nan 0.000 0.440 136 D N 2.466 122.870 120.400 0.008 0.000 2.597 136 D HA 0.162 4.797 4.640 -0.009 0.000 0.228 136 D C -0.855 175.393 176.300 -0.086 0.000 1.120 136 D CA 0.372 54.352 54.000 -0.032 0.000 1.083 136 D CB 0.152 40.925 40.800 -0.045 0.000 1.116 136 D HN 0.280 nan 8.370 nan 0.000 0.487 137 T N -0.063 114.430 114.554 -0.101 0.000 2.921 137 T HA 0.295 4.639 4.350 -0.009 0.000 0.297 137 T C -0.077 174.462 174.700 -0.269 0.000 1.013 137 T CA -0.557 61.427 62.100 -0.194 0.000 0.990 137 T CB 2.398 71.134 68.868 -0.221 0.000 1.023 137 T HN -0.154 nan 8.240 nan 0.000 0.447 138 V N 4.508 124.286 119.914 -0.227 0.000 2.439 138 V HA 0.340 4.455 4.120 -0.009 0.000 0.282 138 V C -0.239 175.721 176.094 -0.223 0.000 1.039 138 V CA -0.721 61.497 62.300 -0.137 0.000 0.913 138 V CB 0.899 32.688 31.823 -0.058 0.000 0.983 138 V HN 0.810 nan 8.190 nan 0.000 0.460 139 H N 3.850 123.003 119.070 0.139 0.000 2.488 139 H HA 0.550 5.100 4.556 -0.009 0.000 0.322 139 H C -0.635 174.775 175.328 0.136 0.000 1.078 139 H CA -0.352 55.754 56.048 0.097 0.000 1.260 139 H CB 1.786 31.597 29.762 0.081 0.000 1.425 139 H HN 0.364 nan 8.280 nan 0.000 0.471 140 V N 2.910 122.916 119.914 0.153 0.000 2.680 140 V HA 0.446 4.561 4.120 -0.009 0.000 0.309 140 V C 0.172 176.272 176.094 0.010 0.000 1.052 140 V CA -0.703 61.653 62.300 0.094 0.000 0.908 140 V CB 1.780 33.566 31.823 -0.063 0.000 1.001 140 V HN 0.956 nan 8.190 nan 0.000 0.431 141 S N 1.392 117.105 115.700 0.021 0.000 2.685 141 S HA 0.800 5.264 4.470 -0.009 0.000 0.282 141 S C 0.559 175.144 174.600 -0.026 0.000 1.159 141 S CA -0.067 58.119 58.200 -0.024 0.000 0.833 141 S CB 1.595 64.796 63.200 0.001 0.000 1.151 141 S HN 2.383 nan 8.310 nan 0.000 0.485 142 G N -0.308 108.470 108.800 -0.036 0.000 2.249 142 G HA2 -0.152 3.803 3.960 -0.009 0.000 0.273 142 G HA3 -0.152 3.803 3.960 -0.009 0.000 0.273 142 G C 0.175 175.056 174.900 -0.031 0.000 1.036 142 G CA 0.509 45.595 45.100 -0.023 0.000 0.824 142 G HN 1.916 nan 8.290 nan 0.000 0.504 143 V N -3.245 116.614 119.914 -0.091 0.000 3.096 143 V HA 0.968 5.083 4.120 -0.009 0.000 0.319 143 V C 0.601 176.646 176.094 -0.082 0.000 1.082 143 V CA -0.643 61.598 62.300 -0.099 0.000 1.022 143 V CB 1.828 33.400 31.823 -0.420 0.000 1.103 143 V HN 1.673 nan 8.190 nan 0.000 0.455 144 A N 1.559 124.353 122.820 -0.043 0.000 2.301 144 A HA 0.834 5.149 4.320 -0.009 0.000 0.298 144 A C 0.593 178.039 177.584 -0.231 0.000 1.185 144 A CA -0.081 51.813 52.037 -0.239 0.000 0.830 144 A CB 0.208 18.850 19.000 -0.596 0.000 1.112 144 A HN 2.166 nan 8.150 nan 0.000 0.508 145 A N 1.617 124.280 122.820 -0.261 0.000 2.531 145 A HA 0.367 4.682 4.320 -0.009 0.000 0.236 145 A C 0.269 177.682 177.584 -0.286 0.000 1.062 145 A CA 0.965 52.708 52.037 -0.491 0.000 0.760 145 A CB -0.943 17.632 19.000 -0.707 0.000 0.995 145 A HN 1.726 nan 8.150 nan 0.000 0.501 146 W N -1.541 119.849 121.300 0.151 0.000 2.560 146 W HA -0.193 4.463 4.660 -0.007 0.000 0.279 146 W C 0.338 177.036 176.519 0.299 0.000 1.090 146 W CA 0.758 58.216 57.345 0.189 0.000 0.535 146 W CB -2.420 27.128 29.460 0.146 0.000 2.121 146 W HN 0.884 nan 8.180 nan 0.000 1.314 147 H N 0.430 119.609 119.070 0.180 0.000 2.502 147 H HA 0.427 4.978 4.556 -0.008 0.000 0.338 147 H C 0.356 175.653 175.328 -0.052 0.000 1.155 147 H CA -0.983 55.064 56.048 -0.002 0.000 1.237 147 H CB 1.147 30.811 29.762 -0.163 0.000 1.534 147 H HN -0.032 nan 8.280 nan 0.000 0.523 148 E N 1.724 121.870 120.200 -0.090 0.000 2.249 148 E HA 0.220 4.564 4.350 -0.009 0.000 0.280 148 E C -1.196 175.219 176.600 -0.308 0.000 1.016 148 E CA -0.360 56.003 56.400 -0.062 0.000 0.830 148 E CB 1.299 30.980 29.700 -0.032 0.000 1.081 148 E HN 0.388 nan 8.360 nan 0.000 0.395 149 Y N 0.281 120.605 120.300 0.040 0.000 2.462 149 Y HA 0.375 4.920 4.550 -0.008 0.000 0.346 149 Y C 0.333 176.230 175.900 -0.005 0.000 0.976 149 Y CA -0.737 57.373 58.100 0.017 0.000 1.044 149 Y CB 2.322 40.789 38.460 0.012 0.000 1.230 149 Y HN 0.467 nan 8.280 nan 0.000 0.455 150 T N -1.323 113.298 114.554 0.113 0.000 2.901 150 T HA 0.819 5.164 4.350 -0.009 0.000 0.293 150 T C -1.442 173.256 174.700 -0.003 0.000 1.084 150 T CA -0.900 61.231 62.100 0.051 0.000 1.008 150 T CB 1.533 70.415 68.868 0.025 0.000 1.170 150 T HN 0.321 nan 8.240 nan 0.000 0.509 151 V N 1.778 121.683 119.914 -0.015 0.000 2.495 151 V HA 0.583 4.698 4.120 -0.009 0.000 0.298 151 V C -0.173 175.932 176.094 0.017 0.000 1.031 151 V CA -0.830 61.424 62.300 -0.076 0.000 0.871 151 V CB 1.948 33.678 31.823 -0.154 0.000 0.988 151 V HN 1.093 nan 8.190 nan 0.000 0.432 152 S N 5.874 121.543 115.700 -0.051 0.000 2.422 152 S HA 0.762 5.227 4.470 -0.009 0.000 0.308 152 S C -0.592 173.933 174.600 -0.124 0.000 1.097 152 S CA -0.475 57.673 58.200 -0.087 0.000 1.099 152 S CB 0.350 63.446 63.200 -0.174 0.000 0.976 152 S HN 0.628 nan 8.310 nan 0.000 0.471 153 F N 0.490 120.138 119.950 -0.503 0.000 2.603 153 F HA 0.718 5.240 4.527 -0.009 0.000 0.317 153 F C -1.020 174.324 175.800 -0.759 0.000 1.066 153 F CA -1.610 55.639 58.000 -1.252 0.000 0.941 153 F CB 0.824 38.585 39.000 -2.064 0.000 1.291 153 F HN 0.241 nan 8.300 nan 0.000 0.472 154 L N 2.695 123.476 121.223 -0.737 0.000 2.349 154 L HA 0.679 5.013 4.340 -0.009 0.000 0.275 154 L C -0.059 176.549 176.870 -0.437 0.000 1.115 154 L CA -0.584 53.875 54.840 -0.635 0.000 0.820 154 L CB 1.278 43.100 42.059 -0.395 0.000 1.135 154 L HN 0.964 nan 8.230 nan 0.000 0.445 155 A N 3.435 125.938 122.820 -0.528 0.000 2.393 155 A HA 0.607 4.922 4.320 -0.009 0.000 0.306 155 A C -1.370 176.026 177.584 -0.314 0.000 1.050 155 A CA -0.540 51.289 52.037 -0.347 0.000 0.724 155 A CB 0.817 19.607 19.000 -0.350 0.000 1.248 155 A HN 0.492 nan 8.150 nan 0.000 0.424 156 Y N 1.161 121.433 120.300 -0.046 0.000 2.411 156 Y HA 0.312 4.857 4.550 -0.009 0.000 0.333 156 Y C 0.590 176.479 175.900 -0.018 0.000 1.186 156 Y CA 0.255 58.343 58.100 -0.021 0.000 1.381 156 Y CB 0.437 38.901 38.460 0.008 0.000 1.273 156 Y HN 0.434 nan 8.280 nan 0.000 0.546 157 I N 5.688 126.363 120.570 0.175 0.000 2.291 157 I HA 0.143 4.307 4.170 -0.009 0.000 0.290 157 I C 0.953 177.158 176.117 0.147 0.000 1.050 157 I CA -0.047 61.324 61.300 0.118 0.000 1.245 157 I CB 0.425 38.473 38.000 0.080 0.000 1.405 157 I HN 0.670 nan 8.210 nan 0.000 0.478 158 I N 2.667 123.320 120.570 0.139 0.000 3.883 158 I HA 0.281 4.445 4.170 -0.009 0.000 0.326 158 I C -0.331 175.896 176.117 0.185 0.000 1.283 158 I CA 0.128 61.501 61.300 0.121 0.000 1.161 158 I CB 0.298 38.337 38.000 0.065 0.000 1.012 158 I HN 0.483 nan 8.210 nan 0.000 0.421 159 W N 2.730 124.006 121.300 -0.040 0.000 3.211 159 W HA 0.364 5.019 4.660 -0.008 0.000 0.335 159 W C -1.345 175.125 176.519 -0.082 0.000 1.113 159 W CA -1.862 55.440 57.345 -0.072 0.000 1.235 159 W CB 1.246 30.608 29.460 -0.162 0.000 1.365 159 W HN 0.049 nan 8.180 nan 0.000 0.476 160 D N 6.981 127.543 120.400 0.269 0.000 2.434 160 D HA 0.111 4.746 4.640 -0.009 0.000 0.252 160 D C -1.408 174.773 176.300 -0.198 0.000 1.185 160 D CA -0.457 53.550 54.000 0.012 0.000 0.886 160 D CB 1.819 42.624 40.800 0.010 0.000 1.148 160 D HN 0.006 nan 8.370 nan 0.000 0.483 161 P HA -0.195 nan 4.420 nan 0.000 0.216 161 P C 1.377 178.475 177.300 -0.337 0.000 1.153 161 P CA 0.555 63.464 63.100 -0.318 0.000 0.858 161 P CB 0.211 31.760 31.700 -0.251 0.000 0.789 162 V N 0.075 119.834 119.914 -0.257 0.000 2.283 162 V HA -0.192 3.923 4.120 -0.009 0.000 0.243 162 V C 2.534 178.553 176.094 -0.126 0.000 1.039 162 V CA 1.734 63.924 62.300 -0.182 0.000 1.016 162 V CB -1.036 30.688 31.823 -0.164 0.000 0.650 162 V HN 0.156 nan 8.190 nan 0.000 0.449 163 E N -0.078 120.048 120.200 -0.125 0.000 2.118 163 E HA -0.269 4.076 4.350 -0.009 0.000 0.195 163 E C 2.194 178.774 176.600 -0.033 0.000 0.992 163 E CA 1.911 58.323 56.400 0.020 0.000 0.804 163 E CB -0.197 29.576 29.700 0.121 0.000 0.741 163 E HN 0.576 nan 8.360 nan 0.000 0.458 164 M N -0.274 119.027 119.600 -0.498 0.000 2.065 164 M HA -0.265 4.209 4.480 -0.009 0.000 0.259 164 M C 2.355 178.228 176.300 -0.712 0.000 1.071 164 M CA 1.998 56.563 55.300 -1.226 0.000 1.109 164 M CB -0.604 30.753 32.600 -2.072 0.000 1.313 164 M HN 0.162 nan 8.290 nan 0.000 0.408 165 Y N 1.391 121.289 120.300 -0.670 0.000 2.102 165 Y HA -0.366 4.179 4.550 -0.009 0.000 0.280 165 Y C 1.690 177.383 175.900 -0.345 0.000 1.178 165 Y CA 2.759 60.586 58.100 -0.456 0.000 1.146 165 Y CB -0.842 37.454 38.460 -0.274 0.000 0.968 165 Y HN 0.497 nan 8.280 nan 0.000 0.504 166 N N -1.572 116.955 118.700 -0.288 0.000 2.120 166 N HA -0.217 4.518 4.740 -0.009 0.000 0.188 166 N C 1.743 176.663 175.510 -0.983 0.000 1.024 166 N CA 1.061 53.803 53.050 -0.515 0.000 0.852 166 N CB -0.415 37.925 38.487 -0.245 0.000 1.003 166 N HN 0.538 nan 8.380 nan 0.000 0.424 167 H N 0.995 119.592 119.070 -0.789 0.000 2.267 167 H HA -0.069 4.481 4.556 -0.009 0.000 0.297 167 H C 1.993 177.027 175.328 -0.489 0.000 1.080 167 H CA 1.650 57.359 56.048 -0.564 0.000 1.278 167 H CB -0.139 29.785 29.762 0.270 0.000 1.365 167 H HN 0.083 nan 8.280 nan 0.000 0.489 168 L N -0.430 120.692 121.223 -0.169 0.000 1.989 168 L HA -0.212 4.123 4.340 -0.009 0.000 0.211 168 L C 2.632 179.319 176.870 -0.305 0.000 1.071 168 L CA 1.851 56.590 54.840 -0.168 0.000 0.749 168 L CB -0.757 41.161 42.059 -0.235 0.000 0.890 168 L HN 0.411 nan 8.230 nan 0.000 0.431 169 T N -0.484 113.760 114.554 -0.517 0.000 2.778 169 T HA -0.193 4.152 4.350 -0.009 0.000 0.269 169 T C 1.387 175.904 174.700 -0.306 0.000 1.050 169 T CA 1.885 63.703 62.100 -0.470 0.000 1.137 169 T CB -0.349 68.079 68.868 -0.732 0.000 0.860 169 T HN 0.390 nan 8.240 nan 0.000 0.468 170 N N 0.219 118.635 118.700 -0.473 0.000 2.236 170 N HA 0.092 4.827 4.740 -0.009 0.000 0.196 170 N C -0.325 175.019 175.510 -0.277 0.000 1.114 170 N CA -0.023 52.801 53.050 -0.377 0.000 0.859 170 N CB 0.280 38.339 38.487 -0.713 0.000 0.982 170 N HN 0.094 nan 8.380 nan 0.000 0.493 171 D N -0.237 120.006 120.400 -0.261 0.000 2.980 171 D HA -0.197 4.438 4.640 -0.009 0.000 0.218 171 D C -0.419 175.848 176.300 -0.054 0.000 1.225 171 D CA 0.212 54.143 54.000 -0.115 0.000 0.804 171 D CB -0.645 40.148 40.800 -0.012 0.000 0.906 171 D HN 0.324 nan 8.370 nan 0.000 0.396 172 W N 2.014 123.083 121.300 -0.385 0.000 3.077 172 W HA 0.276 4.931 4.660 -0.008 0.000 0.245 172 W C 2.105 178.480 176.519 -0.239 0.000 1.316 172 W CA 0.546 57.656 57.345 -0.392 0.000 1.537 172 W CB -0.865 28.277 29.460 -0.530 0.000 1.131 172 W HN 0.615 nan 8.180 nan 0.000 0.695 173 G N 1.594 110.448 108.800 0.090 0.000 2.793 173 G HA2 -0.424 3.531 3.960 -0.009 0.000 0.334 173 G HA3 -0.424 3.531 3.960 -0.009 0.000 0.334 173 G C 0.994 176.093 174.900 0.332 0.000 1.186 173 G CA 1.294 46.531 45.100 0.229 0.000 0.960 173 G HN 0.232 nan 8.290 nan 0.000 0.562 174 D N 1.580 122.106 120.400 0.211 0.000 2.350 174 D HA 0.108 4.743 4.640 -0.009 0.000 0.213 174 D C 1.334 177.719 176.300 0.141 0.000 1.031 174 D CA 0.328 54.419 54.000 0.151 0.000 0.861 174 D CB 0.097 40.939 40.800 0.071 0.000 0.926 174 D HN 0.523 nan 8.370 nan 0.000 0.520 175 K N 2.122 122.647 120.400 0.209 0.000 2.543 175 K HA -0.145 4.170 4.320 -0.009 0.000 0.279 175 K C 0.354 177.080 176.600 0.210 0.000 1.001 175 K CA 0.233 56.631 56.287 0.185 0.000 1.088 175 K CB 0.452 33.065 32.500 0.189 0.000 0.863 175 K HN -0.021 nan 8.250 nan 0.000 0.488 176 E N 3.733 123.963 120.200 0.050 0.000 2.465 176 E HA -0.089 4.256 4.350 -0.009 0.000 0.260 176 E C -0.856 175.753 176.600 0.014 0.000 0.980 176 E CA 0.086 56.447 56.400 -0.064 0.000 0.927 176 E CB 0.349 30.016 29.700 -0.054 0.000 0.934 176 E HN 0.540 nan 8.360 nan 0.000 0.459 177 H N 3.754 122.627 119.070 -0.327 0.000 2.767 177 H HA 0.100 4.651 4.556 -0.009 0.000 0.316 177 H C -0.286 174.867 175.328 -0.291 0.000 1.059 177 H CA -0.551 55.122 56.048 -0.626 0.000 1.461 177 H CB 0.666 29.508 29.762 -1.532 0.000 1.475 177 H HN 0.460 nan 8.280 nan 0.000 0.531 178 E N 3.700 123.959 120.200 0.099 0.000 2.223 178 E HA 0.131 4.476 4.350 -0.009 0.000 0.282 178 E C -0.246 176.464 176.600 0.182 0.000 1.046 178 E CA -0.283 56.206 56.400 0.148 0.000 0.857 178 E CB 1.088 30.884 29.700 0.161 0.000 1.055 178 E HN 0.425 nan 8.360 nan 0.000 0.409 179 I N 6.469 127.127 120.570 0.146 0.000 2.325 179 I HA 0.203 4.368 4.170 -0.009 0.000 0.291 179 I C -1.925 174.294 176.117 0.170 0.000 1.019 179 I CA -2.115 59.280 61.300 0.160 0.000 1.302 179 I CB 0.840 38.920 38.000 0.134 0.000 1.401 179 I HN 0.266 nan 8.210 nan 0.000 0.485 180 P HA 0.342 nan 4.420 nan 0.000 0.278 180 P C -1.206 176.143 177.300 0.081 0.000 1.258 180 P CA -0.179 62.881 63.100 -0.066 0.000 0.811 180 P CB 0.825 32.506 31.700 -0.032 0.000 1.063 181 F N -1.824 118.251 119.950 0.210 0.000 2.613 181 F HA 0.630 5.152 4.527 -0.009 0.000 0.314 181 F C -0.637 175.310 175.800 0.245 0.000 1.075 181 F CA -1.324 56.827 58.000 0.251 0.000 0.945 181 F CB 1.019 40.218 39.000 0.332 0.000 1.310 181 F HN 0.052 nan 8.300 nan 0.000 0.467 182 D N 2.113 122.824 120.400 0.518 0.000 2.414 182 D HA 0.283 4.918 4.640 -0.009 0.000 0.232 182 D C 0.629 177.184 176.300 0.426 0.000 1.070 182 D CA -0.617 53.630 54.000 0.411 0.000 0.839 182 D CB 1.282 42.364 40.800 0.471 0.000 1.079 182 D HN 0.700 nan 8.370 nan 0.000 0.521 183 I N 1.603 122.349 120.570 0.293 0.000 3.334 183 I HA 0.006 4.171 4.170 -0.009 0.000 0.282 183 I C 1.160 177.460 176.117 0.304 0.000 1.313 183 I CA 0.174 61.624 61.300 0.250 0.000 1.396 183 I CB -0.363 37.641 38.000 0.007 0.000 1.054 183 I HN 0.271 nan 8.210 nan 0.000 0.495 184 Y N 2.051 122.388 120.300 0.061 0.000 2.333 184 Y HA -0.088 4.457 4.550 -0.008 0.000 0.290 184 Y C 1.325 177.066 175.900 -0.266 0.000 1.144 184 Y CA 0.956 58.870 58.100 -0.311 0.000 1.228 184 Y CB -0.152 38.001 38.460 -0.512 0.000 0.985 184 Y HN 0.313 nan 8.280 nan 0.000 0.542 185 H N 1.233 120.420 119.070 0.195 0.000 2.580 185 H HA 0.116 4.667 4.556 -0.009 0.000 0.322 185 H C -1.588 173.810 175.328 0.116 0.000 1.082 185 H CA -2.092 54.041 56.048 0.143 0.000 1.383 185 H CB 0.912 30.793 29.762 0.199 0.000 1.450 185 H HN 0.127 nan 8.280 nan 0.000 0.505 186 P HA -0.121 nan 4.420 nan 0.000 0.218 186 P C 1.320 178.705 177.300 0.142 0.000 1.149 186 P CA 1.219 64.388 63.100 0.115 0.000 0.817 186 P CB 0.203 31.945 31.700 0.071 0.000 0.785 187 A N -0.099 122.827 122.820 0.178 0.000 1.858 187 A HA -0.162 4.152 4.320 -0.009 0.000 0.216 187 A C 2.419 180.132 177.584 0.214 0.000 1.190 187 A CA 2.535 54.692 52.037 0.201 0.000 0.617 187 A CB -1.949 17.162 19.000 0.186 0.000 0.827 187 A HN 0.160 nan 8.150 nan 0.000 0.443 188 T N -1.107 113.638 114.554 0.318 0.000 2.821 188 T HA -0.118 4.227 4.350 -0.009 0.000 0.267 188 T C 2.075 176.842 174.700 0.112 0.000 1.046 188 T CA 1.529 63.787 62.100 0.264 0.000 1.139 188 T CB -0.206 68.939 68.868 0.462 0.000 0.871 188 T HN 0.542 nan 8.240 nan 0.000 0.454 189 R N 1.036 121.635 120.500 0.165 0.000 2.081 189 R HA -0.072 4.263 4.340 -0.009 0.000 0.235 189 R C 2.439 178.846 176.300 0.177 0.000 1.131 189 R CA 1.655 57.850 56.100 0.159 0.000 0.960 189 R CB -0.121 30.293 30.300 0.191 0.000 0.856 189 R HN 0.280 nan 8.270 nan 0.000 0.436 190 K N -0.446 120.021 120.400 0.112 0.000 2.057 190 K HA -0.201 4.114 4.320 -0.009 0.000 0.207 190 K C 1.926 178.502 176.600 -0.039 0.000 1.049 190 K CA 1.631 57.963 56.287 0.075 0.000 0.931 190 K CB -0.332 32.192 32.500 0.040 0.000 0.714 190 K HN 0.173 nan 8.250 nan 0.000 0.440 191 F N 1.291 120.998 119.950 -0.405 0.000 2.095 191 F HA -0.211 4.310 4.527 -0.009 0.000 0.298 191 F C 1.781 177.318 175.800 -0.438 0.000 1.104 191 F CA 1.416 58.998 58.000 -0.697 0.000 1.232 191 F CB -0.377 37.610 39.000 -1.688 0.000 0.987 191 F HN -0.174 nan 8.300 nan 0.000 0.475 192 V N -0.104 119.606 119.914 -0.340 0.000 2.295 192 V HA -0.302 3.812 4.120 -0.009 0.000 0.246 192 V C 2.277 178.215 176.094 -0.259 0.000 1.049 192 V CA 2.107 64.238 62.300 -0.282 0.000 1.024 192 V CB -0.894 30.879 31.823 -0.082 0.000 0.648 192 V HN 0.285 nan 8.190 nan 0.000 0.447 193 F N 0.500 120.421 119.950 -0.049 0.000 2.146 193 F HA -0.109 4.412 4.527 -0.009 0.000 0.298 193 F C 2.281 178.071 175.800 -0.017 0.000 1.096 193 F CA 1.556 59.571 58.000 0.025 0.000 1.275 193 F CB -0.662 38.339 39.000 0.002 0.000 1.008 193 F HN 0.199 nan 8.300 nan 0.000 0.480 194 D N -0.454 119.964 120.400 0.030 0.000 2.097 194 D HA -0.137 4.497 4.640 -0.009 0.000 0.195 194 D C 2.288 178.515 176.300 -0.121 0.000 0.989 194 D CA 1.937 55.901 54.000 -0.059 0.000 0.827 194 D CB -0.870 39.859 40.800 -0.119 0.000 0.966 194 D HN 0.179 nan 8.370 nan 0.000 0.456 195 T N 0.601 114.962 114.554 -0.322 0.000 2.746 195 T HA -0.168 4.177 4.350 -0.009 0.000 0.267 195 T C 1.714 176.465 174.700 0.086 0.000 1.039 195 T CA 0.713 62.648 62.100 -0.276 0.000 1.142 195 T CB -0.472 67.988 68.868 -0.679 0.000 0.866 195 T HN 0.082 nan 8.240 nan 0.000 0.444 196 F N 1.933 121.870 119.950 -0.023 0.000 2.134 196 F HA -0.036 4.486 4.527 -0.009 0.000 0.299 196 F C 2.386 178.243 175.800 0.096 0.000 1.097 196 F CA 1.280 59.289 58.000 0.015 0.000 1.264 196 F CB -0.458 38.490 39.000 -0.086 0.000 1.001 196 F HN 0.178 nan 8.300 nan 0.000 0.479 197 E N -0.428 119.753 120.200 -0.032 0.000 2.058 197 E HA -0.344 4.001 4.350 -0.009 0.000 0.194 197 E C 2.216 178.754 176.600 -0.103 0.000 0.997 197 E CA 1.572 57.906 56.400 -0.110 0.000 0.801 197 E CB -0.239 29.455 29.700 -0.010 0.000 0.746 197 E HN 0.384 nan 8.360 nan 0.000 0.450 198 Q N -0.214 119.571 119.800 -0.025 0.000 2.119 198 Q HA -0.168 4.167 4.340 -0.009 0.000 0.201 198 Q C 1.575 177.591 176.000 0.027 0.000 0.972 198 Q CA 1.849 57.650 55.803 -0.002 0.000 0.847 198 Q CB -0.632 28.118 28.738 0.020 0.000 0.903 198 Q HN 0.505 nan 8.270 nan 0.000 0.433 199 W N -0.136 121.104 121.300 -0.101 0.000 2.388 199 W HA -0.067 4.588 4.660 -0.009 0.000 0.294 199 W C 1.337 177.755 176.519 -0.168 0.000 1.212 199 W CA 1.114 58.428 57.345 -0.051 0.000 1.271 199 W CB -0.091 29.449 29.460 0.133 0.000 1.126 199 W HN 0.172 nan 8.180 nan 0.000 0.535 200 L N 0.814 121.946 121.223 -0.151 0.000 2.079 200 L HA -0.252 4.082 4.340 -0.009 0.000 0.210 200 L C 2.532 179.213 176.870 -0.314 0.000 1.081 200 L CA 1.579 56.219 54.840 -0.333 0.000 0.752 200 L CB -0.778 41.049 42.059 -0.386 0.000 0.896 200 L HN -0.056 nan 8.230 nan 0.000 0.433 201 K N -0.306 119.959 120.400 -0.225 0.000 2.148 201 K HA -0.132 4.183 4.320 -0.009 0.000 0.204 201 K C 0.880 177.358 176.600 -0.204 0.000 1.050 201 K CA 1.072 57.254 56.287 -0.175 0.000 0.942 201 K CB -0.022 32.411 32.500 -0.111 0.000 0.724 201 K HN 0.279 nan 8.250 nan 0.000 0.446 202 D N -0.202 120.038 120.400 -0.268 0.000 2.325 202 D HA 0.034 4.669 4.640 -0.009 0.000 0.225 202 D C -0.305 175.757 176.300 -0.397 0.000 1.096 202 D CA 0.396 54.235 54.000 -0.269 0.000 0.844 202 D CB 0.704 41.384 40.800 -0.201 0.000 0.925 202 D HN -0.147 nan 8.370 nan 0.000 0.513 203 S N 0.752 116.148 115.700 -0.506 0.000 2.399 203 S HA 0.184 4.649 4.470 -0.009 0.000 0.198 203 S C -2.059 172.330 174.600 -0.352 0.000 1.294 203 S CA -0.788 57.075 58.200 -0.562 0.000 1.237 203 S CB 1.528 64.038 63.200 -1.150 0.000 1.286 203 S HN 0.032 nan 8.310 nan 0.000 0.404 204 P HA -0.037 nan 4.420 nan 0.000 0.233 204 P C 0.779 178.017 177.300 -0.103 0.000 1.167 204 P CA 0.735 63.748 63.100 -0.145 0.000 0.770 204 P CB 0.006 31.641 31.700 -0.108 0.000 0.837 205 Q N -1.232 118.506 119.800 -0.104 0.000 2.444 205 Q HA 0.080 4.415 4.340 -0.009 0.000 0.206 205 Q C 0.291 176.273 176.000 -0.030 0.000 0.948 205 Q CA 0.640 56.410 55.803 -0.055 0.000 0.946 205 Q CB -1.159 27.552 28.738 -0.045 0.000 1.027 205 Q HN 0.061 nan 8.270 nan 0.000 0.513 206 T N 1.543 116.062 114.554 -0.058 0.000 2.771 206 T HA 0.138 4.483 4.350 -0.009 0.000 0.291 206 T C 0.014 174.736 174.700 0.037 0.000 0.954 206 T CA -0.529 61.572 62.100 0.002 0.000 1.045 206 T CB 1.068 69.916 68.868 -0.034 0.000 0.917 206 T HN 0.111 nan 8.240 nan 0.000 0.484 207 D N 1.668 122.124 120.400 0.094 0.000 2.323 207 D HA 0.093 4.728 4.640 -0.009 0.000 0.218 207 D C 0.367 176.733 176.300 0.109 0.000 0.973 207 D CA 0.672 54.734 54.000 0.104 0.000 0.890 207 D CB 0.645 41.521 40.800 0.126 0.000 1.011 207 D HN 0.265 nan 8.370 nan 0.000 0.499 208 V N 2.150 122.121 119.914 0.095 0.000 2.444 208 V HA 0.216 4.331 4.120 -0.009 0.000 0.294 208 V C -0.037 176.012 176.094 -0.075 0.000 1.022 208 V CA -0.776 61.499 62.300 -0.042 0.000 0.850 208 V CB 2.445 34.064 31.823 -0.341 0.000 0.992 208 V HN -0.214 nan 8.190 nan 0.000 0.426 209 V N 5.611 125.493 119.914 -0.053 0.000 2.389 209 V HA 0.341 4.456 4.120 -0.009 0.000 0.264 209 V C 0.680 176.549 176.094 -0.376 0.000 1.049 209 V CA -0.383 61.792 62.300 -0.207 0.000 0.932 209 V CB 0.765 32.438 31.823 -0.251 0.000 1.011 209 V HN 0.804 nan 8.190 nan 0.000 0.475 210 R N 5.143 125.415 120.500 -0.379 0.000 2.593 210 R HA 0.305 4.640 4.340 -0.009 0.000 0.282 210 R C -0.887 175.201 176.300 -0.352 0.000 1.300 210 R CA -0.503 55.422 56.100 -0.291 0.000 1.221 210 R CB -0.011 30.169 30.300 -0.199 0.000 1.157 210 R HN 0.534 nan 8.270 nan 0.000 0.555 211 F N 2.228 122.019 119.950 -0.264 0.000 2.533 211 F HA 0.071 4.593 4.527 -0.009 0.000 0.378 211 F C 0.746 176.342 175.800 -0.341 0.000 1.070 211 F CA 0.526 58.264 58.000 -0.437 0.000 1.172 211 F CB 1.272 39.749 39.000 -0.872 0.000 1.085 211 F HN 0.265 nan 8.300 nan 0.000 0.552 212 T N 2.006 116.537 114.554 -0.039 0.000 3.401 212 T HA 0.285 4.630 4.350 -0.009 0.000 0.341 212 T C 0.419 175.229 174.700 0.184 0.000 1.674 212 T CA -0.407 61.771 62.100 0.131 0.000 1.600 212 T CB 0.565 69.517 68.868 0.140 0.000 0.974 212 T HN 0.603 nan 8.240 nan 0.000 0.672 213 T N 0.007 114.582 114.554 0.036 0.000 2.614 213 T HA 0.510 4.855 4.350 -0.009 0.000 0.163 213 T C 0.026 174.361 174.700 -0.607 0.000 0.806 213 T CA -0.012 61.976 62.100 -0.185 0.000 1.020 213 T CB 0.162 69.050 68.868 0.033 0.000 2.539 213 T HN 0.206 nan 8.240 nan 0.000 0.380 214 F N -0.618 119.206 119.950 -0.210 0.000 2.126 214 F HA 0.532 5.054 4.527 -0.009 0.000 0.203 214 F C 1.121 176.502 175.800 -0.699 0.000 1.230 214 F CA -0.534 57.015 58.000 -0.753 0.000 1.271 214 F CB -0.177 38.219 39.000 -1.007 0.000 1.758 214 F HN 0.171 nan 8.300 nan 0.000 0.304 215 F N -2.137 117.877 119.950 0.107 0.000 2.637 215 F HA 0.276 4.798 4.527 -0.009 0.000 0.284 215 F C -0.589 174.914 175.800 -0.494 0.000 1.105 215 F CA -0.604 57.258 58.000 -0.230 0.000 1.356 215 F CB -0.242 38.561 39.000 -0.328 0.000 1.096 215 F HN -0.129 nan 8.300 nan 0.000 0.616 216 Y N 0.999 121.459 120.300 0.266 0.000 2.350 216 Y HA 0.532 5.077 4.550 -0.009 0.000 0.338 216 Y C 0.003 175.959 175.900 0.094 0.000 0.961 216 Y CA -1.787 56.414 58.100 0.170 0.000 1.100 216 Y CB 1.224 39.786 38.460 0.169 0.000 1.179 216 Y HN -0.179 nan 8.280 nan 0.000 0.454 217 Q N 3.760 123.676 119.800 0.192 0.000 2.288 217 Q HA 0.323 4.657 4.340 -0.009 0.000 0.254 217 Q C -0.737 175.291 176.000 0.046 0.000 0.932 217 Q CA -0.642 55.188 55.803 0.046 0.000 0.902 217 Q CB 0.357 29.050 28.738 -0.075 0.000 1.203 217 Q HN 0.474 nan 8.270 nan 0.000 0.415 218 F N 0.596 120.600 119.950 0.090 0.000 2.545 218 F HA 0.312 4.834 4.527 -0.009 0.000 0.348 218 F C 0.301 176.150 175.800 0.080 0.000 1.163 218 F CA -0.829 57.202 58.000 0.052 0.000 1.331 218 F CB -0.257 38.783 39.000 0.067 0.000 1.138 218 F HN 0.414 nan 8.300 nan 0.000 0.602 219 T N 4.754 119.479 114.554 0.285 0.000 2.704 219 T HA 0.218 4.563 4.350 -0.009 0.000 0.271 219 T C -0.386 174.410 174.700 0.160 0.000 1.000 219 T CA 0.379 62.584 62.100 0.176 0.000 1.216 219 T CB -0.324 68.658 68.868 0.189 0.000 0.961 219 T HN 0.607 nan 8.240 nan 0.000 0.515 220 L N 6.209 127.440 121.223 0.013 0.000 2.549 220 L HA 0.441 4.775 4.340 -0.009 0.000 0.260 220 L C -1.207 175.730 176.870 0.112 0.000 1.109 220 L CA -0.150 54.715 54.840 0.042 0.000 0.900 220 L CB 0.639 42.606 42.059 -0.154 0.000 1.119 220 L HN 0.536 nan 8.230 nan 0.000 0.471 221 L N 2.936 124.236 121.223 0.129 0.000 2.325 221 L HA 0.599 4.934 4.340 -0.009 0.000 0.278 221 L C -0.697 176.359 176.870 0.310 0.000 1.023 221 L CA -0.539 54.420 54.840 0.198 0.000 0.811 221 L CB 1.539 43.654 42.059 0.092 0.000 1.249 221 L HN 0.252 nan 8.230 nan 0.000 0.431 222 F N 0.372 120.388 119.950 0.110 0.000 2.523 222 F HA 0.364 4.886 4.527 -0.008 0.000 0.329 222 F C 0.336 176.221 175.800 0.141 0.000 1.061 222 F CA -0.924 57.128 58.000 0.088 0.000 0.967 222 F CB 1.547 40.593 39.000 0.077 0.000 1.218 222 F HN 0.529 nan 8.300 nan 0.000 0.480 223 D N -0.080 120.370 120.400 0.084 0.000 2.478 223 D HA 0.119 4.754 4.640 -0.009 0.000 0.263 223 D C 0.746 177.089 176.300 0.073 0.000 1.153 223 D CA -0.408 53.604 54.000 0.020 0.000 1.038 223 D CB 0.212 40.935 40.800 -0.128 0.000 1.120 223 D HN 0.565 nan 8.370 nan 0.000 0.564 224 E N -0.015 120.223 120.200 0.062 0.000 2.409 224 E HA -0.190 4.155 4.350 -0.009 0.000 0.198 224 E C 0.440 177.055 176.600 0.026 0.000 1.024 224 E CA 0.858 57.332 56.400 0.123 0.000 0.861 224 E CB -0.239 29.524 29.700 0.105 0.000 0.788 224 E HN 0.510 nan 8.360 nan 0.000 0.521 225 K N 0.556 120.918 120.400 -0.063 0.000 2.397 225 K HA 0.238 4.553 4.320 -0.009 0.000 0.202 225 K C -0.234 176.260 176.600 -0.178 0.000 1.022 225 K CA -0.188 56.046 56.287 -0.088 0.000 1.141 225 K CB 0.389 32.848 32.500 -0.068 0.000 0.857 225 K HN 0.003 nan 8.250 nan 0.000 0.514 226 R N 0.401 120.691 120.500 -0.351 0.000 3.774 226 R HA -0.167 4.167 4.340 -0.009 0.000 0.320 226 R C -0.773 175.470 176.300 -0.095 0.000 1.175 226 R CA 0.604 56.398 56.100 -0.510 0.000 0.849 226 R CB -1.818 28.214 30.300 -0.447 0.000 1.365 226 R HN 0.180 nan 8.270 nan 0.000 0.502 227 R N 0.873 121.267 120.500 -0.176 0.000 2.732 227 R HA 0.291 4.626 4.340 -0.009 0.000 0.278 227 R C -0.073 175.620 176.300 -1.012 0.000 0.976 227 R CA -1.035 54.843 56.100 -0.370 0.000 0.963 227 R CB 1.138 31.281 30.300 -0.261 0.000 1.150 227 R HN 0.109 nan 8.270 nan 0.000 0.478 228 E N 2.213 121.515 120.200 -1.498 0.000 2.480 228 E HA -0.142 4.202 4.350 -0.009 0.000 0.258 228 E C 0.104 176.337 176.600 -0.612 0.000 0.984 228 E CA 0.501 56.042 56.400 -1.433 0.000 0.930 228 E CB 0.728 29.953 29.700 -0.791 0.000 0.936 228 E HN 0.471 nan 8.360 nan 0.000 0.466 229 K N 2.997 123.148 120.400 -0.415 0.000 2.286 229 K HA 0.122 4.437 4.320 -0.009 0.000 0.203 229 K C -0.384 176.112 176.600 -0.173 0.000 1.078 229 K CA 0.297 56.447 56.287 -0.229 0.000 0.957 229 K CB 0.804 33.212 32.500 -0.153 0.000 1.018 229 K HN 0.350 nan 8.250 nan 0.000 0.484 230 V N 1.587 121.409 119.914 -0.155 0.000 2.686 230 V HA 0.466 4.581 4.120 -0.009 0.000 0.306 230 V C -1.309 174.752 176.094 -0.055 0.000 1.065 230 V CA -0.954 61.254 62.300 -0.154 0.000 0.894 230 V CB 1.703 33.295 31.823 -0.384 0.000 1.004 230 V HN -0.016 nan 8.190 nan 0.000 0.424 231 V N 3.223 123.147 119.914 0.017 0.000 2.733 231 V HA 0.780 4.895 4.120 -0.009 0.000 0.306 231 V C -1.979 174.230 176.094 0.192 0.000 1.084 231 V CA -0.139 62.246 62.300 0.141 0.000 0.905 231 V CB 2.222 34.132 31.823 0.144 0.000 1.010 231 V HN 1.027 nan 8.190 nan 0.000 0.424 232 D N 4.358 124.933 120.400 0.292 0.000 2.763 232 D HA 0.170 4.805 4.640 -0.009 0.000 0.235 232 D C 0.008 176.458 176.300 0.251 0.000 1.334 232 D CA -0.439 53.733 54.000 0.287 0.000 0.950 232 D CB 1.373 42.359 40.800 0.309 0.000 1.433 232 D HN 0.551 nan 8.370 nan 0.000 0.580 233 W N 4.022 125.153 121.300 -0.282 0.000 2.392 233 W HA -0.053 4.602 4.660 -0.009 0.000 0.279 233 W C 0.775 177.044 176.519 -0.416 0.000 1.225 233 W CA 1.014 57.900 57.345 -0.766 0.000 1.233 233 W CB -0.162 28.707 29.460 -0.985 0.000 1.122 233 W HN 0.417 nan 8.180 nan 0.000 0.561 234 F N -0.461 119.573 119.950 0.141 0.000 2.721 234 F HA 0.403 4.925 4.527 -0.009 0.000 0.301 234 F C 1.771 177.512 175.800 -0.098 0.000 1.096 234 F CA 0.051 57.989 58.000 -0.103 0.000 1.308 234 F CB -1.029 37.903 39.000 -0.114 0.000 1.086 234 F HN -0.252 nan 8.300 nan 0.000 0.587 235 G N -0.440 108.482 108.800 0.203 0.000 2.441 235 G HA2 0.156 4.111 3.960 -0.009 0.000 0.243 235 G HA3 0.156 4.111 3.960 -0.009 0.000 0.243 235 G C 0.202 175.203 174.900 0.168 0.000 1.281 235 G CA -0.304 44.925 45.100 0.214 0.000 0.854 235 G HN 0.383 nan 8.290 nan 0.000 0.560 236 C N 2.474 121.894 119.300 0.199 0.000 2.614 236 C HA 0.357 4.811 4.460 -0.009 0.000 0.299 236 C C 2.615 177.755 174.990 0.250 0.000 1.293 236 C CA 0.000 59.164 59.018 0.242 0.000 1.713 236 C CB -1.216 26.749 27.740 0.374 0.000 1.890 236 C HN 0.879 nan 8.230 nan 0.000 0.602 237 A N -0.361 122.586 122.820 0.212 0.000 1.908 237 A HA -0.218 4.097 4.320 -0.009 0.000 0.218 237 A C 1.468 179.077 177.584 0.042 0.000 1.181 237 A CA 1.752 53.888 52.037 0.166 0.000 0.627 237 A CB -0.672 18.430 19.000 0.170 0.000 0.818 237 A HN 0.639 nan 8.150 nan 0.000 0.445 238 C N 0.690 120.032 119.300 0.069 0.000 2.687 238 C HA 0.439 4.894 4.460 -0.009 0.000 0.465 238 C C 1.537 176.596 174.990 0.115 0.000 1.304 238 C CA 0.411 59.463 59.018 0.057 0.000 1.620 238 C CB -1.869 25.915 27.740 0.073 0.000 2.212 238 C HN 0.692 nan 8.230 nan 0.000 0.616 239 T N -3.727 110.835 114.554 0.012 0.000 3.328 239 T HA 0.244 4.589 4.350 -0.009 0.000 0.305 239 T C 0.016 174.699 174.700 -0.028 0.000 0.939 239 T CA 0.049 62.073 62.100 -0.125 0.000 0.950 239 T CB -0.543 68.215 68.868 -0.184 0.000 1.182 239 T HN 0.306 nan 8.240 nan 0.000 0.545 240 V N 0.158 119.994 119.914 -0.130 0.000 3.096 240 V HA 1.031 5.146 4.120 -0.009 0.000 0.319 240 V C -0.317 175.677 176.094 -0.168 0.000 1.082 240 V CA -0.420 61.741 62.300 -0.231 0.000 1.022 240 V CB 1.447 32.836 31.823 -0.724 0.000 1.103 240 V HN 0.830 nan 8.190 nan 0.000 0.455 241 S N 0.053 115.661 115.700 -0.153 0.000 2.578 241 S HA 0.578 5.043 4.470 -0.009 0.000 0.272 241 S C -2.603 171.946 174.600 -0.084 0.000 1.145 241 S CA -0.662 57.489 58.200 -0.081 0.000 0.835 241 S CB 1.246 64.510 63.200 0.105 0.000 1.104 241 S HN 0.466 nan 8.310 nan 0.000 0.458 242 P HA -0.093 nan 4.420 nan 0.000 0.215 242 P C 1.649 179.029 177.300 0.134 0.000 1.157 242 P CA 1.223 64.200 63.100 -0.205 0.000 0.874 242 P CB 0.008 31.427 31.700 -0.469 0.000 0.790 243 R N 0.385 121.000 120.500 0.191 0.000 2.073 243 R HA -0.057 4.278 4.340 -0.009 0.000 0.234 243 R C 2.131 178.607 176.300 0.293 0.000 1.134 243 R CA 2.114 58.387 56.100 0.287 0.000 0.952 243 R CB -1.617 28.909 30.300 0.377 0.000 0.850 243 R HN 0.081 nan 8.270 nan 0.000 0.433 244 A N 0.008 122.886 122.820 0.097 0.000 2.015 244 A HA -0.031 4.284 4.320 -0.009 0.000 0.219 244 A C 2.241 179.975 177.584 0.250 0.000 1.163 244 A CA 1.208 53.189 52.037 -0.092 0.000 0.646 244 A CB -0.469 18.083 19.000 -0.748 0.000 0.806 244 A HN 0.349 nan 8.150 nan 0.000 0.448 245 L N -0.612 120.745 121.223 0.223 0.000 2.109 245 L HA -0.142 4.193 4.340 -0.009 0.000 0.207 245 L C 1.877 178.893 176.870 0.244 0.000 1.086 245 L CA 1.216 56.193 54.840 0.228 0.000 0.760 245 L CB -0.432 41.745 42.059 0.198 0.000 0.910 245 L HN 0.280 nan 8.230 nan 0.000 0.437 246 D N -0.227 120.331 120.400 0.262 0.000 2.149 246 D HA -0.148 4.487 4.640 -0.009 0.000 0.201 246 D C 1.725 178.145 176.300 0.200 0.000 0.972 246 D CA 0.970 55.103 54.000 0.222 0.000 0.835 246 D CB -0.172 40.768 40.800 0.233 0.000 0.966 246 D HN 0.254 nan 8.370 nan 0.000 0.476 247 D N 0.330 120.880 120.400 0.250 0.000 2.123 247 D HA -0.166 4.469 4.640 -0.009 0.000 0.196 247 D C 1.848 178.221 176.300 0.121 0.000 0.992 247 D CA 0.454 54.609 54.000 0.259 0.000 0.833 247 D CB -0.609 40.476 40.800 0.474 0.000 0.954 247 D HN 0.215 nan 8.370 nan 0.000 0.455 248 F N 1.699 121.516 119.950 -0.221 0.000 2.095 248 F HA -0.230 4.292 4.527 -0.009 0.000 0.298 248 F C 2.360 178.087 175.800 -0.121 0.000 1.104 248 F CA 2.010 59.712 58.000 -0.497 0.000 1.232 248 F CB -0.026 38.658 39.000 -0.527 0.000 0.987 248 F HN -0.070 nan 8.300 nan 0.000 0.475 249 E N 0.348 120.654 120.200 0.176 0.000 2.051 249 E HA -0.222 4.122 4.350 -0.009 0.000 0.192 249 E C 2.250 178.852 176.600 0.003 0.000 0.991 249 E CA 1.162 57.624 56.400 0.103 0.000 0.799 249 E CB -0.424 29.349 29.700 0.123 0.000 0.748 249 E HN 0.458 nan 8.360 nan 0.000 0.449 250 A N 1.286 124.119 122.820 0.022 0.000 1.933 250 A HA -0.212 4.103 4.320 -0.009 0.000 0.218 250 A C 2.158 179.709 177.584 -0.055 0.000 1.175 250 A CA 1.772 53.813 52.037 0.008 0.000 0.628 250 A CB -0.483 18.542 19.000 0.042 0.000 0.814 250 A HN 0.243 nan 8.150 nan 0.000 0.444 251 K N -2.139 118.192 120.400 -0.114 0.000 2.116 251 K HA -0.060 4.255 4.320 -0.009 0.000 0.203 251 K C 1.275 177.597 176.600 -0.464 0.000 1.052 251 K CA 1.224 57.359 56.287 -0.253 0.000 0.952 251 K CB -0.134 32.224 32.500 -0.236 0.000 0.729 251 K HN 0.569 nan 8.250 nan 0.000 0.446 252 Y N -0.675 119.350 120.300 -0.459 0.000 2.462 252 Y HA 0.206 4.751 4.550 -0.009 0.000 0.261 252 Y C 1.144 177.003 175.900 -0.068 0.000 1.146 252 Y CA 0.408 58.260 58.100 -0.413 0.000 1.283 252 Y CB 1.230 39.069 38.460 -1.035 0.000 1.090 252 Y HN 0.308 nan 8.280 nan 0.000 0.526 253 G N 0.450 109.275 108.800 0.042 0.000 2.160 253 G HA2 -0.322 3.633 3.960 -0.009 0.000 0.251 253 G HA3 -0.322 3.633 3.960 -0.009 0.000 0.251 253 G C -0.369 174.699 174.900 0.280 0.000 1.008 253 G CA 0.541 45.720 45.100 0.131 0.000 0.724 253 G HN 0.578 nan 8.290 nan 0.000 0.514 254 Y N -3.054 117.319 120.300 0.123 0.000 2.565 254 Y HA 0.753 5.298 4.550 -0.009 0.000 0.330 254 Y C -0.629 175.410 175.900 0.232 0.000 1.150 254 Y CA -1.645 56.544 58.100 0.149 0.000 1.055 254 Y CB 0.878 39.418 38.460 0.135 0.000 1.337 254 Y HN 0.230 nan 8.280 nan 0.000 0.457 255 R N 3.424 124.019 120.500 0.158 0.000 2.312 255 R HA 0.600 4.935 4.340 -0.009 0.000 0.311 255 R C -1.269 175.050 176.300 0.032 0.000 1.004 255 R CA -0.733 55.407 56.100 0.067 0.000 0.902 255 R CB 0.860 31.202 30.300 0.070 0.000 1.073 255 R HN 0.917 nan 8.270 nan 0.000 0.457 256 L N 5.018 126.172 121.223 -0.114 0.000 2.410 256 L HA 0.244 4.579 4.340 -0.009 0.000 0.273 256 L C 0.752 177.575 176.870 -0.078 0.000 1.144 256 L CA 0.098 54.832 54.840 -0.176 0.000 0.863 256 L CB 0.583 42.400 42.059 -0.402 0.000 1.140 256 L HN 0.521 nan 8.230 nan 0.000 0.463 257 R N 4.154 124.601 120.500 -0.087 0.000 2.594 257 R HA 0.098 4.433 4.340 -0.009 0.000 0.272 257 R C -1.446 174.707 176.300 -0.245 0.000 1.074 257 R CA -1.487 54.545 56.100 -0.113 0.000 1.105 257 R CB 0.329 30.572 30.300 -0.096 0.000 1.008 257 R HN 0.363 nan 8.270 nan 0.000 0.472 258 P HA -0.224 nan 4.420 nan 0.000 0.217 258 P C 0.784 177.777 177.300 -0.511 0.000 1.148 258 P CA 1.200 63.735 63.100 -0.941 0.000 0.834 258 P CB 0.265 31.437 31.700 -0.881 0.000 0.783 259 E N -0.044 119.969 120.200 -0.312 0.000 2.171 259 E HA -0.203 4.142 4.350 -0.009 0.000 0.197 259 E C 1.479 177.927 176.600 -0.253 0.000 0.997 259 E CA 1.291 57.548 56.400 -0.239 0.000 0.810 259 E CB -0.975 28.627 29.700 -0.163 0.000 0.738 259 E HN 0.223 nan 8.360 nan 0.000 0.467 260 D N -1.381 118.840 120.400 -0.298 0.000 2.350 260 D HA -0.106 4.529 4.640 -0.009 0.000 0.216 260 D C 0.985 176.905 176.300 -0.635 0.000 0.968 260 D CA 0.654 54.400 54.000 -0.423 0.000 0.894 260 D CB 0.050 40.563 40.800 -0.478 0.000 0.909 260 D HN 0.274 nan 8.370 nan 0.000 0.520 261 F N -0.108 119.630 119.950 -0.352 0.000 2.399 261 F HA -0.053 4.469 4.527 -0.009 0.000 0.282 261 F C 2.376 178.021 175.800 -0.259 0.000 1.027 261 F CA 0.153 57.980 58.000 -0.288 0.000 1.333 261 F CB -0.660 38.179 39.000 -0.268 0.000 1.132 261 F HN -0.202 nan 8.300 nan 0.000 0.590 262 V N -2.044 117.748 119.914 -0.203 0.000 2.809 262 V HA -0.071 4.044 4.120 -0.009 0.000 0.256 262 V C 0.633 176.452 176.094 -0.458 0.000 1.080 262 V CA 1.286 63.266 62.300 -0.534 0.000 1.102 262 V CB -0.820 30.678 31.823 -0.541 0.000 0.705 262 V HN 0.521 nan 8.190 nan 0.000 0.475 263 D N 0.796 121.036 120.400 -0.267 0.000 2.723 263 D HA -0.119 4.515 4.640 -0.009 0.000 0.236 263 D C 1.209 177.418 176.300 -0.152 0.000 1.138 263 D CA 1.511 55.407 54.000 -0.173 0.000 0.676 263 D CB -1.548 39.191 40.800 -0.102 0.000 1.069 263 D HN 1.557 nan 8.370 nan 0.000 0.430 264 G N -1.159 107.538 108.800 -0.172 0.000 2.166 264 G HA2 -0.010 3.945 3.960 -0.009 0.000 0.260 264 G HA3 -0.010 3.945 3.960 -0.009 0.000 0.260 264 G C 1.403 176.235 174.900 -0.113 0.000 0.986 264 G CA 0.938 45.965 45.100 -0.123 0.000 0.683 264 G HN 1.754 nan 8.290 nan 0.000 0.527 265 G N -2.055 106.626 108.800 -0.198 0.000 2.201 265 G HA2 0.194 4.149 3.960 -0.009 0.000 0.212 265 G HA3 0.194 4.149 3.960 -0.009 0.000 0.212 265 G C 1.266 176.189 174.900 0.039 0.000 0.994 265 G CA 1.130 46.160 45.100 -0.117 0.000 0.644 265 G HN 1.941 nan 8.290 nan 0.000 0.508 266 A N -0.435 122.387 122.820 0.004 0.000 2.072 266 A HA 0.505 4.820 4.320 -0.009 0.000 0.216 266 A C 1.363 179.105 177.584 0.263 0.000 1.156 266 A CA 1.559 53.676 52.037 0.135 0.000 0.701 266 A CB -0.388 18.664 19.000 0.087 0.000 0.816 266 A HN 1.392 nan 8.150 nan 0.000 0.458 267 Y N -0.779 119.558 120.300 0.062 0.000 3.721 267 Y HA -0.278 4.267 4.550 -0.009 0.000 0.218 267 Y C 0.638 176.600 175.900 0.104 0.000 1.188 267 Y CA 0.705 58.854 58.100 0.082 0.000 1.607 267 Y CB -2.376 36.144 38.460 0.101 0.000 1.496 267 Y HN 0.579 nan 8.280 nan 0.000 0.626 268 N N -1.602 117.204 118.700 0.177 0.000 2.754 268 N HA -0.198 4.536 4.740 -0.009 0.000 0.248 268 N C 0.160 175.824 175.510 0.256 0.000 1.093 268 N CA 1.075 54.227 53.050 0.170 0.000 0.699 268 N CB -1.145 37.414 38.487 0.121 0.000 1.016 268 N HN 0.519 nan 8.380 nan 0.000 0.552 269 S N -0.380 115.492 115.700 0.286 0.000 2.810 269 S HA 0.087 4.552 4.470 -0.009 0.000 0.329 269 S C 1.785 176.637 174.600 0.420 0.000 1.231 269 S CA 0.536 58.956 58.200 0.366 0.000 1.042 269 S CB 0.459 63.867 63.200 0.347 0.000 0.756 269 S HN 0.471 nan 8.310 nan 0.000 0.504 270 A N 5.153 128.252 122.820 0.465 0.000 2.093 270 A HA -0.156 4.159 4.320 -0.009 0.000 0.222 270 A C 1.516 179.327 177.584 0.377 0.000 1.162 270 A CA 1.838 54.095 52.037 0.367 0.000 0.655 270 A CB -0.763 18.317 19.000 0.135 0.000 0.805 270 A HN 0.990 nan 8.150 nan 0.000 0.461 271 W N 0.127 121.582 121.300 0.258 0.000 2.518 271 W HA 0.098 4.753 4.660 -0.009 0.000 0.273 271 W C 1.076 177.594 176.519 -0.002 0.000 1.247 271 W CA 0.203 57.644 57.345 0.160 0.000 1.288 271 W CB 0.073 29.741 29.460 0.347 0.000 1.107 271 W HN 0.072 nan 8.180 nan 0.000 0.586 272 R N 1.010 121.670 120.500 0.268 0.000 2.590 272 R HA 0.108 4.443 4.340 -0.009 0.000 0.274 272 R C -0.113 176.163 176.300 -0.040 0.000 1.061 272 R CA -0.223 55.948 56.100 0.118 0.000 1.081 272 R CB 0.464 30.833 30.300 0.115 0.000 0.984 272 R HN -0.253 nan 8.270 nan 0.000 0.448 273 V N 5.784 125.634 119.914 -0.106 0.000 2.475 273 V HA -0.011 4.104 4.120 -0.009 0.000 0.292 273 V C -1.723 174.215 176.094 -0.261 0.000 1.003 273 V CA -0.836 61.325 62.300 -0.231 0.000 1.120 273 V CB -0.048 31.662 31.823 -0.188 0.000 0.937 273 V HN 0.591 nan 8.190 nan 0.000 0.476 274 P HA 0.185 nan 4.420 nan 0.000 0.264 274 P C -0.140 177.005 177.300 -0.258 0.000 1.193 274 P CA 0.141 62.992 63.100 -0.414 0.000 0.763 274 P CB 0.470 31.657 31.700 -0.853 0.000 0.810 275 R N 2.031 122.437 120.500 -0.155 0.000 2.500 275 R HA 0.223 4.557 4.340 -0.009 0.000 0.277 275 R C 1.651 177.896 176.300 -0.093 0.000 1.026 275 R CA -0.779 55.246 56.100 -0.126 0.000 1.058 275 R CB 0.863 31.099 30.300 -0.107 0.000 1.078 275 R HN 0.435 nan 8.270 nan 0.000 0.509 276 K N 1.768 122.118 120.400 -0.082 0.000 2.074 276 K HA -0.235 4.080 4.320 -0.009 0.000 0.209 276 K C 1.626 178.250 176.600 0.040 0.000 1.048 276 K CA 2.049 58.316 56.287 -0.033 0.000 0.926 276 K CB -0.126 32.339 32.500 -0.059 0.000 0.713 276 K HN 0.703 nan 8.250 nan 0.000 0.444 277 A N 0.976 123.811 122.820 0.025 0.000 1.972 277 A HA -0.198 4.117 4.320 -0.009 0.000 0.219 277 A C 1.978 179.553 177.584 -0.016 0.000 1.169 277 A CA 1.416 53.492 52.037 0.066 0.000 0.635 277 A CB -0.382 18.609 19.000 -0.016 0.000 0.810 277 A HN 0.503 nan 8.150 nan 0.000 0.446 278 Q N -0.658 119.124 119.800 -0.030 0.000 2.046 278 Q HA -0.134 4.200 4.340 -0.009 0.000 0.200 278 Q C 2.346 178.438 176.000 0.153 0.000 0.975 278 Q CA 1.507 57.334 55.803 0.041 0.000 0.836 278 Q CB -0.172 28.615 28.738 0.081 0.000 0.896 278 Q HN 0.619 nan 8.270 nan 0.000 0.428 279 R N 0.504 121.078 120.500 0.123 0.000 2.092 279 R HA -0.121 4.214 4.340 -0.009 0.000 0.231 279 R C 1.638 178.047 176.300 0.182 0.000 1.119 279 R CA 1.295 57.485 56.100 0.151 0.000 0.970 279 R CB -0.115 30.238 30.300 0.089 0.000 0.864 279 R HN 0.275 nan 8.270 nan 0.000 0.440 280 D N -0.131 120.384 120.400 0.193 0.000 2.117 280 D HA -0.215 4.419 4.640 -0.009 0.000 0.197 280 D C 1.466 177.894 176.300 0.215 0.000 0.987 280 D CA 0.796 54.904 54.000 0.180 0.000 0.829 280 D CB -0.269 40.644 40.800 0.189 0.000 0.961 280 D HN 0.342 nan 8.370 nan 0.000 0.460 281 W N 1.299 122.632 121.300 0.056 0.000 2.409 281 W HA -0.090 4.565 4.660 -0.009 0.000 0.299 281 W C 1.974 178.601 176.519 0.180 0.000 1.203 281 W CA 0.572 57.971 57.345 0.090 0.000 1.298 281 W CB -0.282 29.110 29.460 -0.113 0.000 1.127 281 W HN -0.080 nan 8.180 nan 0.000 0.528 282 I N 1.019 121.705 120.570 0.193 0.000 2.151 282 I HA -0.381 3.784 4.170 -0.009 0.000 0.243 282 I C 2.122 178.262 176.117 0.039 0.000 1.080 282 I CA 1.951 63.301 61.300 0.084 0.000 1.339 282 I CB -0.708 37.372 38.000 0.134 0.000 1.039 282 I HN -0.139 nan 8.210 nan 0.000 0.409 283 D N 0.413 120.887 120.400 0.123 0.000 2.097 283 D HA -0.211 4.424 4.640 -0.009 0.000 0.195 283 D C 1.903 178.304 176.300 0.167 0.000 0.989 283 D CA 1.234 55.327 54.000 0.156 0.000 0.827 283 D CB -0.442 40.504 40.800 0.242 0.000 0.966 283 D HN 0.239 nan 8.370 nan 0.000 0.456 284 F N 1.214 121.185 119.950 0.036 0.000 2.069 284 F HA -0.197 4.324 4.527 -0.009 0.000 0.298 284 F C 2.151 177.860 175.800 -0.153 0.000 1.113 284 F CA 1.057 59.056 58.000 -0.001 0.000 1.214 284 F CB -0.588 38.369 39.000 -0.072 0.000 0.978 284 F HN -0.074 nan 8.300 nan 0.000 0.474 285 L N -0.457 120.491 121.223 -0.458 0.000 2.141 285 L HA -0.148 4.187 4.340 -0.009 0.000 0.209 285 L C 2.537 179.323 176.870 -0.139 0.000 1.094 285 L CA 1.792 56.346 54.840 -0.477 0.000 0.763 285 L CB -0.948 40.785 42.059 -0.543 0.000 0.908 285 L HN 0.157 nan 8.230 nan 0.000 0.437 286 S N -0.642 115.008 115.700 -0.082 0.000 2.356 286 S HA -0.122 4.343 4.470 -0.009 0.000 0.223 286 S C 1.906 176.501 174.600 -0.008 0.000 1.032 286 S CA 1.135 59.327 58.200 -0.013 0.000 1.005 286 S CB -0.764 62.443 63.200 0.011 0.000 0.867 286 S HN 0.685 nan 8.310 nan 0.000 0.449 287 G N 0.623 109.417 108.800 -0.010 0.000 2.446 287 G HA2 -0.253 3.702 3.960 -0.009 0.000 0.217 287 G HA3 -0.253 3.702 3.960 -0.009 0.000 0.217 287 G C 1.277 176.166 174.900 -0.019 0.000 1.168 287 G CA 0.976 46.071 45.100 -0.009 0.000 0.771 287 G HN 0.518 nan 8.290 nan 0.000 0.551 288 F N 1.144 120.990 119.950 -0.173 0.000 2.134 288 F HA -0.078 4.444 4.527 -0.009 0.000 0.299 288 F C 2.663 178.418 175.800 -0.076 0.000 1.097 288 F CA 1.539 59.452 58.000 -0.146 0.000 1.264 288 F CB -0.330 38.560 39.000 -0.182 0.000 1.001 288 F HN 0.013 nan 8.300 nan 0.000 0.479 289 V N 0.955 120.809 119.914 -0.100 0.000 2.307 289 V HA -0.245 3.870 4.120 -0.009 0.000 0.245 289 V C 2.529 178.525 176.094 -0.163 0.000 1.045 289 V CA 2.131 64.382 62.300 -0.081 0.000 1.024 289 V CB -0.625 31.311 31.823 0.188 0.000 0.651 289 V HN 0.257 nan 8.190 nan 0.000 0.449 290 R N 0.472 120.893 120.500 -0.132 0.000 2.083 290 R HA -0.227 4.107 4.340 -0.009 0.000 0.237 290 R C 2.376 178.551 176.300 -0.208 0.000 1.137 290 R CA 1.954 57.959 56.100 -0.159 0.000 0.951 290 R CB -0.499 29.748 30.300 -0.090 0.000 0.851 290 R HN 0.830 nan 8.270 nan 0.000 0.434 291 E N 0.638 120.710 120.200 -0.213 0.000 2.118 291 E HA -0.202 4.143 4.350 -0.009 0.000 0.195 291 E C 1.380 177.833 176.600 -0.244 0.000 0.992 291 E CA 1.292 57.564 56.400 -0.214 0.000 0.804 291 E CB -0.273 29.312 29.700 -0.191 0.000 0.741 291 E HN 0.340 nan 8.360 nan 0.000 0.458 292 N N 0.635 119.142 118.700 -0.321 0.000 2.354 292 N HA -0.050 4.684 4.740 -0.009 0.000 0.179 292 N C 1.967 177.470 175.510 -0.012 0.000 1.021 292 N CA 1.012 53.947 53.050 -0.192 0.000 0.887 292 N CB 0.271 38.409 38.487 -0.582 0.000 0.974 292 N HN 0.101 nan 8.380 nan 0.000 0.437 293 V N 1.874 121.671 119.914 -0.195 0.000 2.358 293 V HA -0.161 3.954 4.120 -0.009 0.000 0.246 293 V C 2.486 178.331 176.094 -0.416 0.000 1.047 293 V CA 1.334 63.280 62.300 -0.590 0.000 1.035 293 V CB -0.359 30.885 31.823 -0.965 0.000 0.658 293 V HN 0.241 nan 8.190 nan 0.000 0.452 294 K N -0.308 119.920 120.400 -0.287 0.000 2.103 294 K HA -0.263 4.052 4.320 -0.009 0.000 0.207 294 K C 2.282 178.787 176.600 -0.158 0.000 1.048 294 K CA 1.914 58.069 56.287 -0.219 0.000 0.930 294 K CB -0.061 32.334 32.500 -0.177 0.000 0.716 294 K HN 0.536 nan 8.250 nan 0.000 0.444 295 Q N 0.560 120.293 119.800 -0.112 0.000 2.083 295 Q HA -0.097 4.238 4.340 -0.009 0.000 0.198 295 Q C 2.226 178.282 176.000 0.094 0.000 0.969 295 Q CA 0.858 56.630 55.803 -0.052 0.000 0.838 295 Q CB 0.024 28.651 28.738 -0.185 0.000 0.900 295 Q HN 0.290 nan 8.270 nan 0.000 0.436 296 L N 0.314 121.614 121.223 0.127 0.000 2.021 296 L HA -0.270 4.065 4.340 -0.009 0.000 0.215 296 L C 2.560 179.418 176.870 -0.020 0.000 1.074 296 L CA 1.401 56.231 54.840 -0.015 0.000 0.760 296 L CB -0.690 41.094 42.059 -0.457 0.000 0.889 296 L HN 0.342 nan 8.230 nan 0.000 0.433 297 A N -0.438 122.264 122.820 -0.197 0.000 1.898 297 A HA -0.221 4.094 4.320 -0.009 0.000 0.216 297 A C 1.908 179.248 177.584 -0.407 0.000 1.181 297 A CA 1.920 53.776 52.037 -0.302 0.000 0.620 297 A CB -0.507 18.299 19.000 -0.323 0.000 0.819 297 A HN 0.357 nan 8.150 nan 0.000 0.442 298 D N -0.258 120.037 120.400 -0.175 0.000 2.084 298 D HA -0.156 4.478 4.640 -0.009 0.000 0.194 298 D C 2.052 178.361 176.300 0.015 0.000 0.990 298 D CA 1.588 55.555 54.000 -0.056 0.000 0.826 298 D CB -0.397 40.390 40.800 -0.022 0.000 0.971 298 D HN 0.482 nan 8.370 nan 0.000 0.453 299 M N 0.298 119.948 119.600 0.083 0.000 2.108 299 M HA -0.151 4.324 4.480 -0.009 0.000 0.261 299 M C 2.352 178.731 176.300 0.133 0.000 1.066 299 M CA 1.070 56.454 55.300 0.140 0.000 1.107 299 M CB -0.171 32.599 32.600 0.282 0.000 1.356 299 M HN -0.122 nan 8.290 nan 0.000 0.406 300 S N -0.543 115.283 115.700 0.209 0.000 2.353 300 S HA -0.201 4.264 4.470 -0.009 0.000 0.222 300 S C 1.611 176.304 174.600 0.156 0.000 1.035 300 S CA 1.495 59.817 58.200 0.204 0.000 1.025 300 S CB -0.749 62.610 63.200 0.265 0.000 0.902 300 S HN 0.572 nan 8.310 nan 0.000 0.440 301 H N 0.951 120.091 119.070 0.117 0.000 2.319 301 H HA -0.028 4.523 4.556 -0.009 0.000 0.299 301 H C 2.487 177.841 175.328 0.043 0.000 1.092 301 H CA 0.860 56.950 56.048 0.070 0.000 1.302 301 H CB -0.224 29.570 29.762 0.053 0.000 1.373 301 H HN 0.449 nan 8.280 nan 0.000 0.497 302 A N 1.116 124.032 122.820 0.160 0.000 1.978 302 A HA -0.118 4.197 4.320 -0.009 0.000 0.220 302 A C 2.271 179.881 177.584 0.043 0.000 1.170 302 A CA 1.468 53.551 52.037 0.077 0.000 0.636 302 A CB -0.607 18.422 19.000 0.047 0.000 0.810 302 A HN 0.472 nan 8.150 nan 0.000 0.448 303 A N -1.442 121.401 122.820 0.038 0.000 2.370 303 A HA 0.449 4.764 4.320 -0.009 0.000 0.238 303 A C 1.536 179.133 177.584 0.021 0.000 1.289 303 A CA 0.894 52.930 52.037 -0.001 0.000 0.885 303 A CB -1.184 17.785 19.000 -0.052 0.000 0.961 303 A HN 1.876 nan 8.150 nan 0.000 0.499 304 G N 0.114 108.950 108.800 0.059 0.000 2.273 304 G HA2 -0.260 3.695 3.960 -0.009 0.000 0.280 304 G HA3 -0.260 3.695 3.960 -0.009 0.000 0.280 304 G C -0.007 174.942 174.900 0.083 0.000 1.047 304 G CA 0.771 45.909 45.100 0.063 0.000 0.869 304 G HN 0.596 nan 8.290 nan 0.000 0.502 305 K N -0.278 120.199 120.400 0.129 0.000 2.267 305 K HA 0.467 4.782 4.320 -0.009 0.000 0.246 305 K C -0.057 176.680 176.600 0.228 0.000 0.954 305 K CA -0.850 55.524 56.287 0.145 0.000 0.824 305 K CB 2.017 34.592 32.500 0.126 0.000 1.167 305 K HN 0.294 nan 8.250 nan 0.000 0.431 306 E N 0.867 121.186 120.200 0.197 0.000 2.283 306 E HA 0.278 4.623 4.350 -0.009 0.000 0.278 306 E C -0.877 175.844 176.600 0.201 0.000 1.027 306 E CA -0.519 56.021 56.400 0.233 0.000 0.843 306 E CB 1.437 31.261 29.700 0.207 0.000 1.062 306 E HN 0.536 nan 8.360 nan 0.000 0.401 307 A N 4.329 127.289 122.820 0.232 0.000 2.260 307 A HA 0.471 4.786 4.320 -0.009 0.000 0.314 307 A C -0.532 177.159 177.584 0.178 0.000 1.257 307 A CA -0.479 51.717 52.037 0.264 0.000 0.871 307 A CB 0.443 19.579 19.000 0.227 0.000 1.166 307 A HN 0.673 nan 8.150 nan 0.000 0.522 308 M N 4.390 124.090 119.600 0.168 0.000 2.321 308 M HA 0.579 5.054 4.480 -0.009 0.000 0.315 308 M C -1.063 175.319 176.300 0.137 0.000 1.052 308 M CA -0.536 54.792 55.300 0.046 0.000 0.936 308 M CB 1.577 34.108 32.600 -0.115 0.000 1.639 308 M HN 0.825 nan 8.290 nan 0.000 0.433 309 M N 4.857 124.530 119.600 0.121 0.000 2.238 309 M HA 0.381 4.856 4.480 -0.009 0.000 0.350 309 M C -1.660 174.711 176.300 0.119 0.000 1.138 309 M CA -0.624 54.749 55.300 0.122 0.000 1.040 309 M CB 1.140 33.905 32.600 0.275 0.000 1.639 309 M HN 0.779 nan 8.290 nan 0.000 0.451 310 F N 5.901 125.808 119.950 -0.071 0.000 2.467 310 F HA 0.288 4.810 4.527 -0.009 0.000 0.362 310 F C -0.847 174.916 175.800 -0.061 0.000 1.090 310 F CA -0.642 57.318 58.000 -0.066 0.000 1.202 310 F CB 0.589 39.547 39.000 -0.070 0.000 1.113 310 F HN 0.568 nan 8.300 nan 0.000 0.541 311 L N 7.431 128.247 121.223 -0.677 0.000 2.395 311 L HA 0.580 4.915 4.340 -0.009 0.000 0.268 311 L C 0.076 176.177 176.870 -1.282 0.000 1.223 311 L CA 0.648 55.033 54.840 -0.759 0.000 1.093 311 L CB -0.780 41.006 42.059 -0.454 0.000 1.349 311 L HN 0.839 nan 8.230 nan 0.000 0.427 312 G N 1.530 109.583 108.800 -1.246 0.000 2.343 312 G HA2 0.237 4.192 3.960 -0.009 0.000 0.289 312 G HA3 0.237 4.192 3.960 -0.009 0.000 0.289 312 G C -0.723 174.135 174.900 -0.069 0.000 1.295 312 G CA -0.171 44.384 45.100 -0.908 0.000 0.869 312 G HN 0.317 nan 8.290 nan 0.000 0.522 313 D N -0.718 119.964 120.400 0.470 0.000 3.899 313 D HA -0.204 4.431 4.640 -0.009 0.000 0.146 313 D C 1.209 177.780 176.300 0.452 0.000 0.820 313 D CA 2.149 56.449 54.000 0.500 0.000 1.056 313 D CB -0.686 40.337 40.800 0.371 0.000 0.474 313 D HN 0.630 nan 8.370 nan 0.000 0.457 314 Q N 1.040 120.999 119.800 0.265 0.000 3.179 314 Q HA 0.153 4.487 4.340 -0.009 0.000 0.328 314 Q C 0.643 176.807 176.000 0.273 0.000 1.336 314 Q CA -0.141 55.785 55.803 0.205 0.000 0.939 314 Q CB -0.567 28.213 28.738 0.071 0.000 1.658 314 Q HN 0.544 nan 8.270 nan 0.000 0.486 315 W N -0.434 120.892 121.300 0.044 0.000 3.220 315 W HA 0.284 4.938 4.660 -0.009 0.000 0.328 315 W C -0.804 175.736 176.519 0.035 0.000 1.205 315 W CA -0.508 56.844 57.345 0.011 0.000 1.773 315 W CB 0.082 29.445 29.460 -0.163 0.000 1.086 315 W HN 0.021 nan 8.180 nan 0.000 0.622 316 I N 2.403 122.798 120.570 -0.292 0.000 2.648 316 I HA 0.219 4.384 4.170 -0.009 0.000 0.284 316 I C 1.722 177.796 176.117 -0.072 0.000 1.153 316 I CA 1.547 62.622 61.300 -0.375 0.000 1.426 316 I CB -0.220 37.688 38.000 -0.155 0.000 1.381 316 I HN 0.418 nan 8.210 nan 0.000 0.571 317 G N 4.360 113.074 108.800 -0.143 0.000 2.199 317 G HA2 -0.340 3.614 3.960 -0.009 0.000 0.254 317 G HA3 -0.340 3.614 3.960 -0.009 0.000 0.254 317 G C 0.921 175.824 174.900 0.006 0.000 0.982 317 G CA 0.799 45.884 45.100 -0.024 0.000 0.632 317 G HN 0.711 nan 8.290 nan 0.000 0.529 318 T N -1.985 112.573 114.554 0.007 0.000 2.894 318 T HA 0.280 4.624 4.350 -0.009 0.000 0.258 318 T C 0.838 175.614 174.700 0.127 0.000 1.043 318 T CA 1.239 63.414 62.100 0.124 0.000 1.141 318 T CB -0.064 68.962 68.868 0.262 0.000 0.873 318 T HN 0.783 nan 8.240 nan 0.000 0.449 319 E N 1.734 121.926 120.200 -0.014 0.000 2.291 319 E HA -0.108 4.237 4.350 -0.009 0.000 0.181 319 E C -1.870 174.620 176.600 -0.184 0.000 1.480 319 E CA 0.628 56.998 56.400 -0.050 0.000 0.674 319 E CB -1.171 28.525 29.700 -0.007 0.000 1.108 319 E HN 0.459 nan 8.360 nan 0.000 0.357 320 P HA -0.162 nan 4.420 nan 0.000 0.219 320 P C 0.968 177.708 177.300 -0.933 0.000 1.146 320 P CA 1.332 63.543 63.100 -1.483 0.000 0.808 320 P CB -0.012 31.037 31.700 -1.086 0.000 0.779 321 Y N -0.482 119.644 120.300 -0.290 0.000 2.468 321 Y HA 0.236 4.781 4.550 -0.008 0.000 0.268 321 Y C 1.164 177.030 175.900 -0.057 0.000 1.177 321 Y CA -0.024 57.994 58.100 -0.136 0.000 1.265 321 Y CB 0.008 38.401 38.460 -0.110 0.000 1.103 321 Y HN -0.153 nan 8.280 nan 0.000 0.522 322 K N 0.545 120.984 120.400 0.065 0.000 2.123 322 K HA 0.160 4.475 4.320 -0.009 0.000 0.259 322 K C -0.641 176.026 176.600 0.111 0.000 0.960 322 K CA -0.956 55.385 56.287 0.090 0.000 0.872 322 K CB 0.787 33.334 32.500 0.078 0.000 1.079 322 K HN -0.074 nan 8.250 nan 0.000 0.440 323 D N 0.562 121.021 120.400 0.099 0.000 2.506 323 D HA 0.016 4.650 4.640 -0.009 0.000 0.234 323 D C 1.188 177.548 176.300 0.100 0.000 1.143 323 D CA 1.556 55.613 54.000 0.095 0.000 0.871 323 D CB 0.792 41.635 40.800 0.072 0.000 1.190 323 D HN 0.821 nan 8.370 nan 0.000 0.459 324 G N 1.585 110.442 108.800 0.094 0.000 2.175 324 G HA2 -0.364 3.591 3.960 -0.009 0.000 0.244 324 G HA3 -0.364 3.591 3.960 -0.009 0.000 0.244 324 G C 0.832 175.780 174.900 0.080 0.000 0.982 324 G CA 0.267 45.406 45.100 0.066 0.000 0.641 324 G HN 0.483 nan 8.290 nan 0.000 0.527 325 F N 2.817 122.758 119.950 -0.016 0.000 2.171 325 F HA -0.032 4.490 4.527 -0.008 0.000 0.300 325 F C 2.428 178.210 175.800 -0.031 0.000 1.090 325 F CA 2.263 60.245 58.000 -0.031 0.000 1.293 325 F CB 0.012 38.988 39.000 -0.040 0.000 1.013 325 F HN 0.324 nan 8.300 nan 0.000 0.486 326 D N -0.137 120.261 120.400 -0.003 0.000 2.263 326 D HA -0.229 4.406 4.640 -0.009 0.000 0.208 326 D C 1.578 177.806 176.300 -0.120 0.000 0.971 326 D CA 1.302 55.257 54.000 -0.075 0.000 0.867 326 D CB -0.831 39.982 40.800 0.022 0.000 0.929 326 D HN 0.442 nan 8.370 nan 0.000 0.492 327 E N -0.056 120.084 120.200 -0.101 0.000 2.347 327 E HA 0.032 4.376 4.350 -0.009 0.000 0.196 327 E C 2.196 178.712 176.600 -0.140 0.000 1.008 327 E CA 0.115 56.461 56.400 -0.091 0.000 0.852 327 E CB -0.080 29.585 29.700 -0.059 0.000 0.783 327 E HN 0.353 nan 8.360 nan 0.000 0.505 328 L N -0.630 120.445 121.223 -0.246 0.000 2.131 328 L HA -0.071 4.263 4.340 -0.009 0.000 0.210 328 L C 1.654 178.403 176.870 -0.202 0.000 1.092 328 L CA 0.853 55.518 54.840 -0.291 0.000 0.759 328 L CB -0.681 41.081 42.059 -0.494 0.000 0.903 328 L HN 0.344 nan 8.230 nan 0.000 0.435 329 G N 0.693 109.397 108.800 -0.160 0.000 2.198 329 G HA2 -0.286 3.669 3.960 -0.009 0.000 0.260 329 G HA3 -0.286 3.669 3.960 -0.009 0.000 0.260 329 G C 0.152 175.073 174.900 0.035 0.000 1.025 329 G CA -0.148 44.943 45.100 -0.015 0.000 0.769 329 G HN 0.226 nan 8.290 nan 0.000 0.507 330 L N 0.139 121.290 121.223 -0.119 0.000 2.453 330 L HA 0.198 4.533 4.340 -0.009 0.000 0.272 330 L C 1.481 178.355 176.870 0.008 0.000 1.182 330 L CA -0.233 54.567 54.840 -0.066 0.000 0.858 330 L CB 0.438 42.403 42.059 -0.156 0.000 1.120 330 L HN 0.161 nan 8.230 nan 0.000 0.474 331 D N 1.955 122.395 120.400 0.067 0.000 2.137 331 D HA 0.073 4.707 4.640 -0.009 0.000 0.202 331 D C 0.370 176.552 176.300 -0.196 0.000 0.970 331 D CA 1.003 55.031 54.000 0.047 0.000 0.837 331 D CB 0.535 41.433 40.800 0.162 0.000 0.981 331 D HN 0.589 nan 8.370 nan 0.000 0.475 332 A N 0.216 122.866 122.820 -0.283 0.000 2.587 332 A HA 0.543 4.857 4.320 -0.009 0.000 0.293 332 A C -1.194 176.284 177.584 -0.176 0.000 1.087 332 A CA -0.541 51.187 52.037 -0.515 0.000 0.692 332 A CB 2.056 20.392 19.000 -1.108 0.000 1.291 332 A HN -0.083 nan 8.150 nan 0.000 0.407 333 V N 0.899 120.743 119.914 -0.117 0.000 2.495 333 V HA 0.640 4.755 4.120 -0.009 0.000 0.298 333 V C -0.448 175.643 176.094 -0.005 0.000 1.031 333 V CA -0.608 61.687 62.300 -0.008 0.000 0.871 333 V CB 1.476 33.319 31.823 0.032 0.000 0.988 333 V HN 0.914 nan 8.190 nan 0.000 0.432 334 V N 4.339 124.281 119.914 0.047 0.000 2.555 334 V HA 1.004 5.119 4.120 -0.009 0.000 0.302 334 V C 0.258 176.419 176.094 0.113 0.000 1.038 334 V CA 0.377 62.737 62.300 0.100 0.000 0.887 334 V CB 1.661 33.573 31.823 0.148 0.000 0.991 334 V HN 1.019 nan 8.190 nan 0.000 0.434 335 G N 2.920 111.753 108.800 0.055 0.000 2.680 335 G HA2 0.495 4.450 3.960 -0.009 0.000 0.290 335 G HA3 0.495 4.450 3.960 -0.009 0.000 0.290 335 G C -0.975 173.938 174.900 0.021 0.000 1.355 335 G CA -0.608 44.475 45.100 -0.028 0.000 0.903 335 G HN 0.732 nan 8.290 nan 0.000 0.474 336 S N 0.101 115.797 115.700 -0.006 0.000 2.488 336 S HA 0.271 4.736 4.470 -0.009 0.000 0.278 336 S C 0.469 175.032 174.600 -0.061 0.000 1.259 336 S CA -0.363 57.834 58.200 -0.005 0.000 1.061 336 S CB -0.093 63.107 63.200 0.000 0.000 0.910 336 S HN 0.289 nan 8.310 nan 0.000 0.491 337 I N 4.652 125.121 120.570 -0.168 0.000 2.291 337 I HA 0.227 4.391 4.170 -0.009 0.000 0.290 337 I C 1.322 177.359 176.117 -0.133 0.000 1.050 337 I CA 0.017 61.164 61.300 -0.254 0.000 1.245 337 I CB 0.454 38.079 38.000 -0.625 0.000 1.405 337 I HN 0.809 nan 8.210 nan 0.000 0.478 338 G N 5.201 113.933 108.800 -0.114 0.000 2.850 338 G HA2 0.153 4.108 3.960 -0.009 0.000 0.211 338 G HA3 0.153 4.108 3.960 -0.009 0.000 0.211 338 G C 0.095 174.953 174.900 -0.069 0.000 1.124 338 G CA 0.286 45.339 45.100 -0.079 0.000 0.769 338 G HN 0.663 nan 8.290 nan 0.000 0.535 339 D N -3.305 117.028 120.400 -0.112 0.000 3.010 339 D HA 0.242 4.877 4.640 -0.009 0.000 0.353 339 D C 1.331 177.521 176.300 -0.184 0.000 1.415 339 D CA 0.163 54.092 54.000 -0.118 0.000 0.864 339 D CB 0.074 40.815 40.800 -0.097 0.000 1.445 339 D HN -0.020 nan 8.370 nan 0.000 0.516 340 G N -0.815 107.837 108.800 -0.246 0.000 2.402 340 G HA2 -0.153 3.802 3.960 -0.009 0.000 0.216 340 G HA3 -0.153 3.802 3.960 -0.009 0.000 0.216 340 G C 1.146 175.823 174.900 -0.372 0.000 1.162 340 G CA 1.762 46.677 45.100 -0.308 0.000 0.777 340 G HN 0.509 nan 8.290 nan 0.000 0.539 341 T N 1.187 115.542 114.554 -0.332 0.000 2.777 341 T HA -0.124 4.220 4.350 -0.009 0.000 0.266 341 T C 2.805 177.365 174.700 -0.234 0.000 1.040 341 T CA 2.040 63.962 62.100 -0.297 0.000 1.141 341 T CB -0.570 68.156 68.868 -0.236 0.000 0.868 341 T HN 0.551 nan 8.240 nan 0.000 0.444 342 T N 0.367 114.802 114.554 -0.198 0.000 2.904 342 T HA -0.086 4.259 4.350 -0.009 0.000 0.267 342 T C 2.087 176.683 174.700 -0.173 0.000 1.059 342 T CA 1.395 63.387 62.100 -0.179 0.000 1.137 342 T CB -0.938 67.775 68.868 -0.257 0.000 0.879 342 T HN 0.270 nan 8.240 nan 0.000 0.467 343 T N 1.876 116.293 114.554 -0.228 0.000 2.708 343 T HA -0.034 4.311 4.350 -0.009 0.000 0.266 343 T C 2.192 176.746 174.700 -0.244 0.000 1.037 343 T CA 0.854 62.823 62.100 -0.219 0.000 1.146 343 T CB -0.185 68.556 68.868 -0.211 0.000 0.865 343 T HN 0.228 nan 8.240 nan 0.000 0.435 344 R N 0.792 121.024 120.500 -0.447 0.000 2.120 344 R HA 0.143 4.478 4.340 -0.009 0.000 0.234 344 R C 2.404 178.490 176.300 -0.356 0.000 1.123 344 R CA 0.869 56.561 56.100 -0.680 0.000 0.975 344 R CB -0.780 28.465 30.300 -1.758 0.000 0.866 344 R HN 0.477 nan 8.270 nan 0.000 0.446 345 M N -0.111 119.393 119.600 -0.161 0.000 2.106 345 M HA -0.197 4.278 4.480 -0.009 0.000 0.259 345 M C 2.108 178.510 176.300 0.171 0.000 1.068 345 M CA 1.795 57.181 55.300 0.143 0.000 1.100 345 M CB -0.298 32.383 32.600 0.136 0.000 1.351 345 M HN 0.038 nan 8.290 nan 0.000 0.404 346 I N -0.761 119.828 120.570 0.032 0.000 2.277 346 I HA -0.134 4.031 4.170 -0.009 0.000 0.243 346 I C 2.586 178.729 176.117 0.043 0.000 1.094 346 I CA 0.954 62.263 61.300 0.014 0.000 1.393 346 I CB -0.547 37.442 38.000 -0.019 0.000 1.078 346 I HN 0.190 nan 8.210 nan 0.000 0.417 347 A N 0.342 123.182 122.820 0.033 0.000 2.015 347 A HA -0.172 4.142 4.320 -0.009 0.000 0.219 347 A C 1.518 179.171 177.584 0.115 0.000 1.163 347 A CA 1.763 53.837 52.037 0.062 0.000 0.646 347 A CB -0.450 18.561 19.000 0.019 0.000 0.806 347 A HN 0.345 nan 8.150 nan 0.000 0.448 348 D N -0.637 119.880 120.400 0.195 0.000 2.349 348 D HA 0.201 4.836 4.640 -0.009 0.000 0.214 348 D C 0.140 176.586 176.300 0.245 0.000 1.063 348 D CA -0.054 54.128 54.000 0.303 0.000 0.847 348 D CB -0.041 41.061 40.800 0.505 0.000 0.933 348 D HN 0.429 nan 8.370 nan 0.000 0.513 349 I N 3.279 123.847 120.570 -0.003 0.000 2.598 349 I HA 0.086 4.251 4.170 -0.009 0.000 0.284 349 I C -1.749 174.309 176.117 -0.099 0.000 1.140 349 I CA -1.242 59.834 61.300 -0.374 0.000 1.420 349 I CB 0.536 38.282 38.000 -0.422 0.000 1.387 349 I HN -0.145 nan 8.210 nan 0.000 0.553 350 P HA 0.324 nan 4.420 nan 0.000 0.284 350 P C 0.367 177.758 177.300 0.152 0.000 1.287 350 P CA -0.302 62.838 63.100 0.067 0.000 0.824 350 P CB 1.320 33.070 31.700 0.084 0.000 1.180 351 G N -1.471 107.411 108.800 0.136 0.000 2.141 351 G HA2 -0.087 3.868 3.960 -0.009 0.000 0.242 351 G HA3 -0.087 3.868 3.960 -0.009 0.000 0.242 351 G C -0.120 174.828 174.900 0.080 0.000 0.982 351 G CA 0.122 45.298 45.100 0.126 0.000 0.662 351 G HN 0.752 nan 8.290 nan 0.000 0.527 352 V N -4.011 115.962 119.914 0.098 0.000 3.074 352 V HA 0.863 4.978 4.120 -0.009 0.000 0.314 352 V C 1.212 177.355 176.094 0.082 0.000 1.117 352 V CA -0.614 61.722 62.300 0.060 0.000 1.014 352 V CB 1.716 33.569 31.823 0.049 0.000 1.057 352 V HN -0.079 nan 8.190 nan 0.000 0.438 353 K N 0.997 121.455 120.400 0.096 0.000 2.031 353 K HA 0.122 4.437 4.320 -0.009 0.000 0.205 353 K C 0.420 177.200 176.600 0.301 0.000 1.049 353 K CA 2.055 58.464 56.287 0.203 0.000 0.939 353 K CB -0.444 32.232 32.500 0.294 0.000 0.717 353 K HN 0.930 nan 8.250 nan 0.000 0.438 354 Y N -1.327 119.035 120.300 0.104 0.000 2.677 354 Y HA 0.591 5.136 4.550 -0.009 0.000 0.334 354 Y C -0.603 175.372 175.900 0.125 0.000 1.154 354 Y CA -1.413 56.759 58.100 0.119 0.000 1.070 354 Y CB 1.121 39.652 38.460 0.118 0.000 1.294 354 Y HN -0.068 nan 8.280 nan 0.000 0.475 355 T N -1.329 113.375 114.554 0.250 0.000 2.906 355 T HA 0.648 4.993 4.350 -0.009 0.000 0.295 355 T C -1.355 173.492 174.700 0.245 0.000 1.061 355 T CA -0.764 61.422 62.100 0.144 0.000 1.000 355 T CB 2.411 71.364 68.868 0.140 0.000 1.103 355 T HN 0.922 nan 8.240 nan 0.000 0.486 356 E N 0.230 120.531 120.200 0.169 0.000 2.314 356 E HA 0.585 4.929 4.350 -0.009 0.000 0.272 356 E C -0.758 175.914 176.600 0.119 0.000 0.884 356 E CA -1.027 55.492 56.400 0.199 0.000 0.753 356 E CB 1.727 31.561 29.700 0.224 0.000 1.213 356 E HN 1.020 nan 8.360 nan 0.000 0.432 357 G N 3.071 111.942 108.800 0.118 0.000 2.368 357 G HA2 0.271 4.226 3.960 -0.009 0.000 0.320 357 G HA3 0.271 4.226 3.960 -0.009 0.000 0.320 357 G C -0.688 174.177 174.900 -0.058 0.000 1.158 357 G CA -0.587 44.471 45.100 -0.071 0.000 0.912 357 G HN 0.301 nan 8.290 nan 0.000 0.456 358 R N 3.234 123.682 120.500 -0.086 0.000 2.248 358 R HA 0.225 4.559 4.340 -0.009 0.000 0.337 358 R C -0.624 175.612 176.300 -0.108 0.000 1.106 358 R CA -0.382 55.680 56.100 -0.063 0.000 0.959 358 R CB -0.095 30.197 30.300 -0.012 0.000 1.075 358 R HN 0.421 nan 8.270 nan 0.000 0.480 359 F N 2.619 122.422 119.950 -0.245 0.000 2.373 359 F HA 0.244 4.766 4.527 -0.009 0.000 0.302 359 F C 1.091 176.945 175.800 0.090 0.000 1.247 359 F CA -0.104 57.815 58.000 -0.135 0.000 1.169 359 F CB 0.574 39.374 39.000 -0.333 0.000 1.309 359 F HN 0.181 nan 8.300 nan 0.000 0.537 360 L N 1.620 123.139 121.223 0.492 0.000 2.313 360 L HA 0.469 4.804 4.340 -0.009 0.000 0.268 360 L C -2.290 175.031 176.870 0.751 0.000 1.010 360 L CA -2.053 53.104 54.840 0.529 0.000 0.814 360 L CB 1.804 44.069 42.059 0.343 0.000 1.304 360 L HN 0.279 nan 8.230 nan 0.000 0.441 361 P HA 0.028 nan 4.420 nan 0.000 0.276 361 P C -1.081 176.633 177.300 0.690 0.000 1.252 361 P CA -0.335 63.094 63.100 0.548 0.000 0.802 361 P CB 0.577 32.511 31.700 0.389 0.000 1.035 362 Y N 1.052 121.594 120.300 0.403 0.000 2.578 362 Y HA 0.082 4.627 4.550 -0.009 0.000 0.339 362 Y C 0.306 176.545 175.900 0.565 0.000 1.231 362 Y CA -0.237 58.076 58.100 0.355 0.000 1.461 362 Y CB -0.140 38.445 38.460 0.207 0.000 1.323 362 Y HN 0.134 nan 8.280 nan 0.000 0.590 363 F N 7.589 127.311 119.950 -0.381 0.000 2.567 363 F HA 0.229 4.751 4.527 -0.009 0.000 0.352 363 F C -0.576 175.079 175.800 -0.241 0.000 1.229 363 F CA -0.667 57.035 58.000 -0.498 0.000 1.228 363 F CB -1.393 37.340 39.000 -0.444 0.000 1.568 363 F HN 0.297 nan 8.300 nan 0.000 0.634 364 F N 3.618 123.566 119.950 -0.004 0.000 2.635 364 F HA 0.415 4.937 4.527 -0.009 0.000 0.314 364 F C -2.259 173.676 175.800 0.226 0.000 1.119 364 F CA -2.212 55.901 58.000 0.189 0.000 1.000 364 F CB 1.972 41.168 39.000 0.327 0.000 1.278 364 F HN -0.103 nan 8.300 nan 0.000 0.446 365 P HA -0.169 nan 4.420 nan 0.000 0.223 365 P C 1.139 178.460 177.300 0.035 0.000 1.140 365 P CA 1.477 64.454 63.100 -0.204 0.000 0.783 365 P CB 0.106 31.561 31.700 -0.409 0.000 0.759 366 D N -0.761 119.751 120.400 0.187 0.000 2.144 366 D HA -0.121 4.514 4.640 -0.009 0.000 0.199 366 D C 1.385 177.913 176.300 0.379 0.000 0.984 366 D CA 2.035 56.259 54.000 0.374 0.000 0.834 366 D CB 0.241 41.427 40.800 0.643 0.000 0.955 366 D HN 0.224 nan 8.370 nan 0.000 0.465 367 T N -2.992 111.772 114.554 0.350 0.000 2.999 367 T HA 0.138 4.483 4.350 -0.009 0.000 0.247 367 T C 0.929 175.467 174.700 -0.270 0.000 1.012 367 T CA -0.357 61.807 62.100 0.106 0.000 1.048 367 T CB -0.390 68.487 68.868 0.014 0.000 1.020 367 T HN -0.055 nan 8.240 nan 0.000 0.478 368 F N 3.842 123.657 119.950 -0.225 0.000 2.499 368 F HA 0.460 4.982 4.527 -0.009 0.000 0.353 368 F C -0.522 175.248 175.800 -0.050 0.000 1.196 368 F CA -1.412 56.260 58.000 -0.546 0.000 1.244 368 F CB -0.132 38.487 39.000 -0.634 0.000 1.577 368 F HN 0.303 nan 8.300 nan 0.000 0.614 369 Y N -0.708 119.668 120.300 0.125 0.000 2.524 369 Y HA 0.575 5.120 4.550 -0.009 0.000 0.347 369 Y C -0.390 175.686 175.900 0.294 0.000 1.005 369 Y CA -2.353 55.877 58.100 0.216 0.000 1.025 369 Y CB 0.616 39.119 38.460 0.073 0.000 1.275 369 Y HN 0.228 nan 8.280 nan 0.000 0.460 370 E N 1.757 122.147 120.200 0.317 0.000 2.558 370 E HA 0.356 4.701 4.350 -0.009 0.000 0.255 370 E C 1.114 177.802 176.600 0.146 0.000 0.968 370 E CA 2.231 58.708 56.400 0.128 0.000 0.939 370 E CB -0.027 29.709 29.700 0.060 0.000 0.921 370 E HN 1.128 nan 8.360 nan 0.000 0.477 371 G N 3.754 112.579 108.800 0.041 0.000 2.313 371 G HA2 -0.293 3.662 3.960 -0.009 0.000 0.215 371 G HA3 -0.293 3.662 3.960 -0.009 0.000 0.215 371 G C 0.224 175.089 174.900 -0.058 0.000 1.023 371 G CA -0.000 45.121 45.100 0.035 0.000 0.626 371 G HN 0.708 nan 8.290 nan 0.000 0.503 372 N N 1.453 119.983 118.700 -0.282 0.000 2.518 372 N HA 0.495 5.230 4.740 -0.009 0.000 0.283 372 N C -1.483 173.895 175.510 -0.220 0.000 1.119 372 N CA -0.351 52.439 53.050 -0.434 0.000 0.983 372 N CB 1.447 39.242 38.487 -1.152 0.000 1.139 372 N HN 0.166 nan 8.380 nan 0.000 0.465 373 D N 3.020 123.317 120.400 -0.172 0.000 2.427 373 D HA 0.323 4.958 4.640 -0.009 0.000 0.226 373 D C -1.833 174.339 176.300 -0.215 0.000 1.076 373 D CA -2.047 51.887 54.000 -0.110 0.000 0.849 373 D CB 1.418 42.210 40.800 -0.013 0.000 1.052 373 D HN 0.385 nan 8.370 nan 0.000 0.515 374 P HA -0.058 nan 4.420 nan 0.000 0.245 374 P C 0.938 178.243 177.300 0.009 0.000 1.212 374 P CA 0.327 63.081 63.100 -0.578 0.000 0.774 374 P CB 0.190 30.848 31.700 -1.737 0.000 0.999 375 S N -0.763 115.065 115.700 0.213 0.000 2.453 375 S HA -0.055 4.410 4.470 -0.009 0.000 0.231 375 S C 1.895 176.605 174.600 0.183 0.000 1.005 375 S CA 0.355 58.742 58.200 0.312 0.000 0.949 375 S CB -1.306 62.003 63.200 0.182 0.000 0.774 375 S HN 0.045 nan 8.310 nan 0.000 0.510 376 I N 1.721 122.357 120.570 0.110 0.000 2.133 376 I HA -0.121 4.044 4.170 -0.009 0.000 0.238 376 I C 2.737 178.937 176.117 0.138 0.000 1.074 376 I CA 1.517 62.876 61.300 0.099 0.000 1.342 376 I CB -0.447 37.584 38.000 0.053 0.000 1.053 376 I HN 0.216 nan 8.210 nan 0.000 0.404 377 E N 1.164 121.438 120.200 0.124 0.000 2.049 377 E HA -0.211 4.134 4.350 -0.009 0.000 0.198 377 E C 2.259 179.031 176.600 0.286 0.000 1.007 377 E CA 1.637 58.140 56.400 0.171 0.000 0.809 377 E CB -0.795 28.978 29.700 0.122 0.000 0.749 377 E HN 0.541 nan 8.360 nan 0.000 0.450 378 G N 0.352 109.381 108.800 0.382 0.000 2.469 378 G HA2 -0.259 3.696 3.960 -0.009 0.000 0.219 378 G HA3 -0.259 3.696 3.960 -0.009 0.000 0.219 378 G C 1.526 176.659 174.900 0.388 0.000 1.150 378 G CA 0.936 46.334 45.100 0.496 0.000 0.763 378 G HN 0.159 nan 8.290 nan 0.000 0.561 379 L N -0.085 121.321 121.223 0.305 0.000 2.209 379 L HA 0.055 4.389 4.340 -0.009 0.000 0.207 379 L C 2.523 179.591 176.870 0.330 0.000 1.094 379 L CA 0.779 55.820 54.840 0.335 0.000 0.790 379 L CB -0.232 41.970 42.059 0.240 0.000 0.932 379 L HN 0.128 nan 8.230 nan 0.000 0.447 380 D N 0.594 121.146 120.400 0.253 0.000 2.087 380 D HA -0.271 4.364 4.640 -0.009 0.000 0.192 380 D C 1.844 178.286 176.300 0.238 0.000 0.993 380 D CA 1.465 55.588 54.000 0.206 0.000 0.828 380 D CB -0.181 40.716 40.800 0.163 0.000 0.968 380 D HN 0.212 nan 8.370 nan 0.000 0.448 381 N N -0.001 118.879 118.700 0.300 0.000 2.094 381 N HA -0.202 4.533 4.740 -0.009 0.000 0.191 381 N C 2.131 177.918 175.510 0.462 0.000 1.023 381 N CA 1.152 54.409 53.050 0.345 0.000 0.857 381 N CB -0.579 38.165 38.487 0.428 0.000 1.013 381 N HN 0.496 nan 8.380 nan 0.000 0.426 382 W N 1.874 123.357 121.300 0.305 0.000 2.363 382 W HA -0.144 4.511 4.660 -0.008 0.000 0.296 382 W C 2.019 178.671 176.519 0.222 0.000 1.212 382 W CA 0.592 58.110 57.345 0.288 0.000 1.260 382 W CB -0.076 29.497 29.460 0.187 0.000 1.131 382 W HN 0.129 nan 8.180 nan 0.000 0.530 383 R N 0.422 120.930 120.500 0.013 0.000 2.064 383 R HA -0.127 4.208 4.340 -0.009 0.000 0.228 383 R C 2.407 178.612 176.300 -0.158 0.000 1.144 383 R CA 1.547 57.551 56.100 -0.160 0.000 0.932 383 R CB -0.614 29.688 30.300 0.004 0.000 0.833 383 R HN 0.060 nan 8.270 nan 0.000 0.429 384 K N 0.180 120.553 120.400 -0.046 0.000 2.113 384 K HA -0.153 4.162 4.320 -0.009 0.000 0.208 384 K C 2.045 178.565 176.600 -0.132 0.000 1.047 384 K CA 1.501 57.738 56.287 -0.084 0.000 0.928 384 K CB -0.110 32.353 32.500 -0.062 0.000 0.716 384 K HN 0.180 nan 8.250 nan 0.000 0.446 385 A N 1.375 124.149 122.820 -0.077 0.000 1.898 385 A HA -0.138 4.176 4.320 -0.009 0.000 0.214 385 A C 2.095 179.567 177.584 -0.186 0.000 1.183 385 A CA 1.097 53.101 52.037 -0.056 0.000 0.622 385 A CB -0.405 18.721 19.000 0.210 0.000 0.824 385 A HN 0.226 nan 8.150 nan 0.000 0.444 386 R N 0.579 120.785 120.500 -0.491 0.000 2.094 386 R HA -0.242 4.092 4.340 -0.009 0.000 0.239 386 R C 2.458 178.547 176.300 -0.352 0.000 1.137 386 R CA 2.163 57.815 56.100 -0.747 0.000 0.943 386 R CB -0.401 29.156 30.300 -1.239 0.000 0.850 386 R HN 0.665 nan 8.270 nan 0.000 0.433 387 R N -0.230 120.107 120.500 -0.272 0.000 2.152 387 R HA -0.048 4.287 4.340 -0.009 0.000 0.232 387 R C 1.994 178.208 176.300 -0.144 0.000 1.117 387 R CA 1.445 57.443 56.100 -0.171 0.000 0.981 387 R CB -0.442 29.785 30.300 -0.122 0.000 0.870 387 R HN 0.256 nan 8.270 nan 0.000 0.451 388 A N 1.611 124.329 122.820 -0.170 0.000 1.903 388 A HA 0.073 4.388 4.320 -0.009 0.000 0.213 388 A C 2.195 179.705 177.584 -0.123 0.000 1.185 388 A CA 0.706 52.636 52.037 -0.179 0.000 0.628 388 A CB -0.286 18.561 19.000 -0.256 0.000 0.830 388 A HN 0.252 nan 8.150 nan 0.000 0.446 389 I N 0.134 120.646 120.570 -0.097 0.000 2.248 389 I HA -0.301 3.863 4.170 -0.009 0.000 0.248 389 I C 2.256 178.373 176.117 0.000 0.000 1.107 389 I CA 1.154 62.437 61.300 -0.028 0.000 1.373 389 I CB -0.302 37.703 38.000 0.008 0.000 1.055 389 I HN 0.296 nan 8.210 nan 0.000 0.418 390 L N 0.028 121.246 121.223 -0.008 0.000 2.079 390 L HA -0.217 4.118 4.340 -0.009 0.000 0.210 390 L C 2.590 179.486 176.870 0.043 0.000 1.081 390 L CA 1.151 56.036 54.840 0.074 0.000 0.752 390 L CB -0.596 41.482 42.059 0.032 0.000 0.896 390 L HN 0.246 nan 8.230 nan 0.000 0.433 391 R N -1.150 119.341 120.500 -0.016 0.000 2.161 391 R HA 0.143 4.478 4.340 -0.009 0.000 0.213 391 R C 0.715 177.028 176.300 0.022 0.000 1.055 391 R CA 0.357 56.448 56.100 -0.015 0.000 0.996 391 R CB -0.171 30.117 30.300 -0.021 0.000 0.901 391 R HN 0.123 nan 8.270 nan 0.000 0.456 392 S N 1.125 116.836 115.700 0.018 0.000 2.446 392 S HA 0.354 4.819 4.470 -0.009 0.000 0.230 392 S C -2.837 171.792 174.600 0.049 0.000 1.051 392 S CA -1.277 56.949 58.200 0.045 0.000 1.113 392 S CB 1.239 64.466 63.200 0.045 0.000 1.184 392 S HN -0.170 nan 8.310 nan 0.000 0.435 393 P HA 0.263 nan 4.420 nan 0.000 0.268 393 P C -0.432 176.958 177.300 0.151 0.000 1.205 393 P CA -0.243 62.908 63.100 0.084 0.000 0.771 393 P CB 0.167 31.890 31.700 0.039 0.000 0.858 394 I N -1.115 119.578 120.570 0.205 0.000 2.359 394 I HA 0.324 4.488 4.170 -0.009 0.000 0.294 394 I C 0.946 177.313 176.117 0.416 0.000 0.987 394 I CA -0.423 61.056 61.300 0.298 0.000 1.225 394 I CB 1.574 39.773 38.000 0.331 0.000 1.366 394 I HN 0.129 nan 8.210 nan 0.000 0.466 395 S N 4.720 120.657 115.700 0.396 0.000 2.365 395 S HA -0.097 4.368 4.470 -0.009 0.000 0.225 395 S C 0.767 175.582 174.600 0.359 0.000 1.039 395 S CA 1.206 59.612 58.200 0.343 0.000 1.033 395 S CB -0.345 63.059 63.200 0.338 0.000 0.887 395 S HN 0.727 nan 8.310 nan 0.000 0.447 396 R N -0.207 120.549 120.500 0.427 0.000 2.836 396 R HA 0.706 5.041 4.340 -0.009 0.000 0.269 396 R C -0.708 175.656 176.300 0.107 0.000 1.010 396 R CA -0.675 55.571 56.100 0.243 0.000 0.930 396 R CB 1.631 32.036 30.300 0.175 0.000 1.218 396 R HN 0.282 nan 8.270 nan 0.000 0.473 397 M N -1.199 118.168 119.600 -0.388 0.000 2.691 397 M HA 0.910 5.385 4.480 -0.009 0.000 0.293 397 M C -0.537 175.381 176.300 -0.638 0.000 1.259 397 M CA -0.716 54.318 55.300 -0.443 0.000 0.827 397 M CB 2.801 34.731 32.600 -1.118 0.000 1.753 397 M HN 0.668 nan 8.290 nan 0.000 0.465 398 G N 0.095 108.517 108.800 -0.631 0.000 2.451 398 G HA2 0.568 4.522 3.960 -0.009 0.000 0.292 398 G HA3 0.568 4.522 3.960 -0.009 0.000 0.292 398 G C -2.589 171.868 174.900 -0.739 0.000 1.427 398 G CA -0.732 43.859 45.100 -0.849 0.000 0.792 398 G HN 0.744 nan 8.290 nan 0.000 0.498 399 Y N -0.843 119.264 120.300 -0.322 0.000 2.562 399 Y HA 0.716 5.261 4.550 -0.009 0.000 0.343 399 Y C 0.872 176.557 175.900 -0.359 0.000 1.025 399 Y CA -0.221 57.690 58.100 -0.316 0.000 1.082 399 Y CB 2.505 40.588 38.460 -0.629 0.000 1.264 399 Y HN 0.815 nan 8.280 nan 0.000 0.478 400 G N -0.379 108.371 108.800 -0.083 0.000 2.441 400 G HA2 0.582 4.537 3.960 -0.009 0.000 0.334 400 G HA3 0.582 4.537 3.960 -0.009 0.000 0.334 400 G C -0.008 174.723 174.900 -0.281 0.000 1.161 400 G CA -0.117 45.009 45.100 0.043 0.000 0.935 400 G HN 1.153 nan 8.290 nan 0.000 0.488 401 G N -0.530 108.126 108.800 -0.241 0.000 2.418 401 G HA2 -0.080 3.875 3.960 -0.009 0.000 0.206 401 G HA3 -0.080 3.875 3.960 -0.009 0.000 0.206 401 G C -0.779 173.934 174.900 -0.312 0.000 1.202 401 G CA -0.563 44.206 45.100 -0.551 0.000 1.061 401 G HN 0.860 nan 8.290 nan 0.000 0.563 402 Y N 1.106 121.368 120.300 -0.063 0.000 2.585 402 Y HA 0.449 4.993 4.550 -0.009 0.000 0.354 402 Y C 1.715 177.610 175.900 -0.008 0.000 1.024 402 Y CA -0.023 58.048 58.100 -0.047 0.000 1.321 402 Y CB 0.958 39.353 38.460 -0.108 0.000 1.151 402 Y HN 0.562 nan 8.280 nan 0.000 0.525 403 L N 2.233 123.544 121.223 0.146 0.000 2.083 403 L HA -0.221 4.114 4.340 -0.009 0.000 0.209 403 L C 2.289 179.053 176.870 -0.177 0.000 1.083 403 L CA 2.101 57.028 54.840 0.145 0.000 0.752 403 L CB -0.624 41.581 42.059 0.244 0.000 0.899 403 L HN 0.723 nan 8.230 nan 0.000 0.433 404 S N -1.422 113.928 115.700 -0.584 0.000 2.419 404 S HA -0.221 4.244 4.470 -0.009 0.000 0.233 404 S C 2.044 176.447 174.600 -0.327 0.000 1.016 404 S CA 1.397 59.085 58.200 -0.853 0.000 0.974 404 S CB -0.901 61.721 63.200 -0.963 0.000 0.786 404 S HN 0.440 nan 8.310 nan 0.000 0.492 405 L N 1.088 122.158 121.223 -0.255 0.000 2.027 405 L HA 0.042 4.376 4.340 -0.009 0.000 0.206 405 L C 2.893 179.616 176.870 -0.244 0.000 1.074 405 L CA 1.452 56.161 54.840 -0.218 0.000 0.745 405 L CB -0.564 41.331 42.059 -0.272 0.000 0.898 405 L HN 0.445 nan 8.230 nan 0.000 0.433 406 A N -1.019 121.443 122.820 -0.598 0.000 2.016 406 A HA 0.036 4.351 4.320 -0.009 0.000 0.217 406 A C 2.301 179.901 177.584 0.028 0.000 1.162 406 A CA 1.019 52.636 52.037 -0.700 0.000 0.662 406 A CB -0.643 17.390 19.000 -1.612 0.000 0.812 406 A HN 0.415 nan 8.150 nan 0.000 0.450 407 A N -0.021 122.823 122.820 0.040 0.000 2.178 407 A HA -0.075 4.240 4.320 -0.009 0.000 0.218 407 A C 1.836 179.523 177.584 0.171 0.000 1.157 407 A CA 1.417 53.546 52.037 0.154 0.000 0.689 407 A CB -0.361 18.806 19.000 0.279 0.000 0.787 407 A HN 0.526 nan 8.150 nan 0.000 0.465 408 K N -1.531 118.987 120.400 0.197 0.000 2.444 408 K HA 0.140 4.455 4.320 -0.009 0.000 0.193 408 K C -0.868 175.702 176.600 -0.049 0.000 1.024 408 K CA 0.192 56.519 56.287 0.066 0.000 1.077 408 K CB 0.098 32.595 32.500 -0.005 0.000 0.833 408 K HN 0.480 nan 8.250 nan 0.000 0.517 409 F N 1.702 121.725 119.950 0.122 0.000 2.363 409 F HA 0.198 4.720 4.527 -0.009 0.000 0.366 409 F C -1.620 174.279 175.800 0.166 0.000 1.083 409 F CA -2.375 55.710 58.000 0.141 0.000 1.176 409 F CB 1.358 40.479 39.000 0.202 0.000 1.432 409 F HN -0.103 nan 8.300 nan 0.000 0.482 410 P HA -0.184 nan 4.420 nan 0.000 0.217 410 P C 1.211 178.611 177.300 0.166 0.000 1.150 410 P CA 1.497 64.687 63.100 0.150 0.000 0.832 410 P CB 0.347 32.086 31.700 0.066 0.000 0.787 411 K N -1.185 119.315 120.400 0.167 0.000 2.063 411 K HA -0.156 4.159 4.320 -0.009 0.000 0.208 411 K C 2.118 178.821 176.600 0.171 0.000 1.048 411 K CA 1.304 57.674 56.287 0.140 0.000 0.928 411 K CB -0.681 31.893 32.500 0.124 0.000 0.713 411 K HN 0.056 nan 8.250 nan 0.000 0.442 412 F N 1.188 121.210 119.950 0.121 0.000 2.146 412 F HA -0.194 4.328 4.527 -0.009 0.000 0.298 412 F C 1.919 177.800 175.800 0.135 0.000 1.096 412 F CA 0.964 59.024 58.000 0.099 0.000 1.275 412 F CB -0.234 38.835 39.000 0.115 0.000 1.008 412 F HN -0.271 nan 8.300 nan 0.000 0.480 413 V N 0.425 120.517 119.914 0.297 0.000 2.252 413 V HA -0.365 3.750 4.120 -0.009 0.000 0.249 413 V C 2.166 178.394 176.094 0.223 0.000 1.056 413 V CA 2.411 64.958 62.300 0.411 0.000 1.022 413 V CB -0.813 31.226 31.823 0.360 0.000 0.641 413 V HN 0.339 nan 8.190 nan 0.000 0.445 414 D N -0.250 120.216 120.400 0.111 0.000 2.084 414 D HA -0.159 4.476 4.640 -0.009 0.000 0.194 414 D C 2.205 178.458 176.300 -0.078 0.000 0.990 414 D CA 1.914 55.938 54.000 0.041 0.000 0.826 414 D CB -0.328 40.492 40.800 0.033 0.000 0.971 414 D HN 0.421 nan 8.370 nan 0.000 0.453 415 T N -0.310 114.159 114.554 -0.142 0.000 2.624 415 T HA -0.217 4.128 4.350 -0.009 0.000 0.266 415 T C 2.059 176.538 174.700 -0.368 0.000 1.050 415 T CA 1.830 63.793 62.100 -0.227 0.000 1.163 415 T CB -0.657 68.041 68.868 -0.282 0.000 0.861 415 T HN 0.019 nan 8.240 nan 0.000 0.443 416 V N 1.163 120.678 119.914 -0.666 0.000 2.358 416 V HA -0.176 3.939 4.120 -0.009 0.000 0.246 416 V C 2.761 178.320 176.094 -0.891 0.000 1.047 416 V CA 2.053 63.766 62.300 -0.978 0.000 1.035 416 V CB -1.219 29.573 31.823 -1.718 0.000 0.658 416 V HN 0.552 nan 8.190 nan 0.000 0.452 417 T N -0.756 113.411 114.554 -0.645 0.000 2.665 417 T HA -0.317 4.027 4.350 -0.009 0.000 0.268 417 T C 1.813 176.372 174.700 -0.235 0.000 1.035 417 T CA 2.412 64.320 62.100 -0.321 0.000 1.151 417 T CB -0.409 68.459 68.868 0.000 0.000 0.862 417 T HN 0.766 nan 8.240 nan 0.000 0.438 418 H N 1.104 120.023 119.070 -0.252 0.000 2.267 418 H HA -0.032 4.519 4.556 -0.009 0.000 0.297 418 H C 2.111 177.272 175.328 -0.278 0.000 1.080 418 H CA 1.852 57.783 56.048 -0.196 0.000 1.278 418 H CB -0.619 29.060 29.762 -0.139 0.000 1.365 418 H HN 0.320 nan 8.280 nan 0.000 0.489 419 I N 0.457 120.762 120.570 -0.442 0.000 2.113 419 I HA -0.378 3.786 4.170 -0.009 0.000 0.242 419 I C 2.716 178.417 176.117 -0.694 0.000 1.057 419 I CA 1.543 62.381 61.300 -0.769 0.000 1.314 419 I CB -0.655 36.902 38.000 -0.738 0.000 1.022 419 I HN 0.531 nan 8.210 nan 0.000 0.408 420 A N 0.371 122.882 122.820 -0.515 0.000 2.014 420 A HA -0.141 4.173 4.320 -0.009 0.000 0.218 420 A C 2.024 179.492 177.584 -0.194 0.000 1.163 420 A CA 1.426 53.251 52.037 -0.354 0.000 0.652 420 A CB -0.491 18.221 19.000 -0.480 0.000 0.808 420 A HN 0.432 nan 8.150 nan 0.000 0.449 421 N N -0.035 118.527 118.700 -0.230 0.000 2.135 421 N HA -0.144 4.591 4.740 -0.009 0.000 0.186 421 N C 1.683 177.123 175.510 -0.117 0.000 1.027 421 N CA 1.525 54.489 53.050 -0.144 0.000 0.849 421 N CB -0.516 37.891 38.487 -0.134 0.000 1.002 421 N HN 0.699 nan 8.380 nan 0.000 0.425 422 E N 0.653 120.723 120.200 -0.217 0.000 2.086 422 E HA -0.232 4.113 4.350 -0.009 0.000 0.205 422 E C 1.843 178.486 176.600 0.072 0.000 1.027 422 E CA 1.389 57.730 56.400 -0.099 0.000 0.830 422 E CB -0.481 29.084 29.700 -0.224 0.000 0.751 422 E HN 0.305 nan 8.360 nan 0.000 0.456 423 F N 0.603 120.459 119.950 -0.156 0.000 2.065 423 F HA -0.234 4.288 4.527 -0.009 0.000 0.298 423 F C 2.476 178.308 175.800 0.054 0.000 1.112 423 F CA 2.211 60.204 58.000 -0.012 0.000 1.212 423 F CB -0.086 38.804 39.000 -0.182 0.000 0.975 423 F HN -0.046 nan 8.300 nan 0.000 0.476 424 R N -0.278 120.357 120.500 0.225 0.000 2.073 424 R HA -0.154 4.180 4.340 -0.009 0.000 0.229 424 R C 1.935 178.252 176.300 0.028 0.000 1.120 424 R CA 1.536 57.717 56.100 0.135 0.000 0.967 424 R CB -0.722 29.622 30.300 0.073 0.000 0.862 424 R HN 0.302 nan 8.270 nan 0.000 0.436 425 D N 0.727 121.105 120.400 -0.037 0.000 2.127 425 D HA -0.201 4.434 4.640 -0.009 0.000 0.190 425 D C 1.692 177.856 176.300 -0.227 0.000 1.000 425 D CA 1.630 55.535 54.000 -0.159 0.000 0.839 425 D CB -0.046 40.649 40.800 -0.175 0.000 0.955 425 D HN 0.110 nan 8.370 nan 0.000 0.446 426 I N -0.211 120.308 120.570 -0.085 0.000 2.118 426 I HA -0.328 3.837 4.170 -0.009 0.000 0.241 426 I C 2.519 178.556 176.117 -0.133 0.000 1.070 426 I CA 1.455 62.728 61.300 -0.045 0.000 1.327 426 I CB -0.547 37.528 38.000 0.126 0.000 1.034 426 I HN 0.299 nan 8.210 nan 0.000 0.405 427 H N 0.810 119.794 119.070 -0.143 0.000 2.352 427 H HA -0.182 4.369 4.556 -0.009 0.000 0.299 427 H C 1.828 177.076 175.328 -0.134 0.000 1.097 427 H CA 2.072 58.053 56.048 -0.112 0.000 1.311 427 H CB 0.045 29.783 29.762 -0.040 0.000 1.377 427 H HN 0.371 nan 8.280 nan 0.000 0.504 428 D N 0.039 120.409 120.400 -0.050 0.000 2.084 428 D HA -0.103 4.532 4.640 -0.009 0.000 0.196 428 D C 2.456 178.624 176.300 -0.219 0.000 0.985 428 D CA 0.575 54.509 54.000 -0.110 0.000 0.826 428 D CB -0.112 40.622 40.800 -0.109 0.000 0.978 428 D HN 0.265 nan 8.370 nan 0.000 0.456 429 R N 0.334 120.617 120.500 -0.363 0.000 2.105 429 R HA -0.059 4.276 4.340 -0.009 0.000 0.239 429 R C 2.177 178.216 176.300 -0.435 0.000 1.135 429 R CA 1.154 56.963 56.100 -0.485 0.000 0.967 429 R CB -1.054 28.684 30.300 -0.935 0.000 0.861 429 R HN 0.237 nan 8.270 nan 0.000 0.442 430 T N -1.014 113.267 114.554 -0.455 0.000 2.937 430 T HA 0.073 4.418 4.350 -0.009 0.000 0.260 430 T C 1.313 175.844 174.700 -0.282 0.000 1.051 430 T CA 1.297 63.099 62.100 -0.498 0.000 1.141 430 T CB -0.106 68.483 68.868 -0.466 0.000 0.879 430 T HN 0.564 nan 8.240 nan 0.000 0.459 431 G N 0.812 109.471 108.800 -0.234 0.000 2.148 431 G HA2 -0.039 3.916 3.960 -0.009 0.000 0.254 431 G HA3 -0.039 3.916 3.960 -0.009 0.000 0.254 431 G C 0.997 175.765 174.900 -0.220 0.000 0.981 431 G CA 0.352 45.360 45.100 -0.153 0.000 0.670 431 G HN 1.350 nan 8.290 nan 0.000 0.528 432 G N -2.263 106.263 108.800 -0.456 0.000 2.160 432 G HA2 -0.006 3.949 3.960 -0.009 0.000 0.251 432 G HA3 -0.006 3.949 3.960 -0.009 0.000 0.251 432 G C 0.433 175.210 174.900 -0.204 0.000 1.008 432 G CA 0.711 45.436 45.100 -0.626 0.000 0.724 432 G HN 1.639 nan 8.290 nan 0.000 0.514 433 V N 0.655 120.511 119.914 -0.098 0.000 2.607 433 V HA 0.703 4.818 4.120 -0.009 0.000 0.289 433 V C 1.177 177.354 176.094 0.140 0.000 1.053 433 V CA -0.239 62.080 62.300 0.032 0.000 0.996 433 V CB 1.459 33.318 31.823 0.058 0.000 0.995 433 V HN 1.063 nan 8.190 nan 0.000 0.476 434 A N 3.651 126.541 122.820 0.116 0.000 2.425 434 A HA 0.636 4.951 4.320 -0.009 0.000 0.242 434 A C 0.710 178.337 177.584 0.072 0.000 1.077 434 A CA 0.298 52.403 52.037 0.113 0.000 0.781 434 A CB 0.081 19.118 19.000 0.061 0.000 1.020 434 A HN 1.393 nan 8.150 nan 0.000 0.494 435 A N 0.756 123.505 122.820 -0.118 0.000 2.466 435 A HA 0.412 4.726 4.320 -0.009 0.000 0.238 435 A C 0.638 178.041 177.584 -0.302 0.000 1.074 435 A CA 0.200 51.892 52.037 -0.576 0.000 0.774 435 A CB -0.060 18.548 19.000 -0.654 0.000 1.015 435 A HN 0.939 nan 8.150 nan 0.000 0.498 436 E N 1.490 121.481 120.200 -0.349 0.000 2.324 436 E HA 0.328 4.673 4.350 -0.009 0.000 0.271 436 E C 0.382 176.928 176.600 -0.090 0.000 1.028 436 E CA -0.056 56.242 56.400 -0.170 0.000 0.890 436 E CB 0.507 30.107 29.700 -0.167 0.000 1.004 436 E HN 0.673 nan 8.360 nan 0.000 0.431 437 G N 3.503 112.287 108.800 -0.027 0.000 2.372 437 G HA2 0.080 4.035 3.960 -0.009 0.000 0.283 437 G HA3 0.080 4.035 3.960 -0.009 0.000 0.283 437 G C 0.314 175.242 174.900 0.046 0.000 1.177 437 G CA -0.508 44.599 45.100 0.012 0.000 0.842 437 G HN 0.666 nan 8.290 nan 0.000 0.503 438 E N 0.944 121.192 120.200 0.081 0.000 2.400 438 E HA 0.148 4.493 4.350 -0.009 0.000 0.195 438 E C 0.653 177.259 176.600 0.009 0.000 1.012 438 E CA 0.410 56.888 56.400 0.129 0.000 0.875 438 E CB 0.496 30.395 29.700 0.332 0.000 0.859 438 E HN 0.373 nan 8.360 nan 0.000 0.498 439 L N 0.998 122.176 121.223 -0.075 0.000 2.424 439 L HA 0.373 4.708 4.340 -0.009 0.000 0.258 439 L C -0.677 176.152 176.870 -0.069 0.000 0.995 439 L CA -0.965 53.794 54.840 -0.136 0.000 0.821 439 L CB 1.968 43.829 42.059 -0.331 0.000 1.383 439 L HN -0.250 nan 8.230 nan 0.000 0.410 440 N N 1.695 120.370 118.700 -0.042 0.000 2.439 440 N HA 0.372 5.107 4.740 -0.009 0.000 0.249 440 N C -0.886 174.602 175.510 -0.038 0.000 1.003 440 N CA -0.174 52.861 53.050 -0.025 0.000 0.942 440 N CB 1.915 40.404 38.487 0.004 0.000 1.115 440 N HN 0.158 nan 8.380 nan 0.000 0.505 441 V N 1.123 120.992 119.914 -0.075 0.000 2.459 441 V HA 0.724 4.839 4.120 -0.009 0.000 0.295 441 V C 0.068 176.046 176.094 -0.194 0.000 1.029 441 V CA -0.971 61.262 62.300 -0.112 0.000 0.874 441 V CB 1.434 33.183 31.823 -0.122 0.000 0.985 441 V HN 0.677 nan 8.190 nan 0.000 0.438 442 A N 6.077 128.775 122.820 -0.203 0.000 2.318 442 A HA 0.790 5.105 4.320 -0.009 0.000 0.317 442 A C -0.614 176.760 177.584 -0.350 0.000 1.159 442 A CA -0.570 51.290 52.037 -0.296 0.000 0.799 442 A CB 0.692 19.554 19.000 -0.230 0.000 1.194 442 A HN 0.671 nan 8.150 nan 0.000 0.479 443 I N 3.353 123.601 120.570 -0.537 0.000 2.325 443 I HA 0.185 4.350 4.170 -0.009 0.000 0.291 443 I C -0.508 175.406 176.117 -0.338 0.000 1.019 443 I CA -0.260 60.757 61.300 -0.472 0.000 1.302 443 I CB 1.035 38.602 38.000 -0.721 0.000 1.401 443 I HN 0.575 nan 8.210 nan 0.000 0.485 444 L N 9.086 130.159 121.223 -0.251 0.000 2.287 444 L HA 0.470 4.805 4.340 -0.009 0.000 0.287 444 L C -0.502 176.143 176.870 -0.375 0.000 1.022 444 L CA 0.178 54.822 54.840 -0.326 0.000 0.814 444 L CB 0.654 42.572 42.059 -0.234 0.000 1.217 444 L HN 0.801 nan 8.230 nan 0.000 0.420 445 N N 1.080 119.439 118.700 -0.568 0.000 3.243 445 N HA 0.337 5.072 4.740 -0.009 0.000 0.280 445 N C -0.027 175.136 175.510 -0.578 0.000 1.545 445 N CA -0.283 52.499 53.050 -0.446 0.000 0.854 445 N CB 0.605 39.070 38.487 -0.036 0.000 1.612 445 N HN 0.169 nan 8.380 nan 0.000 0.577 446 S N -1.264 114.323 115.700 -0.189 0.000 2.402 446 S HA -0.016 4.449 4.470 -0.009 0.000 0.229 446 S C 0.735 175.104 174.600 -0.386 0.000 1.021 446 S CA 1.013 59.076 58.200 -0.229 0.000 0.974 446 S CB -0.487 62.412 63.200 -0.501 0.000 0.800 446 S HN 0.584 nan 8.310 nan 0.000 0.484 447 W N 1.278 122.460 121.300 -0.196 0.000 2.526 447 W HA 0.337 4.992 4.660 -0.009 0.000 0.294 447 W C 1.816 178.236 176.519 -0.165 0.000 1.181 447 W CA 0.613 57.849 57.345 -0.181 0.000 1.373 447 W CB -0.720 28.613 29.460 -0.212 0.000 1.112 447 W HN 0.477 nan 8.180 nan 0.000 0.545 448 G N 0.738 109.570 108.800 0.053 0.000 2.528 448 G HA2 -0.458 3.497 3.960 -0.009 0.000 0.262 448 G HA3 -0.458 3.497 3.960 -0.009 0.000 0.262 448 G C 0.855 175.743 174.900 -0.019 0.000 1.200 448 G CA 0.642 45.733 45.100 -0.015 0.000 0.951 448 G HN 0.181 nan 8.290 nan 0.000 0.566 449 K N 0.445 120.831 120.400 -0.023 0.000 2.113 449 K HA -0.158 4.157 4.320 -0.009 0.000 0.208 449 K C 2.795 179.321 176.600 -0.124 0.000 1.047 449 K CA 2.650 58.901 56.287 -0.060 0.000 0.928 449 K CB -0.340 32.171 32.500 0.019 0.000 0.716 449 K HN 0.648 nan 8.250 nan 0.000 0.446 450 M N -1.133 118.445 119.600 -0.036 0.000 2.460 450 M HA -0.016 4.459 4.480 -0.009 0.000 0.263 450 M C 0.548 176.761 176.300 -0.145 0.000 1.071 450 M CA 1.289 56.581 55.300 -0.012 0.000 1.096 450 M CB 0.286 32.913 32.600 0.045 0.000 1.408 450 M HN -0.133 nan 8.290 nan 0.000 0.463 451 R N 1.473 121.809 120.500 -0.274 0.000 2.767 451 R HA 0.388 4.723 4.340 -0.009 0.000 0.377 451 R C -0.541 175.361 176.300 -0.664 0.000 1.151 451 R CA -0.124 55.721 56.100 -0.425 0.000 1.046 451 R CB 0.095 30.075 30.300 -0.533 0.000 1.404 451 R HN 0.280 nan 8.270 nan 0.000 0.580 452 S N 0.635 115.726 115.700 -1.015 0.000 2.596 452 S HA -0.092 4.373 4.470 -0.009 0.000 0.298 452 S C 0.149 174.002 174.600 -1.245 0.000 1.255 452 S CA 0.181 57.315 58.200 -1.777 0.000 1.083 452 S CB -0.047 62.039 63.200 -1.857 0.000 0.837 452 S HN 0.596 nan 8.310 nan 0.000 0.499 453 W N 0.977 121.434 121.300 -1.405 0.000 3.520 453 W HA -0.287 4.368 4.660 -0.009 0.000 0.305 453 W C 0.794 177.183 176.519 -0.215 0.000 1.150 453 W CA 0.154 57.213 57.345 -0.476 0.000 0.656 453 W CB -2.063 27.238 29.460 -0.265 0.000 2.198 453 W HN 0.627 nan 8.180 nan 0.000 1.417 454 M N -0.609 118.910 119.600 -0.134 0.000 2.306 454 M HA 0.325 4.800 4.480 -0.009 0.000 0.292 454 M C 1.430 177.666 176.300 -0.107 0.000 1.018 454 M CA 0.388 55.734 55.300 0.077 0.000 1.007 454 M CB 0.301 32.944 32.600 0.071 0.000 1.510 454 M HN 0.094 nan 8.290 nan 0.000 0.537 455 A N 0.291 122.906 122.820 -0.343 0.000 2.498 455 A HA 0.299 4.613 4.320 -0.009 0.000 0.239 455 A C 0.090 177.125 177.584 -0.915 0.000 1.068 455 A CA 0.197 51.632 52.037 -1.002 0.000 0.766 455 A CB -0.463 17.758 19.000 -1.298 0.000 1.003 455 A HN 0.609 nan 8.150 nan 0.000 0.497 456 F N -0.733 118.504 119.950 -1.188 0.000 2.871 456 F HA -0.196 4.326 4.527 -0.009 0.000 0.326 456 F C 0.880 176.870 175.800 0.317 0.000 0.675 456 F CA 1.078 58.796 58.000 -0.470 0.000 1.188 456 F CB -2.616 36.320 39.000 -0.106 0.000 1.567 456 F HN 0.516 nan 8.300 nan 0.000 0.325 457 T N 0.526 115.351 114.554 0.453 0.000 2.845 457 T HA 0.594 4.939 4.350 -0.009 0.000 0.288 457 T C 1.088 176.192 174.700 0.672 0.000 0.980 457 T CA -0.050 62.340 62.100 0.483 0.000 1.071 457 T CB 2.422 71.567 68.868 0.462 0.000 0.941 457 T HN -0.013 nan 8.240 nan 0.000 0.487 458 V N 1.720 121.878 119.914 0.407 0.000 3.050 458 V HA 0.466 4.580 4.120 -0.009 0.000 0.223 458 V C 1.032 177.204 176.094 0.130 0.000 1.162 458 V CA 0.034 62.534 62.300 0.334 0.000 1.247 458 V CB -0.455 31.490 31.823 0.203 0.000 1.125 458 V HN 0.907 nan 8.190 nan 0.000 0.508 459 A N -0.019 122.805 122.820 0.007 0.000 2.310 459 A HA 0.403 4.717 4.320 -0.009 0.000 0.299 459 A C 0.015 177.436 177.584 -0.271 0.000 1.147 459 A CA -0.225 51.749 52.037 -0.104 0.000 0.818 459 A CB -0.186 18.768 19.000 -0.078 0.000 1.096 459 A HN 0.569 nan 8.150 nan 0.000 0.495 460 H N 2.068 120.760 119.070 -0.630 0.000 3.107 460 H HA 0.184 4.735 4.556 -0.009 0.000 0.301 460 H C 1.199 176.192 175.328 -0.558 0.000 0.981 460 H CA 1.420 56.904 56.048 -0.941 0.000 1.443 460 H CB 0.340 29.143 29.762 -1.598 0.000 1.479 460 H HN 1.391 nan 8.280 nan 0.000 0.564 461 A N 4.476 126.754 122.820 -0.904 0.000 2.861 461 A HA -0.217 4.098 4.320 -0.009 0.000 0.261 461 A C 0.263 177.630 177.584 -0.361 0.000 1.351 461 A CA 1.188 52.871 52.037 -0.590 0.000 0.904 461 A CB -1.971 16.718 19.000 -0.518 0.000 1.076 461 A HN 0.652 nan 8.150 nan 0.000 0.729 462 L N 0.928 121.945 121.223 -0.343 0.000 2.679 462 L HA 0.331 4.666 4.340 -0.009 0.000 0.238 462 L C -1.934 174.795 176.870 -0.235 0.000 1.330 462 L CA -1.732 52.971 54.840 -0.229 0.000 0.935 462 L CB 0.909 42.878 42.059 -0.151 0.000 1.243 462 L HN 0.218 nan 8.230 nan 0.000 0.484 463 P HA 0.126 nan 4.420 nan 0.000 0.269 463 P C -1.022 176.226 177.300 -0.087 0.000 1.215 463 P CA -0.009 62.943 63.100 -0.247 0.000 0.780 463 P CB 1.067 32.593 31.700 -0.289 0.000 0.898 464 N N -0.062 118.639 118.700 0.001 0.000 3.343 464 N HA 0.216 4.950 4.740 -0.009 0.000 0.330 464 N C 0.810 176.378 175.510 0.096 0.000 1.560 464 N CA -0.936 52.109 53.050 -0.008 0.000 0.752 464 N CB 0.478 38.952 38.487 -0.021 0.000 1.863 464 N HN 0.240 nan 8.380 nan 0.000 0.636 465 K N -0.865 119.568 120.400 0.056 0.000 2.103 465 K HA -0.165 4.150 4.320 -0.009 0.000 0.207 465 K C 0.980 177.747 176.600 0.278 0.000 1.048 465 K CA 1.706 58.093 56.287 0.167 0.000 0.930 465 K CB -0.093 32.451 32.500 0.073 0.000 0.716 465 K HN 0.512 nan 8.250 nan 0.000 0.444 466 Q N -0.541 119.350 119.800 0.153 0.000 2.378 466 Q HA -0.034 4.301 4.340 -0.009 0.000 0.205 466 Q C 1.575 177.692 176.000 0.194 0.000 0.954 466 Q CA 1.553 57.424 55.803 0.114 0.000 0.901 466 Q CB 0.595 29.321 28.738 -0.019 0.000 0.981 466 Q HN 0.601 nan 8.270 nan 0.000 0.483 467 T N -4.012 110.701 114.554 0.265 0.000 2.964 467 T HA -0.013 4.332 4.350 -0.009 0.000 0.250 467 T C 1.622 176.515 174.700 0.321 0.000 0.982 467 T CA 0.058 62.413 62.100 0.424 0.000 0.959 467 T CB -0.528 68.614 68.868 0.456 0.000 1.141 467 T HN 0.369 nan 8.240 nan 0.000 0.494 468 Y N 2.128 122.488 120.300 0.100 0.000 2.421 468 Y HA 0.207 4.751 4.550 -0.009 0.000 0.292 468 Y C 2.118 178.018 175.900 0.000 0.000 1.136 468 Y CA 0.723 58.877 58.100 0.090 0.000 1.255 468 Y CB -0.644 37.847 38.460 0.053 0.000 0.991 468 Y HN 0.157 nan 8.280 nan 0.000 0.552 469 S N -0.186 115.017 115.700 -0.828 0.000 2.447 469 S HA -0.086 4.378 4.470 -0.009 0.000 0.233 469 S C 0.885 175.010 174.600 -0.792 0.000 1.006 469 S CA 1.262 58.909 58.200 -0.923 0.000 0.957 469 S CB -0.396 62.180 63.200 -1.039 0.000 0.773 469 S HN 0.620 nan 8.310 nan 0.000 0.507 470 Y N -1.648 118.434 120.300 -0.363 0.000 2.539 470 Y HA 0.271 4.816 4.550 -0.009 0.000 0.284 470 Y C 1.935 177.438 175.900 -0.660 0.000 1.134 470 Y CA -0.744 56.894 58.100 -0.769 0.000 1.251 470 Y CB -0.902 36.712 38.460 -1.410 0.000 1.260 470 Y HN 0.191 nan 8.280 nan 0.000 0.528 471 Y N 1.087 121.252 120.300 -0.224 0.000 2.256 471 Y HA -0.167 4.378 4.550 -0.009 0.000 0.288 471 Y C 2.400 178.340 175.900 0.066 0.000 1.155 471 Y CA 1.536 59.677 58.100 0.067 0.000 1.203 471 Y CB -0.625 37.931 38.460 0.161 0.000 0.980 471 Y HN 0.121 nan 8.280 nan 0.000 0.530 472 G N -0.085 108.760 108.800 0.075 0.000 2.470 472 G HA2 -0.235 3.720 3.960 -0.009 0.000 0.220 472 G HA3 -0.235 3.720 3.960 -0.009 0.000 0.220 472 G C 1.637 176.552 174.900 0.025 0.000 1.121 472 G CA 1.184 46.330 45.100 0.077 0.000 0.766 472 G HN 0.512 nan 8.290 nan 0.000 0.553 473 I N 0.157 120.710 120.570 -0.029 0.000 2.202 473 I HA -0.094 4.070 4.170 -0.009 0.000 0.242 473 I C 2.656 178.798 176.117 0.041 0.000 1.091 473 I CA 0.628 61.931 61.300 0.005 0.000 1.368 473 I CB -0.195 37.810 38.000 0.007 0.000 1.058 473 I HN 0.088 nan 8.210 nan 0.000 0.410 474 L N 0.248 121.493 121.223 0.037 0.000 2.046 474 L HA -0.210 4.125 4.340 -0.009 0.000 0.208 474 L C 2.631 179.525 176.870 0.040 0.000 1.077 474 L CA 1.486 56.400 54.840 0.123 0.000 0.747 474 L CB -0.669 41.453 42.059 0.104 0.000 0.896 474 L HN 0.270 nan 8.230 nan 0.000 0.432 475 E N 0.343 120.412 120.200 -0.218 0.000 2.077 475 E HA -0.157 4.188 4.350 -0.009 0.000 0.193 475 E C 2.236 178.699 176.600 -0.228 0.000 0.989 475 E CA 1.616 57.805 56.400 -0.352 0.000 0.800 475 E CB 0.001 29.407 29.700 -0.490 0.000 0.746 475 E HN 0.246 nan 8.360 nan 0.000 0.452 476 S N -0.061 115.665 115.700 0.043 0.000 2.368 476 S HA -0.093 4.372 4.470 -0.009 0.000 0.225 476 S C 1.931 176.596 174.600 0.108 0.000 1.030 476 S CA 1.134 59.447 58.200 0.189 0.000 0.999 476 S CB -0.289 63.031 63.200 0.200 0.000 0.844 476 S HN 0.253 nan 8.310 nan 0.000 0.459 477 L N 1.991 123.287 121.223 0.121 0.000 2.201 477 L HA -0.078 4.257 4.340 -0.009 0.000 0.212 477 L C 2.670 179.659 176.870 0.197 0.000 1.105 477 L CA 1.134 56.080 54.840 0.178 0.000 0.775 477 L CB -0.760 41.427 42.059 0.212 0.000 0.913 477 L HN 0.415 nan 8.230 nan 0.000 0.440 478 S N -0.372 115.367 115.700 0.064 0.000 2.419 478 S HA -0.131 4.334 4.470 -0.009 0.000 0.235 478 S C 1.679 176.157 174.600 -0.204 0.000 1.019 478 S CA 1.204 59.231 58.200 -0.289 0.000 0.982 478 S CB -0.551 62.358 63.200 -0.484 0.000 0.789 478 S HN 0.442 nan 8.310 nan 0.000 0.490 479 G N -0.042 108.697 108.800 -0.100 0.000 3.519 479 G HA2 0.445 4.400 3.960 -0.009 0.000 0.269 479 G HA3 0.445 4.400 3.960 -0.009 0.000 0.269 479 G C -0.041 174.851 174.900 -0.013 0.000 1.028 479 G CA -0.532 44.522 45.100 -0.077 0.000 0.809 479 G HN 0.459 nan 8.290 nan 0.000 0.521 480 M N 1.480 121.100 119.600 0.034 0.000 2.250 480 M HA 0.307 4.782 4.480 -0.009 0.000 0.344 480 M C 1.345 177.679 176.300 0.057 0.000 1.150 480 M CA -0.755 54.584 55.300 0.065 0.000 1.147 480 M CB 0.894 33.554 32.600 0.101 0.000 1.498 480 M HN 0.206 nan 8.290 nan 0.000 0.461 481 R N 2.755 123.296 120.500 0.069 0.000 3.441 481 R HA 0.204 4.538 4.340 -0.009 0.000 0.225 481 R C -0.651 175.699 176.300 0.083 0.000 1.756 481 R CA -0.311 55.823 56.100 0.057 0.000 1.504 481 R CB -1.458 28.883 30.300 0.068 0.000 1.183 481 R HN 0.445 nan 8.270 nan 0.000 0.567 482 V N -2.726 117.228 119.914 0.066 0.000 3.113 482 V HA 0.489 4.604 4.120 -0.009 0.000 0.316 482 V C -0.766 175.352 176.094 0.041 0.000 1.125 482 V CA -1.481 60.839 62.300 0.033 0.000 1.026 482 V CB 2.096 33.919 31.823 -0.002 0.000 1.080 482 V HN 0.155 nan 8.190 nan 0.000 0.444 483 N N 1.148 119.861 118.700 0.022 0.000 2.419 483 N HA 0.541 5.276 4.740 -0.009 0.000 0.264 483 N C -0.864 174.651 175.510 0.009 0.000 1.031 483 N CA -0.172 52.901 53.050 0.039 0.000 0.951 483 N CB 1.761 40.265 38.487 0.029 0.000 1.101 483 N HN 0.627 nan 8.380 nan 0.000 0.488 484 V N 3.254 123.193 119.914 0.042 0.000 2.417 484 V HA 0.473 4.587 4.120 -0.009 0.000 0.291 484 V C 0.424 176.433 176.094 -0.141 0.000 1.024 484 V CA -0.757 61.478 62.300 -0.108 0.000 0.861 484 V CB 1.261 33.029 31.823 -0.091 0.000 0.985 484 V HN 0.677 nan 8.190 nan 0.000 0.436 485 R N 3.634 123.960 120.500 -0.290 0.000 2.888 485 R HA 0.766 5.100 4.340 -0.009 0.000 0.266 485 R C -1.844 174.177 176.300 -0.465 0.000 1.020 485 R CA -0.739 55.252 56.100 -0.182 0.000 0.963 485 R CB 1.933 32.185 30.300 -0.079 0.000 1.197 485 R HN 0.389 nan 8.270 nan 0.000 0.481 486 F N 2.178 121.959 119.950 -0.282 0.000 2.507 486 F HA 0.480 5.002 4.527 -0.009 0.000 0.328 486 F C 0.097 175.758 175.800 -0.231 0.000 1.136 486 F CA -0.974 56.843 58.000 -0.304 0.000 0.930 486 F CB 1.929 40.697 39.000 -0.386 0.000 1.166 486 F HN 0.428 nan 8.300 nan 0.000 0.436 487 I N -0.072 120.422 120.570 -0.127 0.000 2.740 487 I HA 0.817 4.982 4.170 -0.009 0.000 0.303 487 I C -0.319 175.648 176.117 -0.250 0.000 1.044 487 I CA -0.753 60.451 61.300 -0.160 0.000 1.064 487 I CB 2.178 40.064 38.000 -0.190 0.000 1.249 487 I HN 0.515 nan 8.210 nan 0.000 0.433 488 S N 2.752 118.307 115.700 -0.242 0.000 2.745 488 S HA 0.499 4.964 4.470 -0.009 0.000 0.292 488 S C 0.495 174.836 174.600 -0.432 0.000 1.133 488 S CA -0.579 57.415 58.200 -0.343 0.000 0.998 488 S CB 1.135 64.225 63.200 -0.183 0.000 1.087 488 S HN 0.602 nan 8.310 nan 0.000 0.551 489 F N 0.954 120.768 119.950 -0.226 0.000 2.234 489 F HA -0.004 4.518 4.527 -0.008 0.000 0.299 489 F C 2.144 177.795 175.800 -0.247 0.000 1.087 489 F CA 1.091 58.921 58.000 -0.283 0.000 1.340 489 F CB -0.664 38.110 39.000 -0.378 0.000 1.031 489 F HN 0.497 nan 8.300 nan 0.000 0.500 490 D N 0.291 120.650 120.400 -0.068 0.000 2.144 490 D HA -0.162 4.473 4.640 -0.009 0.000 0.199 490 D C 1.740 177.947 176.300 -0.155 0.000 0.984 490 D CA 1.414 55.345 54.000 -0.115 0.000 0.834 490 D CB -0.455 40.282 40.800 -0.105 0.000 0.955 490 D HN 0.271 nan 8.370 nan 0.000 0.465 491 D N 0.460 120.781 120.400 -0.133 0.000 2.097 491 D HA -0.105 4.530 4.640 -0.009 0.000 0.195 491 D C 2.357 178.580 176.300 -0.130 0.000 0.989 491 D CA 0.563 54.501 54.000 -0.102 0.000 0.827 491 D CB -0.341 40.423 40.800 -0.059 0.000 0.966 491 D HN 0.096 nan 8.370 nan 0.000 0.456 492 V N 1.121 120.952 119.914 -0.138 0.000 2.358 492 V HA -0.184 3.931 4.120 -0.009 0.000 0.246 492 V C 2.673 178.693 176.094 -0.123 0.000 1.047 492 V CA 1.038 63.259 62.300 -0.131 0.000 1.035 492 V CB -0.447 31.286 31.823 -0.151 0.000 0.658 492 V HN 0.157 nan 8.190 nan 0.000 0.452 493 L N 0.094 121.235 121.223 -0.137 0.000 2.046 493 L HA -0.133 4.202 4.340 -0.009 0.000 0.208 493 L C 2.669 179.439 176.870 -0.167 0.000 1.077 493 L CA 1.654 56.411 54.840 -0.138 0.000 0.747 493 L CB -0.716 41.258 42.059 -0.142 0.000 0.896 493 L HN 0.354 nan 8.230 nan 0.000 0.432 494 A N -1.372 121.287 122.820 -0.268 0.000 1.968 494 A HA -0.134 4.181 4.320 -0.009 0.000 0.217 494 A C 1.689 179.031 177.584 -0.403 0.000 1.169 494 A CA 1.224 53.005 52.037 -0.426 0.000 0.638 494 A CB -0.304 18.275 19.000 -0.701 0.000 0.812 494 A HN 0.485 nan 8.150 nan 0.000 0.446 495 H N -1.871 117.167 119.070 -0.053 0.000 3.398 495 H HA 0.354 4.905 4.556 -0.009 0.000 0.260 495 H C 1.225 176.521 175.328 -0.054 0.000 1.189 495 H CA 0.048 56.068 56.048 -0.047 0.000 1.145 495 H CB -0.187 29.546 29.762 -0.047 0.000 1.599 495 H HN 0.636 nan 8.280 nan 0.000 0.615 496 G N 1.572 110.383 108.800 0.017 0.000 2.752 496 G HA2 -0.281 3.674 3.960 -0.009 0.000 0.234 496 G HA3 -0.281 3.674 3.960 -0.009 0.000 0.234 496 G C -0.274 174.577 174.900 -0.081 0.000 1.367 496 G CA -0.272 44.812 45.100 -0.027 0.000 0.879 496 G HN 0.218 nan 8.290 nan 0.000 0.563 497 I N 1.291 121.764 120.570 -0.162 0.000 2.342 497 I HA 0.205 4.370 4.170 -0.009 0.000 0.291 497 I C 0.070 176.091 176.117 -0.161 0.000 1.010 497 I CA -0.580 60.534 61.300 -0.310 0.000 1.308 497 I CB 1.120 38.649 38.000 -0.785 0.000 1.400 497 I HN 0.323 nan 8.210 nan 0.000 0.488 498 D N 4.043 124.373 120.400 -0.117 0.000 2.455 498 D HA -0.020 4.615 4.640 -0.009 0.000 0.241 498 D C 1.278 177.600 176.300 0.037 0.000 1.138 498 D CA 0.203 54.184 54.000 -0.031 0.000 0.877 498 D CB 1.180 41.961 40.800 -0.033 0.000 1.187 498 D HN 0.625 nan 8.370 nan 0.000 0.451 499 S N 1.236 116.982 115.700 0.076 0.000 2.507 499 S HA -0.175 4.290 4.470 -0.009 0.000 0.235 499 S C 1.027 175.702 174.600 0.124 0.000 0.988 499 S CA 0.582 58.863 58.200 0.135 0.000 0.944 499 S CB -0.009 63.252 63.200 0.102 0.000 0.762 499 S HN 0.486 nan 8.310 nan 0.000 0.526 500 D N 1.513 121.963 120.400 0.084 0.000 2.277 500 D HA 0.045 4.680 4.640 -0.009 0.000 0.208 500 D C 0.644 177.001 176.300 0.095 0.000 0.962 500 D CA -0.062 53.982 54.000 0.074 0.000 0.865 500 D CB -0.713 40.113 40.800 0.044 0.000 0.939 500 D HN 0.479 nan 8.370 nan 0.000 0.510 501 I N 1.858 122.500 120.570 0.120 0.000 2.668 501 I HA -0.070 4.095 4.170 -0.009 0.000 0.285 501 I C 0.893 177.182 176.117 0.287 0.000 1.168 501 I CA 0.099 61.486 61.300 0.145 0.000 1.424 501 I CB 0.716 38.754 38.000 0.063 0.000 1.377 501 I HN -0.157 nan 8.210 nan 0.000 0.560 502 D N 4.986 125.500 120.400 0.190 0.000 2.259 502 D HA 0.101 4.736 4.640 -0.009 0.000 0.216 502 D C 0.146 176.587 176.300 0.235 0.000 0.961 502 D CA 1.177 55.272 54.000 0.158 0.000 0.878 502 D CB 0.628 41.443 40.800 0.025 0.000 1.009 502 D HN 0.211 nan 8.370 nan 0.000 0.490 503 V N 1.489 121.535 119.914 0.219 0.000 2.760 503 V HA 0.390 4.505 4.120 -0.009 0.000 0.309 503 V C -0.337 175.863 176.094 0.177 0.000 1.077 503 V CA -0.747 61.684 62.300 0.219 0.000 0.910 503 V CB 2.919 34.770 31.823 0.047 0.000 1.008 503 V HN -0.086 nan 8.190 nan 0.000 0.424 504 I N 4.706 125.416 120.570 0.234 0.000 2.404 504 I HA 0.525 4.690 4.170 -0.009 0.000 0.293 504 I C -0.780 175.253 176.117 -0.141 0.000 0.992 504 I CA -0.443 60.878 61.300 0.035 0.000 1.149 504 I CB 1.849 39.913 38.000 0.107 0.000 1.315 504 I HN 0.447 nan 8.210 nan 0.000 0.446 505 I N 6.513 126.956 120.570 -0.211 0.000 2.404 505 I HA 0.330 4.495 4.170 -0.009 0.000 0.293 505 I C -0.240 175.735 176.117 -0.237 0.000 0.992 505 I CA -0.412 60.715 61.300 -0.288 0.000 1.149 505 I CB 1.544 39.420 38.000 -0.206 0.000 1.315 505 I HN 0.559 nan 8.210 nan 0.000 0.446 506 N N 4.722 123.244 118.700 -0.298 0.000 2.410 506 N HA 0.624 5.359 4.740 -0.009 0.000 0.287 506 N C -1.171 174.309 175.510 -0.050 0.000 1.044 506 N CA -0.249 52.768 53.050 -0.055 0.000 0.881 506 N CB 2.319 40.917 38.487 0.184 0.000 1.405 506 N HN 0.815 nan 8.380 nan 0.000 0.490 507 G N 0.784 109.627 108.800 0.071 0.000 2.667 507 G HA2 0.775 4.730 3.960 -0.009 0.000 0.298 507 G HA3 0.775 4.730 3.960 -0.009 0.000 0.298 507 G C -0.607 174.323 174.900 0.050 0.000 1.377 507 G CA -0.263 44.881 45.100 0.073 0.000 0.964 507 G HN 0.781 nan 8.290 nan 0.000 0.493 508 G N 0.712 109.308 108.800 -0.339 0.000 2.347 508 G HA2 0.400 4.354 3.960 -0.009 0.000 0.477 508 G HA3 0.400 4.354 3.960 -0.009 0.000 0.477 508 G C -3.493 171.208 174.900 -0.332 0.000 1.349 508 G CA -0.516 44.154 45.100 -0.716 0.000 1.000 508 G HN 0.685 nan 8.290 nan 0.000 0.605 509 P HA 0.486 nan 4.420 nan 0.000 0.278 509 P C 0.587 178.002 177.300 0.193 0.000 1.266 509 P CA -0.588 62.629 63.100 0.194 0.000 0.807 509 P CB 1.082 32.979 31.700 0.329 0.000 1.094 510 V N 1.136 121.190 119.914 0.235 0.000 3.032 510 V HA -0.042 4.073 4.120 -0.009 0.000 0.307 510 V C 0.281 176.480 176.094 0.174 0.000 1.097 510 V CA 0.970 63.378 62.300 0.180 0.000 1.191 510 V CB -0.972 31.036 31.823 0.307 0.000 0.964 510 V HN 0.678 nan 8.190 nan 0.000 0.494 511 D N 1.987 122.453 120.400 0.109 0.000 2.837 511 D HA -0.132 4.503 4.640 -0.009 0.000 0.230 511 D C 0.229 176.590 176.300 0.101 0.000 1.152 511 D CA 1.484 55.536 54.000 0.088 0.000 0.736 511 D CB -1.293 39.569 40.800 0.103 0.000 1.084 511 D HN 1.126 nan 8.370 nan 0.000 0.429 512 T N -5.347 109.271 114.554 0.107 0.000 2.930 512 T HA 0.763 5.108 4.350 -0.009 0.000 0.290 512 T C 1.411 176.056 174.700 -0.091 0.000 1.052 512 T CA -0.284 61.874 62.100 0.096 0.000 1.017 512 T CB 2.081 71.128 68.868 0.298 0.000 1.137 512 T HN -0.055 nan 8.240 nan 0.000 0.511 513 A N 0.198 122.815 122.820 -0.338 0.000 2.070 513 A HA 0.126 4.441 4.320 -0.009 0.000 0.220 513 A C 1.513 178.775 177.584 -0.537 0.000 1.159 513 A CA 1.060 52.750 52.037 -0.579 0.000 0.656 513 A CB -1.086 17.409 19.000 -0.843 0.000 0.800 513 A HN 0.755 nan 8.150 nan 0.000 0.453 514 F N 0.145 120.054 119.950 -0.067 0.000 2.473 514 F HA 0.010 4.531 4.527 -0.009 0.000 0.294 514 F C 2.663 178.504 175.800 0.069 0.000 1.103 514 F CA 1.374 59.305 58.000 -0.114 0.000 1.442 514 F CB -0.788 38.009 39.000 -0.338 0.000 1.097 514 F HN 0.301 nan 8.300 nan 0.000 0.547 515 T N -3.777 110.914 114.554 0.229 0.000 2.983 515 T HA 0.458 4.803 4.350 -0.009 0.000 0.250 515 T C 1.922 176.916 174.700 0.489 0.000 1.037 515 T CA 0.944 63.231 62.100 0.310 0.000 1.142 515 T CB -0.051 68.905 68.868 0.148 0.000 0.876 515 T HN 0.338 nan 8.240 nan 0.000 0.455 516 G N 0.385 109.298 108.800 0.190 0.000 2.367 516 G HA2 0.330 4.285 3.960 -0.009 0.000 0.181 516 G HA3 0.330 4.285 3.960 -0.009 0.000 0.181 516 G C 0.966 175.698 174.900 -0.281 0.000 1.000 516 G CA 0.351 45.366 45.100 -0.142 0.000 0.693 516 G HN 1.444 nan 8.290 nan 0.000 0.480 517 G N 0.757 109.516 108.800 -0.069 0.000 2.574 517 G HA2 -0.281 3.674 3.960 -0.009 0.000 0.286 517 G HA3 -0.281 3.674 3.960 -0.009 0.000 0.286 517 G C 0.501 175.318 174.900 -0.139 0.000 1.212 517 G CA 0.901 45.949 45.100 -0.088 0.000 0.979 517 G HN 0.676 nan 8.290 nan 0.000 0.557 518 D N 0.172 120.457 120.400 -0.192 0.000 2.378 518 D HA 0.053 4.688 4.640 -0.009 0.000 0.222 518 D C 2.355 178.439 176.300 -0.361 0.000 0.980 518 D CA 0.863 54.720 54.000 -0.238 0.000 0.907 518 D CB -0.046 40.633 40.800 -0.202 0.000 0.899 518 D HN 0.359 nan 8.370 nan 0.000 0.527 519 V N -0.485 119.123 119.914 -0.510 0.000 2.546 519 V HA -0.225 3.889 4.120 -0.009 0.000 0.254 519 V C 1.367 177.004 176.094 -0.762 0.000 1.076 519 V CA 1.440 63.302 62.300 -0.729 0.000 1.087 519 V CB -0.431 30.716 31.823 -1.126 0.000 0.674 519 V HN 0.341 nan 8.190 nan 0.000 0.470 520 W N -0.022 121.003 121.300 -0.458 0.000 2.800 520 W HA -0.025 4.630 4.660 -0.008 0.000 0.249 520 W C 2.377 178.667 176.519 -0.382 0.000 1.294 520 W CA 0.952 58.082 57.345 -0.359 0.000 1.402 520 W CB -0.387 28.900 29.460 -0.289 0.000 1.126 520 W HN 0.414 nan 8.180 nan 0.000 0.652 521 T N -2.778 111.545 114.554 -0.384 0.000 3.129 521 T HA 0.007 4.352 4.350 -0.009 0.000 0.251 521 T C 0.681 175.107 174.700 -0.457 0.000 1.117 521 T CA -0.151 61.470 62.100 -0.799 0.000 1.034 521 T CB -0.350 67.734 68.868 -1.308 0.000 0.968 521 T HN -0.145 nan 8.240 nan 0.000 0.526 522 N N 3.319 121.829 118.700 -0.318 0.000 2.405 522 N HA 0.180 4.915 4.740 -0.009 0.000 0.260 522 N C -1.416 174.016 175.510 -0.129 0.000 1.152 522 N CA -2.291 50.627 53.050 -0.219 0.000 0.948 522 N CB 1.665 39.997 38.487 -0.258 0.000 1.111 522 N HN 0.093 nan 8.380 nan 0.000 0.485 523 P HA -0.174 nan 4.420 nan 0.000 0.218 523 P C 1.026 178.318 177.300 -0.014 0.000 1.149 523 P CA 1.169 64.269 63.100 0.000 0.000 0.817 523 P CB 0.461 32.176 31.700 0.026 0.000 0.785 524 K N -0.232 120.140 120.400 -0.046 0.000 2.097 524 K HA -0.146 4.169 4.320 -0.009 0.000 0.206 524 K C 2.146 178.713 176.600 -0.056 0.000 1.049 524 K CA 0.863 57.123 56.287 -0.046 0.000 0.933 524 K CB -0.696 31.767 32.500 -0.063 0.000 0.717 524 K HN -0.058 nan 8.250 nan 0.000 0.442 525 L N 0.728 121.889 121.223 -0.105 0.000 1.994 525 L HA -0.133 4.201 4.340 -0.009 0.000 0.208 525 L C 2.046 178.899 176.870 -0.028 0.000 1.071 525 L CA 1.484 56.244 54.840 -0.134 0.000 0.745 525 L CB -0.559 41.306 42.059 -0.324 0.000 0.892 525 L HN 0.036 nan 8.230 nan 0.000 0.431 526 V N -0.139 119.793 119.914 0.030 0.000 2.343 526 V HA -0.293 3.822 4.120 -0.009 0.000 0.247 526 V C 2.526 178.668 176.094 0.079 0.000 1.051 526 V CA 2.034 64.400 62.300 0.110 0.000 1.036 526 V CB -0.489 31.412 31.823 0.129 0.000 0.654 526 V HN 0.532 nan 8.190 nan 0.000 0.451 527 E N -0.351 119.884 120.200 0.058 0.000 2.070 527 E HA -0.230 4.115 4.350 -0.009 0.000 0.197 527 E C 2.236 178.882 176.600 0.077 0.000 1.004 527 E CA 2.051 58.490 56.400 0.064 0.000 0.805 527 E CB -0.397 29.329 29.700 0.043 0.000 0.744 527 E HN 0.584 nan 8.360 nan 0.000 0.451 528 T N 0.574 115.160 114.554 0.053 0.000 2.652 528 T HA -0.151 4.194 4.350 -0.009 0.000 0.267 528 T C 2.085 176.853 174.700 0.113 0.000 1.039 528 T CA 1.404 63.539 62.100 0.058 0.000 1.153 528 T CB -0.284 68.582 68.868 -0.003 0.000 0.863 528 T HN -0.024 nan 8.240 nan 0.000 0.428 529 V N 1.150 121.121 119.914 0.096 0.000 2.358 529 V HA -0.122 3.993 4.120 -0.009 0.000 0.246 529 V C 2.628 178.842 176.094 0.199 0.000 1.047 529 V CA 1.524 63.907 62.300 0.139 0.000 1.035 529 V CB -0.579 31.265 31.823 0.036 0.000 0.658 529 V HN 0.335 nan 8.190 nan 0.000 0.452 530 R N 0.172 120.751 120.500 0.132 0.000 2.083 530 R HA -0.177 4.157 4.340 -0.009 0.000 0.237 530 R C 2.457 178.927 176.300 0.283 0.000 1.137 530 R CA 1.681 57.908 56.100 0.212 0.000 0.951 530 R CB -0.661 29.768 30.300 0.215 0.000 0.851 530 R HN 0.540 nan 8.270 nan 0.000 0.434 531 A N 0.166 123.115 122.820 0.215 0.000 1.902 531 A HA -0.219 4.096 4.320 -0.009 0.000 0.217 531 A C 1.912 179.628 177.584 0.220 0.000 1.181 531 A CA 1.366 53.511 52.037 0.180 0.000 0.623 531 A CB -0.899 18.185 19.000 0.140 0.000 0.818 531 A HN 0.640 nan 8.150 nan 0.000 0.443 532 W N 0.647 121.989 121.300 0.070 0.000 2.355 532 W HA -0.161 4.493 4.660 -0.009 0.000 0.309 532 W C 1.950 178.526 176.519 0.095 0.000 1.206 532 W CA 2.219 59.605 57.345 0.068 0.000 1.284 532 W CB -0.380 29.116 29.460 0.059 0.000 1.145 532 W HN 0.098 nan 8.180 nan 0.000 0.502 533 V N 1.178 121.169 119.914 0.130 0.000 2.295 533 V HA -0.303 3.812 4.120 -0.009 0.000 0.246 533 V C 2.393 178.498 176.094 0.019 0.000 1.049 533 V CA 2.364 64.628 62.300 -0.060 0.000 1.024 533 V CB -1.066 30.839 31.823 0.136 0.000 0.648 533 V HN 0.091 nan 8.190 nan 0.000 0.447 534 R N 0.923 121.515 120.500 0.154 0.000 2.127 534 R HA -0.102 4.233 4.340 -0.009 0.000 0.238 534 R C 1.987 178.261 176.300 -0.043 0.000 1.134 534 R CA 1.466 57.594 56.100 0.046 0.000 0.975 534 R CB -0.784 29.515 30.300 -0.001 0.000 0.865 534 R HN 0.529 nan 8.270 nan 0.000 0.447 535 G N -2.511 106.248 108.800 -0.067 0.000 3.141 535 G HA2 0.282 4.237 3.960 -0.009 0.000 0.218 535 G HA3 0.282 4.237 3.960 -0.009 0.000 0.218 535 G C 0.656 175.454 174.900 -0.171 0.000 1.170 535 G CA 0.288 45.329 45.100 -0.097 0.000 0.769 535 G HN 0.516 nan 8.290 nan 0.000 0.546 536 G N -1.533 107.127 108.800 -0.234 0.000 2.273 536 G HA2 0.062 4.017 3.960 -0.009 0.000 0.162 536 G HA3 0.062 4.017 3.960 -0.009 0.000 0.162 536 G C 0.719 175.364 174.900 -0.425 0.000 1.006 536 G CA 0.071 45.027 45.100 -0.241 0.000 0.704 536 G HN 0.834 nan 8.290 nan 0.000 0.487 537 G N -0.063 108.221 108.800 -0.861 0.000 2.684 537 G HA2 0.674 4.628 3.960 -0.009 0.000 0.255 537 G HA3 0.674 4.628 3.960 -0.009 0.000 0.255 537 G C 0.178 174.670 174.900 -0.681 0.000 1.219 537 G CA 0.572 44.734 45.100 -1.565 0.000 0.901 537 G HN 1.574 nan 8.290 nan 0.000 0.548 538 A N -0.490 122.077 122.820 -0.421 0.000 2.359 538 A HA 0.651 4.966 4.320 -0.009 0.000 0.303 538 A C -1.553 176.225 177.584 0.324 0.000 1.066 538 A CA -0.539 51.507 52.037 0.016 0.000 0.730 538 A CB 1.316 20.325 19.000 0.015 0.000 1.211 538 A HN 0.732 nan 8.150 nan 0.000 0.439 539 F N 3.028 123.051 119.950 0.122 0.000 2.467 539 F HA 0.632 5.153 4.527 -0.009 0.000 0.336 539 F C -0.839 175.002 175.800 0.068 0.000 1.123 539 F CA -0.669 57.417 58.000 0.144 0.000 0.964 539 F CB 1.962 41.031 39.000 0.114 0.000 1.136 539 F HN 0.335 nan 8.300 nan 0.000 0.447 540 V N 5.313 124.918 119.914 -0.515 0.000 2.409 540 V HA 0.660 4.775 4.120 -0.009 0.000 0.291 540 V C 0.141 175.867 176.094 -0.613 0.000 1.020 540 V CA -0.669 61.408 62.300 -0.372 0.000 0.848 540 V CB 1.375 33.078 31.823 -0.199 0.000 0.990 540 V HN 0.946 nan 8.190 nan 0.000 0.430 541 G N 3.614 112.198 108.800 -0.360 0.000 2.368 541 G HA2 0.619 4.574 3.960 -0.009 0.000 0.320 541 G HA3 0.619 4.574 3.960 -0.009 0.000 0.320 541 G C -1.060 173.724 174.900 -0.192 0.000 1.158 541 G CA -0.428 44.510 45.100 -0.270 0.000 0.912 541 G HN 0.548 nan 8.290 nan 0.000 0.456 542 V N 2.678 122.495 119.914 -0.162 0.000 2.409 542 V HA 0.797 4.912 4.120 -0.009 0.000 0.291 542 V C 1.097 177.216 176.094 0.040 0.000 1.020 542 V CA 0.708 62.934 62.300 -0.123 0.000 0.848 542 V CB 0.400 32.200 31.823 -0.038 0.000 0.990 542 V HN 1.593 nan 8.190 nan 0.000 0.430 543 G N 5.074 113.896 108.800 0.037 0.000 4.269 543 G HA2 -0.224 3.731 3.960 -0.009 0.000 0.290 543 G HA3 -0.224 3.731 3.960 -0.009 0.000 0.290 543 G C 0.164 175.251 174.900 0.313 0.000 1.570 543 G CA 0.374 45.654 45.100 0.299 0.000 1.072 543 G HN 0.684 nan 8.290 nan 0.000 0.681 544 E N 2.432 122.706 120.200 0.123 0.000 3.786 544 E HA 0.325 4.670 4.350 -0.009 0.000 0.215 544 E C -2.666 173.631 176.600 -0.506 0.000 1.188 544 E CA -1.596 54.742 56.400 -0.104 0.000 1.248 544 E CB 2.107 31.997 29.700 0.316 0.000 1.260 544 E HN 0.400 nan 8.360 nan 0.000 0.426 545 P HA -0.060 nan 4.420 nan 0.000 0.271 545 P C 0.318 177.162 177.300 -0.758 0.000 1.216 545 P CA 0.291 63.082 63.100 -0.514 0.000 0.776 545 P CB 1.184 32.695 31.700 -0.316 0.000 0.881 546 S N 0.168 115.328 115.700 -0.900 0.000 3.521 546 S HA -0.180 4.285 4.470 -0.009 0.000 0.328 546 S C 0.177 174.111 174.600 -1.110 0.000 1.165 546 S CA 0.799 57.809 58.200 -1.983 0.000 0.941 546 S CB -3.112 58.956 63.200 -1.887 0.000 0.951 546 S HN 0.748 nan 8.310 nan 0.000 0.539 547 S N 0.208 115.509 115.700 -0.664 0.000 2.545 547 S HA 0.737 5.202 4.470 -0.009 0.000 0.275 547 S C 0.017 174.376 174.600 -0.402 0.000 1.299 547 S CA -0.228 57.625 58.200 -0.578 0.000 1.048 547 S CB 1.586 64.368 63.200 -0.696 0.000 0.938 547 S HN 1.910 nan 8.310 nan 0.000 0.496 548 A N 3.934 126.520 122.820 -0.390 0.000 2.457 548 A HA 0.661 4.976 4.320 -0.009 0.000 0.283 548 A C -2.782 174.799 177.584 -0.006 0.000 1.166 548 A CA -1.772 50.188 52.037 -0.128 0.000 0.740 548 A CB 0.871 19.854 19.000 -0.028 0.000 1.181 548 A HN 0.682 nan 8.150 nan 0.000 0.446 549 P HA 0.200 nan 4.420 nan 0.000 0.271 549 P C 0.297 177.744 177.300 0.245 0.000 1.216 549 P CA 0.171 63.455 63.100 0.307 0.000 0.771 549 P CB 0.736 32.614 31.700 0.296 0.000 0.864 550 R N -0.318 120.338 120.500 0.260 0.000 3.977 550 R HA -0.256 4.079 4.340 -0.009 0.000 0.428 550 R C 1.203 177.624 176.300 0.202 0.000 1.079 550 R CA 1.030 57.243 56.100 0.189 0.000 1.269 550 R CB -2.338 28.048 30.300 0.144 0.000 1.856 550 R HN 0.412 nan 8.270 nan 0.000 0.551 551 F N 1.713 121.704 119.950 0.068 0.000 2.113 551 F HA -0.034 4.488 4.527 -0.008 0.000 0.297 551 F C 0.972 176.799 175.800 0.044 0.000 1.103 551 F CA 1.670 59.696 58.000 0.043 0.000 1.248 551 F CB 0.239 39.258 39.000 0.032 0.000 0.999 551 F HN 0.041 nan 8.300 nan 0.000 0.475 552 Q N -0.438 119.365 119.800 0.004 0.000 2.330 552 Q HA 0.203 4.538 4.340 -0.009 0.000 0.269 552 Q C 0.884 176.897 176.000 0.021 0.000 1.022 552 Q CA -0.111 55.639 55.803 -0.089 0.000 0.796 552 Q CB 1.889 30.594 28.738 -0.055 0.000 1.271 552 Q HN 0.026 nan 8.270 nan 0.000 0.450 553 T N 0.856 115.404 114.554 -0.009 0.000 2.778 553 T HA -0.159 4.186 4.350 -0.009 0.000 0.269 553 T C 1.288 176.004 174.700 0.027 0.000 1.050 553 T CA 1.705 63.814 62.100 0.015 0.000 1.137 553 T CB 0.023 68.887 68.868 -0.006 0.000 0.860 553 T HN 0.838 nan 8.240 nan 0.000 0.468 554 G N -0.060 108.753 108.800 0.021 0.000 3.324 554 G HA2 0.375 4.330 3.960 -0.009 0.000 0.251 554 G HA3 0.375 4.330 3.960 -0.009 0.000 0.251 554 G C 0.291 175.223 174.900 0.053 0.000 1.072 554 G CA -0.492 44.627 45.100 0.030 0.000 0.787 554 G HN 0.253 nan 8.290 nan 0.000 0.537 555 R N -0.377 120.167 120.500 0.073 0.000 2.569 555 R HA 0.441 4.776 4.340 -0.009 0.000 0.293 555 R C -0.492 175.908 176.300 0.166 0.000 1.186 555 R CA -0.748 55.403 56.100 0.086 0.000 0.956 555 R CB 0.396 30.735 30.300 0.065 0.000 1.196 555 R HN -0.020 nan 8.270 nan 0.000 0.444 556 F N 3.901 123.831 119.950 -0.033 0.000 2.188 556 F HA 0.350 4.874 4.527 -0.005 0.000 0.289 556 F C 0.035 175.937 175.800 0.170 0.000 1.082 556 F CA 0.482 58.497 58.000 0.025 0.000 1.282 556 F CB 0.318 39.266 39.000 -0.087 0.000 1.060 556 F HN 0.344 nan 8.300 nan 0.000 0.493 557 F N 2.939 122.840 119.950 -0.080 0.000 2.494 557 F HA 0.161 4.684 4.527 -0.006 0.000 0.369 557 F C 1.510 177.179 175.800 -0.217 0.000 1.098 557 F CA -0.888 56.965 58.000 -0.244 0.000 1.154 557 F CB -0.108 38.774 39.000 -0.196 0.000 1.103 557 F HN 0.133 nan 8.300 nan 0.000 0.549 558 Q N 2.667 122.399 119.800 -0.113 0.000 2.291 558 Q HA -0.052 4.283 4.340 -0.009 0.000 0.206 558 Q C 1.317 177.255 176.000 -0.103 0.000 0.976 558 Q CA 1.104 56.871 55.803 -0.060 0.000 0.875 558 Q CB 0.045 28.780 28.738 -0.005 0.000 0.927 558 Q HN 0.650 nan 8.270 nan 0.000 0.450 559 L N -0.062 121.023 121.223 -0.229 0.000 3.062 559 L HA 0.314 4.649 4.340 -0.009 0.000 0.255 559 L C 1.431 178.215 176.870 -0.144 0.000 1.274 559 L CA -0.259 54.431 54.840 -0.251 0.000 1.047 559 L CB 0.001 41.762 42.059 -0.497 0.000 1.402 559 L HN -0.033 nan 8.230 nan 0.000 0.550 560 A N 0.828 123.624 122.820 -0.040 0.000 1.978 560 A HA -0.249 4.066 4.320 -0.009 0.000 0.220 560 A C 2.048 179.601 177.584 -0.052 0.000 1.170 560 A CA 2.105 54.131 52.037 -0.018 0.000 0.636 560 A CB -0.269 18.699 19.000 -0.052 0.000 0.810 560 A HN 0.650 nan 8.150 nan 0.000 0.448 561 D N -0.010 120.365 120.400 -0.041 0.000 2.178 561 D HA -0.114 4.521 4.640 -0.009 0.000 0.201 561 D C 1.787 178.058 176.300 -0.048 0.000 0.980 561 D CA 1.563 55.578 54.000 0.025 0.000 0.842 561 D CB -0.880 39.994 40.800 0.123 0.000 0.948 561 D HN 0.260 nan 8.370 nan 0.000 0.472 562 V N 1.794 121.511 119.914 -0.330 0.000 2.307 562 V HA -0.162 3.952 4.120 -0.009 0.000 0.245 562 V C 2.559 178.551 176.094 -0.169 0.000 1.045 562 V CA 1.747 63.674 62.300 -0.622 0.000 1.024 562 V CB -0.494 30.904 31.823 -0.708 0.000 0.651 562 V HN 0.396 nan 8.190 nan 0.000 0.449 563 I N -2.282 118.265 120.570 -0.039 0.000 3.860 563 I HA 0.451 4.615 4.170 -0.009 0.000 0.319 563 I C 1.507 177.646 176.117 0.036 0.000 1.279 563 I CA 0.946 62.286 61.300 0.067 0.000 1.220 563 I CB -0.008 38.087 38.000 0.159 0.000 1.027 563 I HN 0.392 nan 8.210 nan 0.000 0.428 564 G N 1.634 110.427 108.800 -0.011 0.000 2.176 564 G HA2 -0.205 3.750 3.960 -0.009 0.000 0.253 564 G HA3 -0.205 3.750 3.960 -0.009 0.000 0.253 564 G C 0.051 174.861 174.900 -0.149 0.000 0.979 564 G CA 0.175 45.249 45.100 -0.043 0.000 0.641 564 G HN 0.364 nan 8.290 nan 0.000 0.530 565 V N 0.237 120.028 119.914 -0.205 0.000 2.760 565 V HA 0.754 4.869 4.120 -0.009 0.000 0.309 565 V C -0.603 175.201 176.094 -0.482 0.000 1.077 565 V CA -0.557 61.491 62.300 -0.420 0.000 0.910 565 V CB 2.110 33.618 31.823 -0.525 0.000 1.008 565 V HN 0.294 nan 8.190 nan 0.000 0.424 566 D N 1.577 121.437 120.400 -0.900 0.000 2.533 566 D HA 0.440 5.075 4.640 -0.009 0.000 0.247 566 D C -1.029 174.514 176.300 -1.262 0.000 1.056 566 D CA -0.542 52.801 54.000 -1.095 0.000 1.054 566 D CB 2.545 42.873 40.800 -0.788 0.000 1.400 566 D HN 0.637 nan 8.370 nan 0.000 0.533 567 E N 0.914 120.406 120.200 -1.181 0.000 2.145 567 E HA 0.231 4.576 4.350 -0.009 0.000 0.270 567 E C -0.993 175.406 176.600 -0.335 0.000 0.906 567 E CA -0.649 55.349 56.400 -0.671 0.000 0.761 567 E CB 1.157 30.498 29.700 -0.598 0.000 1.116 567 E HN 0.292 nan 8.360 nan 0.000 0.408 568 E N 3.432 123.571 120.200 -0.101 0.000 2.415 568 E HA -0.047 4.298 4.350 -0.009 0.000 0.263 568 E C -0.213 176.147 176.600 -0.401 0.000 0.995 568 E CA 0.323 56.626 56.400 -0.162 0.000 0.915 568 E CB 0.526 30.087 29.700 -0.230 0.000 0.951 568 E HN 0.360 nan 8.360 nan 0.000 0.449 569 R N 4.019 124.307 120.500 -0.354 0.000 2.613 569 R HA 0.103 4.438 4.340 -0.009 0.000 0.361 569 R C -0.399 175.880 176.300 -0.035 0.000 1.072 569 R CA -0.406 55.523 56.100 -0.285 0.000 1.089 569 R CB -0.622 29.494 30.300 -0.307 0.000 1.343 569 R HN 0.809 nan 8.270 nan 0.000 0.571 570 Y N -0.683 119.558 120.300 -0.098 0.000 4.841 570 Y HA -0.289 4.252 4.550 -0.014 0.000 0.242 570 Y C 1.374 177.237 175.900 -0.060 0.000 1.002 570 Y CA 0.767 58.823 58.100 -0.073 0.000 2.011 570 Y CB -1.550 36.873 38.460 -0.062 0.000 1.554 570 Y HN 0.101 nan 8.280 nan 0.000 0.618 571 Q N -0.395 119.416 119.800 0.018 0.000 2.376 571 Q HA 0.126 4.460 4.340 -0.009 0.000 0.206 571 Q C 1.618 177.604 176.000 -0.023 0.000 0.921 571 Q CA 1.498 57.307 55.803 0.010 0.000 0.911 571 Q CB 0.170 28.915 28.738 0.011 0.000 1.032 571 Q HN 0.681 nan 8.270 nan 0.000 0.510 572 T N -2.688 111.826 114.554 -0.066 0.000 3.293 572 T HA 0.369 4.714 4.350 -0.009 0.000 0.276 572 T C 1.316 175.933 174.700 -0.139 0.000 1.003 572 T CA -0.233 61.809 62.100 -0.096 0.000 0.916 572 T CB -0.303 68.500 68.868 -0.109 0.000 1.134 572 T HN 0.006 nan 8.240 nan 0.000 0.530 573 L N 0.486 121.646 121.223 -0.104 0.000 2.353 573 L HA -0.003 4.332 4.340 -0.009 0.000 0.220 573 L C 2.484 179.295 176.870 -0.098 0.000 1.133 573 L CA 0.679 55.455 54.840 -0.108 0.000 0.798 573 L CB -0.462 41.572 42.059 -0.041 0.000 0.922 573 L HN 0.373 nan 8.230 nan 0.000 0.445 574 S N -0.871 114.782 115.700 -0.079 0.000 2.489 574 S HA 0.014 4.478 4.470 -0.009 0.000 0.228 574 S C 0.801 175.351 174.600 -0.083 0.000 0.995 574 S CA 0.155 58.316 58.200 -0.065 0.000 0.934 574 S CB 0.149 63.324 63.200 -0.043 0.000 0.771 574 S HN 0.079 nan 8.310 nan 0.000 0.522 575 V N 3.631 123.474 119.914 -0.119 0.000 2.348 575 V HA 0.195 4.309 4.120 -0.009 0.000 0.270 575 V C -0.064 175.904 176.094 -0.210 0.000 1.037 575 V CA -1.003 61.217 62.300 -0.134 0.000 0.872 575 V CB 0.743 32.485 31.823 -0.136 0.000 1.002 575 V HN 0.251 nan 8.190 nan 0.000 0.464 576 D N 5.136 125.417 120.400 -0.198 0.000 2.493 576 D HA 0.064 4.699 4.640 -0.009 0.000 0.240 576 D C 0.045 176.043 176.300 -0.503 0.000 1.142 576 D CA 0.262 54.041 54.000 -0.368 0.000 0.872 576 D CB 0.957 41.528 40.800 -0.382 0.000 1.173 576 D HN 0.334 nan 8.370 nan 0.000 0.467 577 K N 2.949 123.037 120.400 -0.520 0.000 2.234 577 K HA 0.252 4.566 4.320 -0.009 0.000 0.277 577 K C -0.589 175.833 176.600 -0.297 0.000 1.038 577 K CA -0.616 55.469 56.287 -0.338 0.000 0.888 577 K CB 0.655 33.049 32.500 -0.176 0.000 1.091 577 K HN 0.315 nan 8.250 nan 0.000 0.467 578 Y N 2.285 122.679 120.300 0.156 0.000 2.331 578 Y HA 0.337 4.883 4.550 -0.007 0.000 0.338 578 Y C 0.006 176.063 175.900 0.262 0.000 0.976 578 Y CA -0.764 57.455 58.100 0.197 0.000 1.137 578 Y CB 0.809 39.315 38.460 0.077 0.000 1.172 578 Y HN 0.383 nan 8.280 nan 0.000 0.478 579 F N 5.945 125.957 119.950 0.104 0.000 2.411 579 F HA 0.394 4.915 4.527 -0.009 0.000 0.350 579 F C -1.836 173.955 175.800 -0.014 0.000 1.114 579 F CA -2.390 55.639 58.000 0.048 0.000 1.135 579 F CB 1.090 40.113 39.000 0.039 0.000 1.120 579 F HN 0.316 nan 8.300 nan 0.000 0.495 580 P HA 0.182 nan 4.420 nan 0.000 0.274 580 P C -2.683 174.563 177.300 -0.091 0.000 1.237 580 P CA -1.678 61.420 63.100 -0.003 0.000 0.793 580 P CB 0.056 31.762 31.700 0.009 0.000 0.977 581 P HA -0.010 nan 4.420 nan 0.000 0.265 581 P C -0.176 177.158 177.300 0.057 0.000 1.187 581 P CA 0.249 63.149 63.100 -0.334 0.000 0.766 581 P CB 0.149 31.749 31.700 -0.168 0.000 0.820 582 V N 4.108 124.212 119.914 0.316 0.000 2.715 582 V HA 0.016 4.130 4.120 -0.009 0.000 0.299 582 V C 0.498 176.785 176.094 0.322 0.000 1.054 582 V CA -0.040 62.471 62.300 0.350 0.000 1.077 582 V CB 1.211 33.321 31.823 0.479 0.000 0.972 582 V HN 0.217 nan 8.190 nan 0.000 0.484 583 V N 8.099 128.122 119.914 0.182 0.000 2.304 583 V HA 0.213 4.328 4.120 -0.009 0.000 0.262 583 V C -1.225 174.933 176.094 0.108 0.000 1.061 583 V CA -0.864 61.532 62.300 0.161 0.000 0.872 583 V CB 1.029 32.934 31.823 0.136 0.000 1.077 583 V HN 0.868 nan 8.190 nan 0.000 0.480 584 P HA 0.038 nan 4.420 nan 0.000 0.224 584 P C 0.091 177.401 177.300 0.018 0.000 1.157 584 P CA 0.674 63.764 63.100 -0.018 0.000 0.799 584 P CB 0.436 32.089 31.700 -0.078 0.000 0.809 585 D N 0.658 121.102 120.400 0.074 0.000 2.467 585 D HA 0.197 4.832 4.640 -0.009 0.000 0.220 585 D C -0.183 176.181 176.300 0.107 0.000 1.103 585 D CA 0.186 54.224 54.000 0.064 0.000 0.886 585 D CB 0.633 41.468 40.800 0.058 0.000 1.025 585 D HN 0.226 nan 8.370 nan 0.000 0.514 586 H N 1.387 120.439 119.070 -0.029 0.000 2.961 586 H HA 0.041 4.592 4.556 -0.008 0.000 0.371 586 H C 0.149 175.449 175.328 -0.046 0.000 1.190 586 H CA -0.687 55.342 56.048 -0.031 0.000 1.138 586 H CB 1.563 31.278 29.762 -0.078 0.000 1.816 586 H HN 0.164 nan 8.280 nan 0.000 0.551 587 F N 3.542 123.226 119.950 -0.443 0.000 2.085 587 F HA -0.258 4.264 4.527 -0.009 0.000 0.299 587 F C 1.958 177.690 175.800 -0.112 0.000 1.096 587 F CA 2.224 60.060 58.000 -0.273 0.000 1.227 587 F CB -0.240 38.569 39.000 -0.318 0.000 0.983 587 F HN 0.590 nan 8.300 nan 0.000 0.482 588 I N -0.258 120.462 120.570 0.250 0.000 2.286 588 I HA -0.292 3.873 4.170 -0.009 0.000 0.248 588 I C 2.005 178.053 176.117 -0.114 0.000 1.115 588 I CA 1.937 63.255 61.300 0.031 0.000 1.392 588 I CB -0.665 37.330 38.000 -0.007 0.000 1.065 588 I HN 0.348 nan 8.210 nan 0.000 0.418 589 T N -2.186 112.326 114.554 -0.070 0.000 3.105 589 T HA 0.375 4.720 4.350 -0.009 0.000 0.253 589 T C 1.686 176.307 174.700 -0.133 0.000 1.047 589 T CA 0.311 62.350 62.100 -0.101 0.000 0.944 589 T CB 0.337 69.164 68.868 -0.069 0.000 1.016 589 T HN 0.230 nan 8.240 nan 0.000 0.544 590 A N 2.485 125.190 122.820 -0.191 0.000 1.997 590 A HA -0.181 4.134 4.320 -0.009 0.000 0.221 590 A C 1.996 179.483 177.584 -0.163 0.000 1.172 590 A CA 1.858 53.779 52.037 -0.195 0.000 0.645 590 A CB -0.571 18.246 19.000 -0.304 0.000 0.813 590 A HN 0.508 nan 8.150 nan 0.000 0.454 591 D N -0.851 119.444 120.400 -0.175 0.000 2.339 591 D HA 0.160 4.795 4.640 -0.009 0.000 0.217 591 D C 0.016 176.248 176.300 -0.113 0.000 1.050 591 D CA 0.074 53.997 54.000 -0.129 0.000 0.856 591 D CB 0.198 40.926 40.800 -0.121 0.000 0.922 591 D HN 0.167 nan 8.370 nan 0.000 0.518 592 V N 3.411 123.253 119.914 -0.120 0.000 2.446 592 V HA 0.075 4.189 4.120 -0.009 0.000 0.276 592 V C -1.907 174.129 176.094 -0.097 0.000 1.030 592 V CA -1.158 61.071 62.300 -0.118 0.000 1.033 592 V CB 0.347 32.093 31.823 -0.128 0.000 0.993 592 V HN -0.051 nan 8.190 nan 0.000 0.477 593 P HA 0.092 nan 4.420 nan 0.000 0.263 593 P C -0.270 176.990 177.300 -0.067 0.000 1.195 593 P CA -0.033 63.025 63.100 -0.070 0.000 0.762 593 P CB 0.274 31.935 31.700 -0.065 0.000 0.799 594 V N 3.139 123.020 119.914 -0.054 0.000 2.763 594 V HA 0.028 4.142 4.120 -0.009 0.000 0.306 594 V C 0.744 176.815 176.094 -0.038 0.000 1.059 594 V CA 0.497 62.769 62.300 -0.047 0.000 1.138 594 V CB 0.468 32.273 31.823 -0.030 0.000 0.940 594 V HN 0.548 nan 8.190 nan 0.000 0.489 595 D N 5.290 125.668 120.400 -0.037 0.000 2.464 595 D HA 0.381 5.015 4.640 -0.009 0.000 0.243 595 D C -1.826 174.471 176.300 -0.006 0.000 1.104 595 D CA -2.177 51.809 54.000 -0.023 0.000 0.883 595 D CB 2.090 42.873 40.800 -0.028 0.000 1.050 595 D HN 0.168 nan 8.370 nan 0.000 0.524 596 P HA -0.057 nan 4.420 nan 0.000 0.217 596 P C 1.085 178.402 177.300 0.029 0.000 1.150 596 P CA 1.066 64.176 63.100 0.017 0.000 0.832 596 P CB 0.328 32.035 31.700 0.013 0.000 0.787 597 A N -0.030 122.803 122.820 0.022 0.000 1.930 597 A HA -0.054 4.260 4.320 -0.009 0.000 0.217 597 A C 2.304 179.913 177.584 0.041 0.000 1.175 597 A CA 1.910 53.963 52.037 0.027 0.000 0.627 597 A CB -1.533 17.478 19.000 0.018 0.000 0.815 597 A HN 0.185 nan 8.150 nan 0.000 0.443 598 A N 0.174 123.016 122.820 0.036 0.000 1.858 598 A HA -0.194 4.120 4.320 -0.009 0.000 0.216 598 A C 2.234 179.878 177.584 0.100 0.000 1.190 598 A CA 2.014 54.081 52.037 0.050 0.000 0.617 598 A CB -0.562 18.448 19.000 0.015 0.000 0.827 598 A HN 0.566 nan 8.150 nan 0.000 0.443 599 R N -0.628 119.922 120.500 0.082 0.000 2.105 599 R HA -0.156 4.178 4.340 -0.009 0.000 0.239 599 R C 2.055 178.504 176.300 0.248 0.000 1.135 599 R CA 1.706 57.901 56.100 0.158 0.000 0.967 599 R CB -0.219 30.130 30.300 0.083 0.000 0.861 599 R HN 0.511 nan 8.270 nan 0.000 0.442 600 E N 0.282 120.565 120.200 0.138 0.000 2.051 600 E HA -0.156 4.189 4.350 -0.009 0.000 0.192 600 E C 1.899 178.547 176.600 0.080 0.000 0.991 600 E CA 1.422 57.881 56.400 0.097 0.000 0.799 600 E CB -0.267 29.466 29.700 0.055 0.000 0.748 600 E HN 0.489 nan 8.360 nan 0.000 0.449 601 A N 0.508 123.379 122.820 0.085 0.000 1.902 601 A HA -0.197 4.118 4.320 -0.009 0.000 0.217 601 A C 2.022 179.649 177.584 0.072 0.000 1.181 601 A CA 1.590 53.663 52.037 0.059 0.000 0.623 601 A CB -1.181 17.855 19.000 0.060 0.000 0.818 601 A HN 0.496 nan 8.150 nan 0.000 0.443 602 W N 0.923 122.191 121.300 -0.053 0.000 2.355 602 W HA -0.175 4.479 4.660 -0.010 0.000 0.309 602 W C 1.921 178.363 176.519 -0.128 0.000 1.206 602 W CA 1.977 59.272 57.345 -0.083 0.000 1.284 602 W CB -0.198 29.229 29.460 -0.055 0.000 1.145 602 W HN 0.466 nan 8.180 nan 0.000 0.502 603 E N -0.497 119.602 120.200 -0.169 0.000 2.077 603 E HA -0.267 4.078 4.350 -0.009 0.000 0.193 603 E C 2.229 178.613 176.600 -0.359 0.000 0.989 603 E CA 1.332 57.474 56.400 -0.430 0.000 0.800 603 E CB -0.281 29.363 29.700 -0.094 0.000 0.746 603 E HN 0.325 nan 8.360 nan 0.000 0.452 604 Q N -0.258 119.424 119.800 -0.197 0.000 2.137 604 Q HA -0.018 4.316 4.340 -0.009 0.000 0.198 604 Q C 2.103 177.997 176.000 -0.177 0.000 0.960 604 Q CA 1.118 56.833 55.803 -0.148 0.000 0.847 604 Q CB -0.063 28.630 28.738 -0.075 0.000 0.915 604 Q HN 0.221 nan 8.270 nan 0.000 0.448 605 A N 0.284 122.983 122.820 -0.201 0.000 1.929 605 A HA 0.223 4.538 4.320 -0.009 0.000 0.216 605 A C 1.270 178.691 177.584 -0.271 0.000 1.176 605 A CA 1.553 53.478 52.037 -0.187 0.000 0.628 605 A CB -0.667 18.249 19.000 -0.140 0.000 0.816 605 A HN 0.439 nan 8.150 nan 0.000 0.444 606 G N -2.038 106.471 108.800 -0.484 0.000 2.562 606 G HA2 -0.192 3.763 3.960 -0.009 0.000 0.250 606 G HA3 -0.192 3.763 3.960 -0.009 0.000 0.250 606 G C -0.352 174.178 174.900 -0.616 0.000 1.269 606 G CA 0.141 44.864 45.100 -0.628 0.000 0.919 606 G HN 0.689 nan 8.290 nan 0.000 0.574 607 Y N 0.601 120.815 120.300 -0.145 0.000 2.468 607 Y HA 0.665 5.209 4.550 -0.010 0.000 0.342 607 Y C 1.291 177.153 175.900 -0.064 0.000 1.021 607 Y CA -0.904 57.143 58.100 -0.089 0.000 1.079 607 Y CB 1.216 39.645 38.460 -0.052 0.000 1.226 607 Y HN 0.605 nan 8.280 nan 0.000 0.460 608 R N 2.198 122.762 120.500 0.106 0.000 2.538 608 R HA 0.163 4.498 4.340 -0.009 0.000 0.282 608 R C -0.668 175.669 176.300 0.061 0.000 1.009 608 R CA 0.099 56.222 56.100 0.038 0.000 1.063 608 R CB 0.209 30.500 30.300 -0.016 0.000 0.945 608 R HN 0.593 nan 8.270 nan 0.000 0.414 609 I N 5.220 125.815 120.570 0.042 0.000 2.474 609 I HA 0.099 4.264 4.170 -0.009 0.000 0.287 609 I C -1.694 174.461 176.117 0.063 0.000 1.048 609 I CA -2.112 59.217 61.300 0.048 0.000 1.383 609 I CB 0.980 38.996 38.000 0.027 0.000 1.412 609 I HN 0.295 nan 8.210 nan 0.000 0.531 610 P HA 0.024 nan 4.420 nan 0.000 0.261 610 P C -0.975 176.377 177.300 0.087 0.000 1.173 610 P CA 0.337 63.534 63.100 0.162 0.000 0.760 610 P CB 0.385 32.204 31.700 0.198 0.000 0.783 611 L N 1.920 123.181 121.223 0.063 0.000 2.455 611 L HA 0.317 4.652 4.340 -0.009 0.000 0.264 611 L C 0.039 176.917 176.870 0.013 0.000 0.968 611 L CA -0.901 53.954 54.840 0.025 0.000 0.827 611 L CB 2.365 44.424 42.059 0.001 0.000 1.317 611 L HN 0.276 nan 8.230 nan 0.000 0.407 612 S N 2.114 117.821 115.700 0.012 0.000 2.575 612 S HA 0.266 4.731 4.470 -0.009 0.000 0.295 612 S C 1.163 175.751 174.600 -0.021 0.000 1.267 612 S CA 1.236 59.437 58.200 0.003 0.000 1.074 612 S CB 0.189 63.391 63.200 0.003 0.000 0.829 612 S HN 1.225 nan 8.310 nan 0.000 0.497 613 G N 3.038 111.817 108.800 -0.036 0.000 2.184 613 G HA2 -0.262 3.693 3.960 -0.009 0.000 0.264 613 G HA3 -0.262 3.693 3.960 -0.009 0.000 0.264 613 G C 0.593 175.444 174.900 -0.082 0.000 0.975 613 G CA 0.349 45.415 45.100 -0.056 0.000 0.642 613 G HN 0.954 nan 8.290 nan 0.000 0.536 614 C N -0.205 119.038 119.300 -0.095 0.000 3.785 614 C HA 0.651 5.106 4.460 -0.009 0.000 0.312 614 C C 2.051 176.935 174.990 -0.176 0.000 1.566 614 C CA 0.398 59.347 59.018 -0.115 0.000 1.837 614 C CB -0.393 27.302 27.740 -0.076 0.000 2.826 614 C HN 2.085 nan 8.230 nan 0.000 0.667 615 G N 1.169 109.816 108.800 -0.255 0.000 2.552 615 G HA2 0.298 4.252 3.960 -0.009 0.000 0.265 615 G HA3 0.298 4.252 3.960 -0.009 0.000 0.265 615 G C -0.050 174.739 174.900 -0.186 0.000 1.234 615 G CA 0.008 44.810 45.100 -0.498 0.000 0.944 615 G HN 1.603 nan 8.290 nan 0.000 0.568 616 G N -3.553 105.188 108.800 -0.098 0.000 2.387 616 G HA2 0.686 4.641 3.960 -0.009 0.000 0.294 616 G HA3 0.686 4.641 3.960 -0.009 0.000 0.294 616 G C 0.951 175.936 174.900 0.141 0.000 1.509 616 G CA 1.232 46.404 45.100 0.121 0.000 0.806 616 G HN 2.728 nan 8.290 nan 0.000 0.546 617 G N -1.102 107.752 108.800 0.089 0.000 2.194 617 G HA2 -0.174 3.781 3.960 -0.009 0.000 0.236 617 G HA3 -0.174 3.781 3.960 -0.009 0.000 0.236 617 G C 0.336 175.264 174.900 0.046 0.000 0.987 617 G CA 0.890 46.024 45.100 0.057 0.000 0.635 617 G HN 1.007 nan 8.290 nan 0.000 0.520 618 Q N 1.591 121.303 119.800 -0.146 0.000 2.332 618 Q HA 0.530 4.865 4.340 -0.009 0.000 0.263 618 Q C 0.811 176.890 176.000 0.131 0.000 0.979 618 Q CA 0.499 56.168 55.803 -0.223 0.000 0.885 618 Q CB 1.217 29.623 28.738 -0.552 0.000 1.218 618 Q HN 0.732 nan 8.270 nan 0.000 0.405 619 S N 1.954 117.826 115.700 0.286 0.000 2.537 619 S HA 0.104 4.569 4.470 -0.009 0.000 0.286 619 S C 0.808 175.432 174.600 0.040 0.000 1.299 619 S CA -0.408 57.888 58.200 0.159 0.000 1.067 619 S CB 0.302 63.691 63.200 0.315 0.000 0.864 619 S HN 0.651 nan 8.310 nan 0.000 0.494 620 I N 1.657 122.195 120.570 -0.053 0.000 2.353 620 I HA -0.027 4.137 4.170 -0.009 0.000 0.248 620 I C 1.313 177.430 176.117 -0.001 0.000 1.119 620 I CA 1.079 62.355 61.300 -0.040 0.000 1.417 620 I CB -0.073 37.884 38.000 -0.071 0.000 1.078 620 I HN 0.610 nan 8.210 nan 0.000 0.421 621 K N 0.875 121.288 120.400 0.022 0.000 2.281 621 K HA 0.404 4.719 4.320 -0.009 0.000 0.242 621 K C -2.480 174.255 176.600 0.225 0.000 0.971 621 K CA -1.870 54.475 56.287 0.096 0.000 0.834 621 K CB 1.735 34.284 32.500 0.082 0.000 1.181 621 K HN -0.232 nan 8.250 nan 0.000 0.435 622 P HA 0.060 nan 4.420 nan 0.000 0.282 622 P C 0.100 177.461 177.300 0.103 0.000 1.249 622 P CA -0.464 62.729 63.100 0.155 0.000 0.806 622 P CB 0.897 32.649 31.700 0.086 0.000 0.984 623 L N 2.713 123.856 121.223 -0.132 0.000 2.131 623 L HA 0.191 4.526 4.340 -0.009 0.000 0.206 623 L C 1.223 177.978 176.870 -0.192 0.000 1.087 623 L CA 2.407 56.981 54.840 -0.443 0.000 0.767 623 L CB -1.432 40.022 42.059 -1.009 0.000 0.917 623 L HN 0.811 nan 8.230 nan 0.000 0.441 624 G N -1.263 107.485 108.800 -0.087 0.000 2.645 624 G HA2 0.123 4.078 3.960 -0.009 0.000 0.246 624 G HA3 0.123 4.078 3.960 -0.009 0.000 0.246 624 G C 0.886 175.746 174.900 -0.067 0.000 1.322 624 G CA -0.006 45.075 45.100 -0.032 0.000 0.898 624 G HN 1.451 nan 8.290 nan 0.000 0.573 625 G N -2.277 106.479 108.800 -0.073 0.000 2.232 625 G HA2 -0.062 3.893 3.960 -0.009 0.000 0.226 625 G HA3 -0.062 3.893 3.960 -0.009 0.000 0.226 625 G C 0.300 175.101 174.900 -0.165 0.000 0.996 625 G CA 0.797 45.831 45.100 -0.109 0.000 0.626 625 G HN 1.663 nan 8.290 nan 0.000 0.509 626 I N 1.160 121.600 120.570 -0.216 0.000 2.498 626 I HA 0.393 4.558 4.170 -0.009 0.000 0.290 626 I C -1.152 174.667 176.117 -0.496 0.000 1.032 626 I CA -0.913 60.108 61.300 -0.466 0.000 1.073 626 I CB 2.111 39.617 38.000 -0.824 0.000 1.251 626 I HN 0.034 nan 8.210 nan 0.000 0.426 627 D N 5.284 125.429 120.400 -0.425 0.000 2.365 627 D HA 0.233 4.868 4.640 -0.009 0.000 0.237 627 D C -0.052 176.043 176.300 -0.342 0.000 1.190 627 D CA 0.077 53.921 54.000 -0.259 0.000 0.867 627 D CB 0.424 41.145 40.800 -0.133 0.000 1.050 627 D HN 0.256 nan 8.370 nan 0.000 0.491 628 F N 2.444 122.349 119.950 -0.075 0.000 2.660 628 F HA 0.310 4.832 4.527 -0.008 0.000 0.302 628 F C 1.930 177.628 175.800 -0.170 0.000 1.103 628 F CA 0.289 58.217 58.000 -0.121 0.000 1.340 628 F CB 0.009 38.950 39.000 -0.098 0.000 1.048 628 F HN 0.604 nan 8.300 nan 0.000 0.551 629 G N 0.348 109.143 108.800 -0.008 0.000 2.574 629 G HA2 -0.277 3.678 3.960 -0.009 0.000 0.286 629 G HA3 -0.277 3.678 3.960 -0.009 0.000 0.286 629 G C -0.016 174.853 174.900 -0.051 0.000 1.212 629 G CA -0.436 44.587 45.100 -0.128 0.000 0.979 629 G HN 0.167 nan 8.290 nan 0.000 0.557 630 E N 2.811 122.918 120.200 -0.156 0.000 2.376 630 E HA 0.278 4.623 4.350 -0.009 0.000 0.266 630 E C -1.740 174.858 176.600 -0.003 0.000 1.009 630 E CA -0.807 55.574 56.400 -0.032 0.000 0.902 630 E CB 0.793 30.473 29.700 -0.033 0.000 0.972 630 E HN 0.410 nan 8.360 nan 0.000 0.439 631 P HA 0.074 nan 4.420 nan 0.000 0.276 631 P C -0.375 176.983 177.300 0.097 0.000 1.230 631 P CA -0.260 62.879 63.100 0.066 0.000 0.776 631 P CB 0.716 32.460 31.700 0.073 0.000 0.888 632 V N 4.927 124.916 119.914 0.125 0.000 2.348 632 V HA 0.150 4.265 4.120 -0.009 0.000 0.270 632 V C 0.884 177.058 176.094 0.134 0.000 1.037 632 V CA -0.592 61.818 62.300 0.183 0.000 0.872 632 V CB 0.400 32.406 31.823 0.305 0.000 1.002 632 V HN 0.415 nan 8.190 nan 0.000 0.464 633 L N 5.720 127.006 121.223 0.105 0.000 2.416 633 L HA 0.291 4.626 4.340 -0.009 0.000 0.272 633 L C 0.991 177.873 176.870 0.020 0.000 1.161 633 L CA -0.045 54.837 54.840 0.070 0.000 0.845 633 L CB 0.116 42.223 42.059 0.081 0.000 1.119 633 L HN 0.798 nan 8.230 nan 0.000 0.464 634 N N -0.100 118.614 118.700 0.023 0.000 2.776 634 N HA -0.144 4.591 4.740 -0.009 0.000 0.250 634 N C 0.145 175.667 175.510 0.019 0.000 1.112 634 N CA 1.074 54.122 53.050 -0.003 0.000 0.733 634 N CB -1.588 36.813 38.487 -0.143 0.000 1.097 634 N HN 0.867 nan 8.380 nan 0.000 0.558 635 T N -0.653 113.899 114.554 -0.003 0.000 2.926 635 T HA 0.403 4.748 4.350 -0.009 0.000 0.307 635 T C 0.156 174.824 174.700 -0.052 0.000 1.059 635 T CA -0.173 61.841 62.100 -0.143 0.000 1.122 635 T CB 0.919 69.701 68.868 -0.144 0.000 0.972 635 T HN 0.346 nan 8.240 nan 0.000 0.545 636 Y N -0.623 119.493 120.300 -0.306 0.000 2.597 636 Y HA 0.723 5.271 4.550 -0.004 0.000 0.340 636 Y C -3.277 172.329 175.900 -0.491 0.000 1.097 636 Y CA -3.445 54.373 58.100 -0.469 0.000 1.037 636 Y CB 0.680 38.952 38.460 -0.313 0.000 1.305 636 Y HN 0.450 nan 8.280 nan 0.000 0.463 637 P HA 0.080 nan 4.420 nan 0.000 0.281 637 P C 0.843 178.060 177.300 -0.140 0.000 1.252 637 P CA -0.270 62.627 63.100 -0.337 0.000 0.778 637 P CB 2.094 33.606 31.700 -0.313 0.000 0.895 638 V N 0.665 120.482 119.914 -0.162 0.000 2.759 638 V HA -0.101 4.014 4.120 -0.009 0.000 0.256 638 V C 0.480 176.601 176.094 0.045 0.000 1.080 638 V CA 1.594 63.876 62.300 -0.029 0.000 1.101 638 V CB -1.686 30.092 31.823 -0.074 0.000 0.698 638 V HN 0.737 nan 8.190 nan 0.000 0.477 639 N N -1.569 117.141 118.700 0.016 0.000 3.106 639 N HA 0.270 5.005 4.740 -0.009 0.000 0.253 639 N C -0.284 175.240 175.510 0.023 0.000 1.506 639 N CA -0.423 52.650 53.050 0.038 0.000 0.876 639 N CB 0.682 39.192 38.487 0.038 0.000 1.452 639 N HN 0.051 nan 8.380 nan 0.000 0.542 640 E N -1.029 119.192 120.200 0.035 0.000 2.479 640 E HA 0.159 4.503 4.350 -0.009 0.000 0.193 640 E C -0.065 176.549 176.600 0.023 0.000 1.049 640 E CA 0.151 56.568 56.400 0.029 0.000 0.870 640 E CB -0.383 29.338 29.700 0.035 0.000 0.944 640 E HN 0.509 nan 8.360 nan 0.000 0.492 641 N N 0.128 118.844 118.700 0.026 0.000 2.412 641 N HA 0.001 4.736 4.740 -0.009 0.000 0.184 641 N C -0.164 175.370 175.510 0.040 0.000 1.101 641 N CA -0.205 52.865 53.050 0.034 0.000 0.881 641 N CB 0.678 39.188 38.487 0.038 0.000 0.969 641 N HN -0.106 nan 8.380 nan 0.000 0.459 642 V N 1.527 121.455 119.914 0.023 0.000 2.637 642 V HA 0.033 4.147 4.120 -0.009 0.000 0.296 642 V C 0.525 176.630 176.094 0.018 0.000 1.046 642 V CA 0.040 62.351 62.300 0.017 0.000 1.066 642 V CB 1.283 33.092 31.823 -0.023 0.000 0.968 642 V HN 0.116 nan 8.190 nan 0.000 0.483 643 T N 6.884 121.454 114.554 0.028 0.000 2.728 643 T HA 0.460 4.805 4.350 -0.009 0.000 0.296 643 T C -0.132 174.557 174.700 -0.020 0.000 0.940 643 T CA -0.229 61.880 62.100 0.016 0.000 1.013 643 T CB 0.173 69.056 68.868 0.025 0.000 0.912 643 T HN 0.352 nan 8.240 nan 0.000 0.484 644 L N 4.807 126.030 121.223 0.001 0.000 2.265 644 L HA 0.379 4.714 4.340 -0.009 0.000 0.288 644 L C 1.002 177.874 176.870 0.003 0.000 1.058 644 L CA -0.462 54.384 54.840 0.010 0.000 0.809 644 L CB 0.966 43.062 42.059 0.062 0.000 1.179 644 L HN 0.626 nan 8.230 nan 0.000 0.429 645 L N 2.530 123.727 121.223 -0.044 0.000 2.425 645 L HA 0.252 4.587 4.340 -0.009 0.000 0.215 645 L C 0.466 177.327 176.870 -0.014 0.000 1.065 645 L CA 0.290 55.091 54.840 -0.064 0.000 0.842 645 L CB 0.025 41.993 42.059 -0.151 0.000 1.033 645 L HN 0.537 nan 8.230 nan 0.000 0.474 646 R N 0.553 121.053 120.500 0.001 0.000 2.510 646 R HA 0.596 4.931 4.340 -0.009 0.000 0.287 646 R C -1.197 175.111 176.300 0.013 0.000 1.084 646 R CA -0.206 55.902 56.100 0.014 0.000 0.934 646 R CB 1.903 32.240 30.300 0.062 0.000 1.201 646 R HN -0.066 nan 8.270 nan 0.000 0.431 647 A N 2.933 125.822 122.820 0.114 0.000 3.370 647 A HA 0.327 4.642 4.320 -0.009 0.000 0.295 647 A C -0.827 176.887 177.584 0.217 0.000 1.030 647 A CA -0.656 51.499 52.037 0.198 0.000 0.883 647 A CB 0.284 19.492 19.000 0.347 0.000 1.191 647 A HN 0.414 nan 8.150 nan 0.000 0.507 648 D N -0.002 120.478 120.400 0.133 0.000 2.253 648 D HA 0.520 5.155 4.640 -0.009 0.000 0.249 648 D C 1.215 177.574 176.300 0.098 0.000 1.049 648 D CA 1.144 55.219 54.000 0.125 0.000 0.929 648 D CB 1.564 42.422 40.800 0.098 0.000 1.176 648 D HN 0.916 nan 8.370 nan 0.000 0.437 649 G N 0.718 109.566 108.800 0.079 0.000 2.198 649 G HA2 -0.111 3.844 3.960 -0.009 0.000 0.260 649 G HA3 -0.111 3.844 3.960 -0.009 0.000 0.260 649 G C 0.929 175.847 174.900 0.030 0.000 1.025 649 G CA 0.602 45.732 45.100 0.051 0.000 0.769 649 G HN 1.230 nan 8.290 nan 0.000 0.507 650 G N -1.482 107.316 108.800 -0.002 0.000 2.176 650 G HA2 0.111 4.066 3.960 -0.009 0.000 0.252 650 G HA3 0.111 4.066 3.960 -0.009 0.000 0.252 650 G C 0.183 175.116 174.900 0.056 0.000 1.024 650 G CA 1.537 46.579 45.100 -0.097 0.000 0.755 650 G HN 2.205 nan 8.290 nan 0.000 0.507 651 Q N -2.444 117.479 119.800 0.205 0.000 2.737 651 Q HA 0.700 5.035 4.340 -0.009 0.000 0.307 651 Q C -1.361 174.801 176.000 0.271 0.000 0.905 651 Q CA -1.108 54.880 55.803 0.308 0.000 0.753 651 Q CB 1.609 30.442 28.738 0.159 0.000 1.463 651 Q HN 0.466 nan 8.270 nan 0.000 0.455 652 V N 1.465 121.474 119.914 0.159 0.000 2.435 652 V HA 0.175 4.290 4.120 -0.009 0.000 0.290 652 V C -0.310 175.807 176.094 0.039 0.000 1.030 652 V CA -0.246 62.103 62.300 0.081 0.000 0.881 652 V CB 1.383 33.197 31.823 -0.015 0.000 0.983 652 V HN 0.804 nan 8.190 nan 0.000 0.445 653 Q N 2.943 122.642 119.800 -0.168 0.000 2.391 653 Q HA 0.423 4.758 4.340 -0.009 0.000 0.243 653 Q C -0.384 175.257 176.000 -0.598 0.000 0.874 653 Q CA 0.209 55.664 55.803 -0.580 0.000 0.950 653 Q CB 0.846 28.745 28.738 -1.398 0.000 1.103 653 Q HN 0.545 nan 8.270 nan 0.000 0.544 654 L N -0.141 120.905 121.223 -0.295 0.000 2.543 654 L HA 0.819 5.154 4.340 -0.009 0.000 0.265 654 L C -2.064 174.790 176.870 -0.026 0.000 0.945 654 L CA -0.542 54.219 54.840 -0.131 0.000 0.869 654 L CB 1.874 43.912 42.059 -0.035 0.000 1.294 654 L HN -0.025 nan 8.230 nan 0.000 0.405 655 A N 2.342 125.173 122.820 0.019 0.000 2.604 655 A HA 0.817 5.132 4.320 -0.009 0.000 0.295 655 A C -1.187 176.410 177.584 0.022 0.000 1.067 655 A CA -0.120 51.922 52.037 0.009 0.000 0.683 655 A CB 1.887 20.906 19.000 0.031 0.000 1.281 655 A HN 0.683 nan 8.150 nan 0.000 0.407 656 T N 0.093 114.647 114.554 -0.001 0.000 2.906 656 T HA 0.712 5.057 4.350 -0.009 0.000 0.295 656 T C -1.322 173.434 174.700 0.092 0.000 1.075 656 T CA -0.522 61.616 62.100 0.063 0.000 1.005 656 T CB 1.341 70.250 68.868 0.069 0.000 1.136 656 T HN 0.994 nan 8.240 nan 0.000 0.498 657 N N 1.864 120.641 118.700 0.129 0.000 2.455 657 N HA 0.340 5.075 4.740 -0.009 0.000 0.285 657 N C -1.931 173.672 175.510 0.156 0.000 1.080 657 N CA -0.499 52.628 53.050 0.128 0.000 0.932 657 N CB 1.632 40.181 38.487 0.104 0.000 1.610 657 N HN 0.471 nan 8.380 nan 0.000 0.493 658 D N 1.724 122.216 120.400 0.154 0.000 2.390 658 D HA 0.104 4.739 4.640 -0.009 0.000 0.249 658 D C -0.970 175.457 176.300 0.211 0.000 1.144 658 D CA 0.805 54.899 54.000 0.157 0.000 0.880 658 D CB 0.382 41.256 40.800 0.123 0.000 1.182 658 D HN 0.414 nan 8.370 nan 0.000 0.451 659 Y N 2.045 122.370 120.300 0.042 0.000 2.445 659 Y HA 0.399 4.944 4.550 -0.009 0.000 0.332 659 Y C 0.848 176.753 175.900 0.007 0.000 1.037 659 Y CA 0.039 58.154 58.100 0.025 0.000 1.296 659 Y CB 0.663 39.140 38.460 0.028 0.000 1.099 659 Y HN 0.634 nan 8.280 nan 0.000 0.496 660 G N 4.509 113.202 108.800 -0.178 0.000 2.651 660 G HA2 -0.398 3.557 3.960 -0.009 0.000 0.315 660 G HA3 -0.398 3.557 3.960 -0.009 0.000 0.315 660 G C 1.029 175.898 174.900 -0.051 0.000 1.258 660 G CA 0.758 45.774 45.100 -0.140 0.000 1.002 660 G HN 0.616 nan 8.290 nan 0.000 0.551 661 K N 1.578 121.940 120.400 -0.062 0.000 2.366 661 K HA 0.184 4.499 4.320 -0.009 0.000 0.198 661 K C 1.603 178.196 176.600 -0.010 0.000 1.044 661 K CA 0.680 56.916 56.287 -0.085 0.000 0.973 661 K CB 0.010 32.437 32.500 -0.121 0.000 0.767 661 K HN 0.625 nan 8.250 nan 0.000 0.475 662 G N 0.694 109.523 108.800 0.048 0.000 2.795 662 G HA2 0.527 4.482 3.960 -0.009 0.000 0.267 662 G HA3 0.527 4.482 3.960 -0.009 0.000 0.267 662 G C -0.826 174.154 174.900 0.133 0.000 1.362 662 G CA -0.626 44.519 45.100 0.074 0.000 1.048 662 G HN 0.033 nan 8.290 nan 0.000 0.547 663 R N -1.665 118.875 120.500 0.065 0.000 2.651 663 R HA 0.543 4.878 4.340 -0.009 0.000 0.278 663 R C -0.617 175.744 176.300 0.101 0.000 1.010 663 R CA -0.694 55.447 56.100 0.068 0.000 0.896 663 R CB 2.417 32.681 30.300 -0.060 0.000 1.211 663 R HN 0.747 nan 8.270 nan 0.000 0.456 664 G N 0.948 109.821 108.800 0.121 0.000 2.420 664 G HA2 0.605 4.560 3.960 -0.009 0.000 0.331 664 G HA3 0.605 4.560 3.960 -0.009 0.000 0.331 664 G C -1.142 173.840 174.900 0.136 0.000 1.168 664 G CA -0.391 44.797 45.100 0.148 0.000 0.936 664 G HN 0.265 nan 8.290 nan 0.000 0.479 665 V N 1.162 121.150 119.914 0.123 0.000 2.789 665 V HA 0.463 4.578 4.120 -0.009 0.000 0.311 665 V C -1.373 174.785 176.094 0.106 0.000 1.073 665 V CA -0.867 61.491 62.300 0.097 0.000 0.921 665 V CB 1.823 33.685 31.823 0.065 0.000 1.009 665 V HN 0.761 nan 8.190 nan 0.000 0.426 666 Y N 4.999 125.287 120.300 -0.020 0.000 2.377 666 Y HA 0.814 5.359 4.550 -0.008 0.000 0.339 666 Y C -0.676 175.196 175.900 -0.046 0.000 1.011 666 Y CA -1.030 57.048 58.100 -0.036 0.000 1.093 666 Y CB 1.568 40.021 38.460 -0.011 0.000 1.201 666 Y HN 0.548 nan 8.280 nan 0.000 0.455 667 I N 5.061 125.104 120.570 -0.879 0.000 2.499 667 I HA 0.216 4.380 4.170 -0.009 0.000 0.288 667 I C 0.639 176.141 176.117 -1.026 0.000 1.048 667 I CA -0.543 60.330 61.300 -0.712 0.000 1.062 667 I CB 2.425 40.266 38.000 -0.265 0.000 1.238 667 I HN 0.759 nan 8.210 nan 0.000 0.426 668 S N 3.468 118.696 115.700 -0.786 0.000 2.387 668 S HA 0.201 4.666 4.470 -0.009 0.000 0.226 668 S C 0.821 175.296 174.600 -0.207 0.000 1.026 668 S CA 0.589 58.553 58.200 -0.394 0.000 0.972 668 S CB 0.077 63.196 63.200 -0.136 0.000 0.814 668 S HN 0.900 nan 8.310 nan 0.000 0.477 669 G N -0.309 108.390 108.800 -0.168 0.000 2.601 669 G HA2 0.576 4.531 3.960 -0.009 0.000 0.291 669 G HA3 0.576 4.531 3.960 -0.009 0.000 0.291 669 G C -2.074 172.752 174.900 -0.124 0.000 1.456 669 G CA -0.815 44.139 45.100 -0.244 0.000 0.804 669 G HN 0.436 nan 8.290 nan 0.000 0.499 670 L N 1.274 122.353 121.223 -0.239 0.000 2.448 670 L HA 0.438 4.772 4.340 -0.009 0.000 0.257 670 L C -2.505 174.271 176.870 -0.156 0.000 1.504 670 L CA -1.235 53.512 54.840 -0.155 0.000 0.852 670 L CB 1.874 43.874 42.059 -0.099 0.000 1.051 670 L HN 0.271 nan 8.230 nan 0.000 0.518 671 P HA -0.009 nan 4.420 nan 0.000 0.267 671 P C -1.150 176.182 177.300 0.052 0.000 1.200 671 P CA 0.158 63.247 63.100 -0.019 0.000 0.772 671 P CB 0.201 31.953 31.700 0.088 0.000 0.855 672 Y N 2.889 123.212 120.300 0.039 0.000 2.526 672 Y HA 0.340 4.885 4.550 -0.009 0.000 0.330 672 Y C 0.341 176.246 175.900 0.009 0.000 1.156 672 Y CA 0.848 58.957 58.100 0.015 0.000 1.419 672 Y CB 0.203 38.684 38.460 0.035 0.000 1.250 672 Y HN 0.550 nan 8.280 nan 0.000 0.540 673 S N 3.150 118.259 115.700 -0.985 0.000 2.611 673 S HA 0.668 5.133 4.470 -0.009 0.000 0.268 673 S C 0.158 174.246 174.600 -0.853 0.000 1.156 673 S CA -0.588 57.065 58.200 -0.911 0.000 0.817 673 S CB 0.817 63.786 63.200 -0.386 0.000 1.122 673 S HN 0.964 nan 8.310 nan 0.000 0.466 674 A N 0.945 123.459 122.820 -0.511 0.000 1.933 674 A HA 0.322 4.637 4.320 -0.009 0.000 0.218 674 A C 2.293 179.760 177.584 -0.195 0.000 1.175 674 A CA 2.016 53.892 52.037 -0.268 0.000 0.628 674 A CB -1.598 17.314 19.000 -0.146 0.000 0.814 674 A HN 1.602 nan 8.150 nan 0.000 0.444 675 A N 0.286 122.984 122.820 -0.203 0.000 1.877 675 A HA -0.189 4.126 4.320 -0.009 0.000 0.216 675 A C 1.925 179.406 177.584 -0.173 0.000 1.186 675 A CA 1.909 53.846 52.037 -0.168 0.000 0.620 675 A CB -0.604 18.292 19.000 -0.173 0.000 0.822 675 A HN 0.526 nan 8.150 nan 0.000 0.443 676 N N 0.365 118.936 118.700 -0.214 0.000 2.142 676 N HA -0.032 4.703 4.740 -0.009 0.000 0.186 676 N C 1.834 177.284 175.510 -0.100 0.000 1.023 676 N CA 1.494 54.435 53.050 -0.182 0.000 0.852 676 N CB -0.593 37.773 38.487 -0.201 0.000 0.998 676 N HN 0.442 nan 8.380 nan 0.000 0.424 677 A N 0.909 123.678 122.820 -0.084 0.000 1.940 677 A HA -0.158 4.157 4.320 -0.009 0.000 0.219 677 A C 2.260 179.864 177.584 0.033 0.000 1.176 677 A CA 1.713 53.767 52.037 0.029 0.000 0.631 677 A CB -0.411 18.653 19.000 0.108 0.000 0.814 677 A HN 0.198 nan 8.150 nan 0.000 0.446 678 R N -0.463 120.033 120.500 -0.007 0.000 2.090 678 R HA -0.002 4.332 4.340 -0.009 0.000 0.228 678 R C 1.845 178.143 176.300 -0.004 0.000 1.110 678 R CA 1.482 57.591 56.100 0.015 0.000 0.973 678 R CB -0.903 29.385 30.300 -0.020 0.000 0.869 678 R HN 0.414 nan 8.270 nan 0.000 0.440 679 L N 0.133 121.326 121.223 -0.050 0.000 1.989 679 L HA -0.083 4.252 4.340 -0.009 0.000 0.211 679 L C 2.015 178.887 176.870 0.003 0.000 1.071 679 L CA 1.737 56.542 54.840 -0.058 0.000 0.749 679 L CB -0.792 41.207 42.059 -0.099 0.000 0.890 679 L HN 0.363 nan 8.230 nan 0.000 0.431 680 L N -0.087 121.146 121.223 0.017 0.000 2.012 680 L HA -0.245 4.090 4.340 -0.009 0.000 0.210 680 L C 2.509 179.450 176.870 0.118 0.000 1.073 680 L CA 2.301 57.172 54.840 0.051 0.000 0.748 680 L CB -0.929 41.152 42.059 0.037 0.000 0.891 680 L HN 0.578 nan 8.230 nan 0.000 0.431 681 E N -0.551 119.745 120.200 0.160 0.000 2.049 681 E HA -0.313 4.032 4.350 -0.009 0.000 0.198 681 E C 2.344 179.210 176.600 0.442 0.000 1.007 681 E CA 1.741 58.325 56.400 0.307 0.000 0.809 681 E CB -0.158 29.734 29.700 0.320 0.000 0.749 681 E HN 0.488 nan 8.360 nan 0.000 0.450 682 R N -0.081 120.572 120.500 0.254 0.000 2.083 682 R HA -0.151 4.184 4.340 -0.009 0.000 0.237 682 R C 2.527 179.055 176.300 0.380 0.000 1.137 682 R CA 1.527 57.746 56.100 0.199 0.000 0.951 682 R CB -0.448 29.729 30.300 -0.205 0.000 0.851 682 R HN 0.144 nan 8.270 nan 0.000 0.434 683 V N 1.728 121.781 119.914 0.232 0.000 2.282 683 V HA -0.283 3.832 4.120 -0.009 0.000 0.249 683 V C 2.351 178.583 176.094 0.230 0.000 1.057 683 V CA 1.870 64.296 62.300 0.210 0.000 1.032 683 V CB -0.471 31.412 31.823 0.099 0.000 0.645 683 V HN 0.303 nan 8.190 nan 0.000 0.447 684 L N -1.591 119.748 121.223 0.193 0.000 2.012 684 L HA -0.202 4.133 4.340 -0.009 0.000 0.210 684 L C 2.412 179.324 176.870 0.070 0.000 1.073 684 L CA 1.848 56.737 54.840 0.082 0.000 0.748 684 L CB -0.662 41.396 42.059 -0.003 0.000 0.891 684 L HN 0.248 nan 8.230 nan 0.000 0.431 685 F N -1.457 118.618 119.950 0.208 0.000 2.146 685 F HA -0.240 4.282 4.527 -0.009 0.000 0.298 685 F C 2.537 178.386 175.800 0.081 0.000 1.096 685 F CA 1.505 59.621 58.000 0.194 0.000 1.275 685 F CB -0.583 38.626 39.000 0.347 0.000 1.008 685 F HN -0.053 nan 8.300 nan 0.000 0.480 686 Y N 0.463 120.876 120.300 0.187 0.000 2.200 686 Y HA -0.154 4.391 4.550 -0.009 0.000 0.290 686 Y C 2.337 178.172 175.900 -0.109 0.000 1.137 686 Y CA 1.207 59.274 58.100 -0.054 0.000 1.163 686 Y CB -0.534 37.981 38.460 0.092 0.000 0.988 686 Y HN -0.018 nan 8.280 nan 0.000 0.518 687 A N -0.552 122.322 122.820 0.089 0.000 1.969 687 A HA -0.145 4.170 4.320 -0.009 0.000 0.218 687 A C 2.076 179.566 177.584 -0.157 0.000 1.169 687 A CA 1.658 53.680 52.037 -0.025 0.000 0.635 687 A CB -1.052 17.991 19.000 0.071 0.000 0.810 687 A HN 0.511 nan 8.150 nan 0.000 0.445 688 S N -1.787 113.845 115.700 -0.113 0.000 2.679 688 S HA 0.144 4.609 4.470 -0.009 0.000 0.233 688 S C 0.261 174.834 174.600 -0.045 0.000 0.951 688 S CA 0.045 58.195 58.200 -0.084 0.000 0.973 688 S CB -0.643 62.522 63.200 -0.059 0.000 0.778 688 S HN 0.544 nan 8.310 nan 0.000 0.477 689 H N 0.948 119.909 119.070 -0.182 0.000 2.713 689 H HA -0.147 4.403 4.556 -0.009 0.000 0.311 689 H C -0.501 174.757 175.328 -0.116 0.000 1.175 689 H CA 1.080 57.006 56.048 -0.203 0.000 1.143 689 H CB -2.090 27.568 29.762 -0.173 0.000 1.434 689 H HN 0.715 nan 8.280 nan 0.000 0.418 690 N N -0.092 118.610 118.700 0.003 0.000 2.433 690 N HA 0.050 4.784 4.740 -0.009 0.000 0.270 690 N C 0.905 176.525 175.510 0.183 0.000 1.354 690 N CA -0.195 52.928 53.050 0.122 0.000 0.889 690 N CB 0.661 39.258 38.487 0.183 0.000 1.285 690 N HN 0.245 nan 8.380 nan 0.000 0.503 691 E N 0.866 121.021 120.200 -0.076 0.000 2.130 691 E HA -0.251 4.094 4.350 -0.009 0.000 0.196 691 E C 1.459 178.054 176.600 -0.009 0.000 0.998 691 E CA 1.447 57.682 56.400 -0.275 0.000 0.806 691 E CB 0.005 29.336 29.700 -0.615 0.000 0.738 691 E HN 0.497 nan 8.360 nan 0.000 0.459 692 D N 0.660 121.073 120.400 0.021 0.000 2.269 692 D HA -0.162 4.473 4.640 -0.009 0.000 0.208 692 D C 1.259 177.609 176.300 0.083 0.000 0.963 692 D CA 0.848 54.876 54.000 0.047 0.000 0.864 692 D CB -0.129 40.684 40.800 0.021 0.000 0.936 692 D HN 0.104 nan 8.370 nan 0.000 0.505 693 K N -1.032 119.468 120.400 0.167 0.000 2.459 693 K HA -0.039 4.276 4.320 -0.009 0.000 0.193 693 K C 1.578 178.231 176.600 0.089 0.000 1.030 693 K CA -0.006 56.406 56.287 0.208 0.000 1.026 693 K CB -0.079 32.655 32.500 0.390 0.000 0.809 693 K HN 0.167 nan 8.250 nan 0.000 0.504 694 Y N 0.818 121.004 120.300 -0.189 0.000 2.220 694 Y HA -0.137 4.408 4.550 -0.008 0.000 0.291 694 Y C 2.077 177.762 175.900 -0.358 0.000 1.129 694 Y CA 1.390 59.111 58.100 -0.633 0.000 1.161 694 Y CB -0.145 38.060 38.460 -0.426 0.000 0.997 694 Y HN 0.001 nan 8.280 nan 0.000 0.522 695 A N 1.376 124.083 122.820 -0.189 0.000 1.933 695 A HA 0.076 4.391 4.320 -0.009 0.000 0.218 695 A C 1.611 178.967 177.584 -0.380 0.000 1.175 695 A CA 0.775 52.654 52.037 -0.263 0.000 0.628 695 A CB -1.540 17.409 19.000 -0.085 0.000 0.814 695 A HN 0.531 nan 8.150 nan 0.000 0.444 696 A N -1.423 121.181 122.820 -0.360 0.000 2.526 696 A HA 0.323 4.638 4.320 -0.009 0.000 0.267 696 A C 0.127 177.429 177.584 -0.470 0.000 1.095 696 A CA 0.384 52.087 52.037 -0.557 0.000 0.775 696 A CB -1.501 17.241 19.000 -0.431 0.000 1.036 696 A HN 0.994 nan 8.150 nan 0.000 0.510 697 W N 0.711 121.821 121.300 -0.317 0.000 3.910 697 W HA -0.223 4.432 4.660 -0.009 0.000 0.355 697 W C 0.740 177.062 176.519 -0.329 0.000 1.359 697 W CA 0.417 57.555 57.345 -0.344 0.000 0.732 697 W CB -2.123 27.156 29.460 -0.301 0.000 2.472 697 W HN 1.120 nan 8.180 nan 0.000 1.296 698 S N -0.554 114.999 115.700 -0.244 0.000 2.638 698 S HA 0.799 5.264 4.470 -0.009 0.000 0.298 698 S C -0.168 174.321 174.600 -0.186 0.000 1.111 698 S CA -0.229 57.778 58.200 -0.321 0.000 1.027 698 S CB 2.250 65.085 63.200 -0.607 0.000 1.064 698 S HN 0.413 nan 8.310 nan 0.000 0.525 699 S N 1.130 116.743 115.700 -0.145 0.000 2.456 699 S HA 0.379 4.844 4.470 -0.009 0.000 0.316 699 S C 1.256 175.828 174.600 -0.046 0.000 1.089 699 S CA -0.158 57.997 58.200 -0.076 0.000 1.101 699 S CB 0.737 63.895 63.200 -0.070 0.000 0.995 699 S HN 1.061 nan 8.310 nan 0.000 0.468 700 S N 4.311 119.999 115.700 -0.021 0.000 2.383 700 S HA -0.126 4.339 4.470 -0.009 0.000 0.229 700 S C 0.847 175.442 174.600 -0.008 0.000 1.030 700 S CA 0.788 58.985 58.200 -0.006 0.000 1.002 700 S CB -0.602 62.601 63.200 0.004 0.000 0.829 700 S HN 0.734 nan 8.310 nan 0.000 0.467 701 N N 3.093 121.789 118.700 -0.007 0.000 2.430 701 N HA 0.240 4.975 4.740 -0.009 0.000 0.265 701 N C -1.915 173.581 175.510 -0.023 0.000 1.100 701 N CA -2.055 50.988 53.050 -0.012 0.000 0.961 701 N CB 1.548 40.034 38.487 -0.002 0.000 1.075 701 N HN 0.122 nan 8.380 nan 0.000 0.478 702 P HA -0.050 nan 4.420 nan 0.000 0.230 702 P C 0.294 177.570 177.300 -0.040 0.000 1.158 702 P CA 0.920 63.999 63.100 -0.035 0.000 0.769 702 P CB 0.515 32.184 31.700 -0.052 0.000 0.807 703 E N -0.945 119.233 120.200 -0.037 0.000 2.482 703 E HA 0.009 4.354 4.350 -0.009 0.000 0.196 703 E C 0.497 177.081 176.600 -0.027 0.000 1.047 703 E CA 0.359 56.739 56.400 -0.033 0.000 0.869 703 E CB -0.137 29.547 29.700 -0.026 0.000 0.836 703 E HN 0.309 nan 8.360 nan 0.000 0.520 704 C N 0.466 119.746 119.300 -0.034 0.000 2.529 704 C HA 0.581 5.035 4.460 -0.009 0.000 0.329 704 C C 0.335 175.291 174.990 -0.056 0.000 1.194 704 C CA -0.832 58.156 59.018 -0.051 0.000 1.779 704 C CB 1.837 29.539 27.740 -0.063 0.000 2.322 704 C HN 0.218 nan 8.230 nan 0.000 0.500 705 E N 0.019 120.175 120.200 -0.073 0.000 2.369 705 E HA 0.734 5.079 4.350 -0.009 0.000 0.270 705 E C -1.731 174.812 176.600 -0.094 0.000 0.909 705 E CA -0.428 55.931 56.400 -0.067 0.000 0.775 705 E CB 2.187 31.857 29.700 -0.050 0.000 1.270 705 E HN 0.445 nan 8.360 nan 0.000 0.445 706 V N 1.441 121.309 119.914 -0.077 0.000 2.540 706 V HA 0.700 4.815 4.120 -0.009 0.000 0.302 706 V C -0.805 175.240 176.094 -0.082 0.000 1.035 706 V CA -0.617 61.645 62.300 -0.064 0.000 0.873 706 V CB 1.543 33.349 31.823 -0.028 0.000 0.992 706 V HN 0.733 nan 8.190 nan 0.000 0.428 707 A N 3.569 126.323 122.820 -0.110 0.000 2.303 707 A HA 0.685 4.999 4.320 -0.009 0.000 0.320 707 A C -0.709 176.684 177.584 -0.319 0.000 1.192 707 A CA -0.479 51.405 52.037 -0.254 0.000 0.821 707 A CB 0.602 19.458 19.000 -0.240 0.000 1.188 707 A HN 0.974 nan 8.150 nan 0.000 0.492 708 H N 2.496 121.166 119.070 -0.667 0.000 2.505 708 H HA 0.591 5.141 4.556 -0.009 0.000 0.338 708 H C -1.927 172.936 175.328 -0.776 0.000 1.057 708 H CA -0.622 54.996 56.048 -0.716 0.000 1.202 708 H CB 0.847 29.907 29.762 -1.170 0.000 1.466 708 H HN 0.525 nan 8.280 nan 0.000 0.499 709 F N 7.424 126.983 119.950 -0.651 0.000 2.443 709 F HA 0.245 4.767 4.527 -0.009 0.000 0.369 709 F C -1.736 173.734 175.800 -0.550 0.000 1.090 709 F CA -1.918 55.800 58.000 -0.469 0.000 1.129 709 F CB 1.462 40.371 39.000 -0.151 0.000 1.367 709 F HN 0.473 nan 8.300 nan 0.000 0.465 710 P HA -0.187 nan 4.420 nan 0.000 0.214 710 P C 0.789 178.066 177.300 -0.039 0.000 1.162 710 P CA 1.644 64.598 63.100 -0.243 0.000 0.879 710 P CB 0.278 31.894 31.700 -0.139 0.000 0.786 711 E N -0.632 119.557 120.200 -0.019 0.000 2.501 711 E HA -0.176 4.169 4.350 -0.009 0.000 0.203 711 E C 1.022 177.634 176.600 0.020 0.000 1.072 711 E CA 0.784 57.193 56.400 0.015 0.000 0.885 711 E CB -0.444 29.266 29.700 0.017 0.000 0.813 711 E HN 0.384 nan 8.360 nan 0.000 0.556 712 Q N -1.404 118.412 119.800 0.028 0.000 2.127 712 Q HA 0.227 4.562 4.340 -0.009 0.000 0.222 712 Q C 0.655 176.686 176.000 0.052 0.000 0.794 712 Q CA 0.369 56.183 55.803 0.018 0.000 1.010 712 Q CB 1.448 30.170 28.738 -0.027 0.000 1.170 712 Q HN 0.224 nan 8.270 nan 0.000 0.479 713 G N 1.006 109.854 108.800 0.080 0.000 2.321 713 G HA2 -0.288 3.667 3.960 -0.009 0.000 0.287 713 G HA3 -0.288 3.667 3.960 -0.009 0.000 0.287 713 G C -0.301 174.713 174.900 0.189 0.000 1.018 713 G CA 0.633 45.814 45.100 0.135 0.000 0.855 713 G HN 0.279 nan 8.290 nan 0.000 0.507 714 L N -1.231 120.120 121.223 0.213 0.000 2.327 714 L HA 0.902 5.237 4.340 -0.009 0.000 0.258 714 L C -0.145 176.994 176.870 0.448 0.000 1.024 714 L CA -1.705 53.318 54.840 0.304 0.000 0.825 714 L CB 2.208 44.432 42.059 0.274 0.000 1.386 714 L HN 0.394 nan 8.230 nan 0.000 0.417 715 Y N 0.131 120.631 120.300 0.334 0.000 2.581 715 Y HA 0.690 5.235 4.550 -0.009 0.000 0.337 715 Y C -0.959 174.964 175.900 0.039 0.000 1.108 715 Y CA -1.710 56.518 58.100 0.212 0.000 1.033 715 Y CB 0.988 39.521 38.460 0.122 0.000 1.318 715 Y HN 0.728 nan 8.280 nan 0.000 0.459 716 C N 2.660 121.881 119.300 -0.132 0.000 2.779 716 C HA 0.939 5.394 4.460 -0.009 0.000 0.314 716 C C -1.083 173.709 174.990 -0.329 0.000 1.231 716 C CA -0.932 57.686 59.018 -0.666 0.000 1.652 716 C CB 1.153 27.916 27.740 -1.627 0.000 2.198 716 C HN 1.217 nan 8.230 nan 0.000 0.483 717 V N 3.765 123.408 119.914 -0.452 0.000 2.656 717 V HA 0.836 4.951 4.120 -0.009 0.000 0.307 717 V C -0.535 175.360 176.094 -0.332 0.000 1.051 717 V CA -0.554 61.526 62.300 -0.367 0.000 0.893 717 V CB 1.700 33.179 31.823 -0.574 0.000 0.999 717 V HN 1.117 nan 8.190 nan 0.000 0.426 718 I N 2.952 123.389 120.570 -0.222 0.000 2.647 718 I HA 0.654 4.818 4.170 -0.009 0.000 0.295 718 I C -0.816 175.243 176.117 -0.097 0.000 1.078 718 I CA -0.772 60.438 61.300 -0.151 0.000 1.048 718 I CB 2.210 40.124 38.000 -0.144 0.000 1.239 718 I HN 0.532 nan 8.210 nan 0.000 0.421 719 N N 3.636 122.306 118.700 -0.050 0.000 2.426 719 N HA 0.301 5.036 4.740 -0.009 0.000 0.257 719 N C -0.560 174.945 175.510 -0.010 0.000 1.002 719 N CA -0.280 52.759 53.050 -0.019 0.000 0.942 719 N CB 0.725 39.221 38.487 0.014 0.000 1.112 719 N HN 0.761 nan 8.380 nan 0.000 0.499 720 N N 1.190 119.885 118.700 -0.008 0.000 2.346 720 N HA 0.051 4.786 4.740 -0.009 0.000 0.225 720 N C -0.575 174.953 175.510 0.029 0.000 1.144 720 N CA -0.109 52.946 53.050 0.009 0.000 0.837 720 N CB 0.430 38.931 38.487 0.023 0.000 1.069 720 N HN 0.577 nan 8.380 nan 0.000 0.487 721 T N -3.202 111.369 114.554 0.029 0.000 2.883 721 T HA 0.217 4.562 4.350 -0.009 0.000 0.296 721 T C -0.057 174.672 174.700 0.049 0.000 1.117 721 T CA -0.947 61.174 62.100 0.036 0.000 1.006 721 T CB 1.601 70.481 68.868 0.020 0.000 1.191 721 T HN -0.008 nan 8.240 nan 0.000 0.508 722 D N -0.663 119.768 120.400 0.051 0.000 2.328 722 D HA 0.094 4.729 4.640 -0.009 0.000 0.226 722 D C 0.430 176.756 176.300 0.043 0.000 1.066 722 D CA -0.052 53.982 54.000 0.057 0.000 0.861 722 D CB 0.059 40.895 40.800 0.060 0.000 0.912 722 D HN 0.570 nan 8.370 nan 0.000 0.521 723 Q N 0.362 120.183 119.800 0.035 0.000 2.204 723 Q HA 0.434 4.768 4.340 -0.009 0.000 0.254 723 Q C -2.617 173.401 176.000 0.031 0.000 0.981 723 Q CA -2.336 53.484 55.803 0.029 0.000 0.897 723 Q CB 1.086 29.837 28.738 0.021 0.000 1.273 723 Q HN 0.029 nan 8.270 nan 0.000 0.464 724 P HA 0.091 nan 4.420 nan 0.000 0.280 724 P C -1.004 176.315 177.300 0.032 0.000 1.244 724 P CA -0.102 63.020 63.100 0.036 0.000 0.784 724 P CB 0.693 32.414 31.700 0.035 0.000 0.913 725 Q N 2.279 122.102 119.800 0.038 0.000 2.337 725 Q HA 0.325 4.659 4.340 -0.009 0.000 0.270 725 Q C -0.296 175.737 176.000 0.055 0.000 1.043 725 Q CA -0.690 55.133 55.803 0.034 0.000 0.794 725 Q CB 2.561 31.311 28.738 0.020 0.000 1.281 725 Q HN 0.411 nan 8.270 nan 0.000 0.446 726 K N 0.976 121.408 120.400 0.054 0.000 2.118 726 K HA 0.674 4.989 4.320 -0.009 0.000 0.267 726 K C -0.081 176.567 176.600 0.080 0.000 0.991 726 K CA -0.475 55.859 56.287 0.078 0.000 0.916 726 K CB 1.439 33.974 32.500 0.059 0.000 1.041 726 K HN 0.497 nan 8.250 nan 0.000 0.455 727 T N 0.511 115.144 114.554 0.131 0.000 2.957 727 T HA 0.223 4.568 4.350 -0.009 0.000 0.336 727 T C -1.425 173.395 174.700 0.200 0.000 1.462 727 T CA -0.516 61.656 62.100 0.120 0.000 1.073 727 T CB 1.677 70.584 68.868 0.065 0.000 1.319 727 T HN 0.521 nan 8.240 nan 0.000 0.485 728 T N 2.789 117.422 114.554 0.132 0.000 2.824 728 T HA 0.661 5.006 4.350 -0.009 0.000 0.280 728 T C -0.465 174.304 174.700 0.116 0.000 0.995 728 T CA -0.502 61.682 62.100 0.139 0.000 1.009 728 T CB 1.270 70.173 68.868 0.059 0.000 0.955 728 T HN 0.460 nan 8.240 nan 0.000 0.452 729 V N 3.169 123.186 119.914 0.172 0.000 2.513 729 V HA 0.531 4.646 4.120 -0.009 0.000 0.299 729 V C 0.116 176.181 176.094 -0.049 0.000 1.035 729 V CA -0.755 61.585 62.300 0.066 0.000 0.889 729 V CB 2.098 34.019 31.823 0.163 0.000 0.988 729 V HN 0.982 nan 8.190 nan 0.000 0.440 730 T N 5.910 120.360 114.554 -0.173 0.000 2.791 730 T HA 0.531 4.876 4.350 -0.009 0.000 0.288 730 T C -0.148 174.250 174.700 -0.503 0.000 0.999 730 T CA -0.392 61.551 62.100 -0.262 0.000 0.952 730 T CB 0.689 69.423 68.868 -0.223 0.000 0.938 730 T HN 0.261 nan 8.240 nan 0.000 0.444 731 L N 1.765 122.641 121.223 -0.578 0.000 2.490 731 L HA 0.405 4.740 4.340 -0.009 0.000 0.245 731 L C 2.000 178.189 176.870 -1.134 0.000 1.185 731 L CA -0.468 53.733 54.840 -1.064 0.000 0.813 731 L CB -0.143 41.562 42.059 -0.590 0.000 1.233 731 L HN 0.738 nan 8.230 nan 0.000 0.489 732 A N 0.100 122.064 122.820 -1.427 0.000 2.178 732 A HA -0.178 4.137 4.320 -0.009 0.000 0.218 732 A C 1.369 178.719 177.584 -0.389 0.000 1.157 732 A CA 1.686 53.232 52.037 -0.818 0.000 0.689 732 A CB -0.699 18.064 19.000 -0.395 0.000 0.787 732 A HN 0.919 nan 8.150 nan 0.000 0.465 733 D N -3.194 117.008 120.400 -0.329 0.000 2.652 733 D HA 0.363 4.998 4.640 -0.009 0.000 0.261 733 D C 1.321 177.520 176.300 -0.170 0.000 1.024 733 D CA 1.211 55.100 54.000 -0.184 0.000 0.958 733 D CB -0.499 40.230 40.800 -0.119 0.000 1.113 733 D HN 0.484 nan 8.370 nan 0.000 0.471 734 G N -0.769 107.919 108.800 -0.185 0.000 3.987 734 G HA2 -0.018 3.936 3.960 -0.009 0.000 0.220 734 G HA3 -0.018 3.936 3.960 -0.009 0.000 0.220 734 G C 0.174 175.003 174.900 -0.118 0.000 0.871 734 G CA 0.100 45.116 45.100 -0.140 0.000 0.881 734 G HN 0.544 nan 8.290 nan 0.000 0.674 735 T N 1.173 115.655 114.554 -0.120 0.000 2.926 735 T HA 0.490 4.835 4.350 -0.009 0.000 0.307 735 T C 0.447 175.095 174.700 -0.087 0.000 1.059 735 T CA 0.731 62.782 62.100 -0.081 0.000 1.122 735 T CB 1.605 70.441 68.868 -0.053 0.000 0.972 735 T HN 0.968 nan 8.240 nan 0.000 0.545 736 T N -0.267 114.260 114.554 -0.045 0.000 2.887 736 T HA 0.599 4.944 4.350 -0.009 0.000 0.288 736 T C -1.084 173.622 174.700 0.010 0.000 1.021 736 T CA -1.095 60.991 62.100 -0.023 0.000 1.000 736 T CB 1.782 70.638 68.868 -0.020 0.000 1.034 736 T HN 0.736 nan 8.240 nan 0.000 0.467 737 E N 2.407 122.643 120.200 0.060 0.000 2.256 737 E HA 0.460 4.805 4.350 -0.009 0.000 0.268 737 E C -1.469 175.122 176.600 -0.015 0.000 0.877 737 E CA -0.819 55.591 56.400 0.015 0.000 0.757 737 E CB 2.075 31.844 29.700 0.116 0.000 1.183 737 E HN 0.690 nan 8.360 nan 0.000 0.418 738 D N 1.072 121.358 120.400 -0.190 0.000 2.268 738 D HA 0.571 5.205 4.640 -0.009 0.000 0.249 738 D C -1.081 174.987 176.300 -0.387 0.000 1.008 738 D CA -0.153 53.782 54.000 -0.110 0.000 0.939 738 D CB 1.012 41.785 40.800 -0.046 0.000 1.170 738 D HN 0.212 nan 8.370 nan 0.000 0.468 739 F N 0.342 120.318 119.950 0.043 0.000 2.574 739 F HA 0.252 4.774 4.527 -0.009 0.000 0.313 739 F C -0.613 175.207 175.800 0.032 0.000 1.130 739 F CA -0.960 57.066 58.000 0.044 0.000 0.936 739 F CB 2.006 41.036 39.000 0.051 0.000 1.219 739 F HN 0.093 nan 8.300 nan 0.000 0.445 740 D N 3.939 124.457 120.400 0.195 0.000 2.344 740 D HA 0.502 5.137 4.640 -0.009 0.000 0.239 740 D C -1.185 175.205 176.300 0.150 0.000 1.064 740 D CA -0.108 53.974 54.000 0.137 0.000 0.829 740 D CB 1.370 42.218 40.800 0.080 0.000 1.129 740 D HN 0.462 nan 8.370 nan 0.000 0.506 741 L N 5.850 127.147 121.223 0.122 0.000 2.333 741 L HA 0.446 4.781 4.340 -0.009 0.000 0.280 741 L C -2.051 174.863 176.870 0.075 0.000 1.004 741 L CA -1.748 53.153 54.840 0.102 0.000 0.820 741 L CB 2.333 44.434 42.059 0.069 0.000 1.247 741 L HN 0.213 nan 8.230 nan 0.000 0.416 742 P HA 0.025 nan 4.420 nan 0.000 0.276 742 P C -0.880 176.456 177.300 0.059 0.000 1.252 742 P CA -0.470 62.666 63.100 0.060 0.000 0.802 742 P CB 0.537 32.272 31.700 0.059 0.000 1.035 743 D N 0.951 121.380 120.400 0.050 0.000 4.723 743 D HA -0.181 4.454 4.640 -0.009 0.000 0.184 743 D C -0.143 176.204 176.300 0.079 0.000 1.137 743 D CA 1.188 55.221 54.000 0.054 0.000 0.724 743 D CB -0.738 40.086 40.800 0.041 0.000 1.242 743 D HN 0.357 nan 8.370 nan 0.000 0.678 744 S N 1.290 117.045 115.700 0.092 0.000 3.533 744 S HA -0.151 4.314 4.470 -0.009 0.000 0.347 744 S C 0.755 175.457 174.600 0.171 0.000 1.101 744 S CA 0.460 58.742 58.200 0.136 0.000 1.009 744 S CB -1.842 61.475 63.200 0.195 0.000 0.916 744 S HN 0.949 nan 8.310 nan 0.000 0.496 745 G N -0.121 108.752 108.800 0.121 0.000 2.562 745 G HA2 0.690 4.645 3.960 -0.009 0.000 0.275 745 G HA3 0.690 4.645 3.960 -0.009 0.000 0.275 745 G C -0.299 174.659 174.900 0.096 0.000 1.196 745 G CA -0.369 44.812 45.100 0.134 0.000 0.908 745 G HN 0.562 nan 8.290 nan 0.000 0.524 746 I N -1.022 119.611 120.570 0.105 0.000 3.191 746 I HA 0.778 4.943 4.170 -0.009 0.000 0.313 746 I C -0.866 175.247 176.117 -0.006 0.000 1.193 746 I CA -1.146 60.154 61.300 -0.000 0.000 0.968 746 I CB 2.287 40.336 38.000 0.081 0.000 1.262 746 I HN 0.828 nan 8.210 nan 0.000 0.456 747 A N 3.342 126.040 122.820 -0.203 0.000 2.577 747 A HA 0.642 4.957 4.320 -0.009 0.000 0.297 747 A C -2.515 174.895 177.584 -0.291 0.000 1.060 747 A CA -0.354 51.649 52.037 -0.057 0.000 0.697 747 A CB 0.740 19.797 19.000 0.094 0.000 1.281 747 A HN 0.654 nan 8.150 nan 0.000 0.402 748 W N 1.734 123.029 121.300 -0.009 0.000 2.666 748 W HA 0.836 5.491 4.660 -0.008 0.000 0.334 748 W C 0.399 176.836 176.519 -0.135 0.000 1.051 748 W CA -0.290 56.990 57.345 -0.108 0.000 1.224 748 W CB 1.739 31.158 29.460 -0.069 0.000 1.405 748 W HN 0.710 nan 8.180 nan 0.000 0.513 749 R N 0.814 121.240 120.500 -0.124 0.000 2.906 749 R HA 0.531 4.866 4.340 -0.009 0.000 0.258 749 R C -0.733 175.575 176.300 0.013 0.000 1.156 749 R CA -1.197 54.837 56.100 -0.109 0.000 0.996 749 R CB 1.379 31.543 30.300 -0.226 0.000 1.259 749 R HN 0.550 nan 8.270 nan 0.000 0.462 750 E N 0.000 120.301 120.200 0.169 0.000 2.725 750 E HA 0.000 4.345 4.350 -0.009 0.000 0.291 750 E CA 0.000 56.543 56.400 0.238 0.000 0.976 750 E CB 0.000 29.800 29.700 0.167 0.000 0.812 750 E HN 0.000 nan 8.360 nan 0.000 0.440