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 13pk_1_B DATA FIRST_RESID 5 DATA SEQUENCE EKKSINECDL KGKKVLIRVD FNVPVKNGKI TNDYRIRSAL PTLKKVLTEG DATA SEQUENCE GSCVLMSHLG RPKGIPMAQA GKIRSTGGVP GFQQKATLKP VAKRLSELLL DATA SEQUENCE RPVTFAPDCL NAADVVSKMS PGDVVLLENV RFYKEEGSKK AKDREAMAKI DATA SEQUENCE LASYGDVYIS DAFGTAHRDS ATMTGIPKIL GNGAAGYLME KEISYFAKVL DATA SEQUENCE GNPPRPLVAI VGGAKVSDKI QLLDNMLQRI DYLLIGGAMA YTFLKAQGYS DATA SEQUENCE IGKSKCEESK LEFARSLLKK AEDRKVQVIL PIDHVCHTEF KAVDSPLITE DATA SEQUENCE DQNIPEGHMA LDIGPKTIEK YVQTIGKCKS AIWNGPMGVF EMVPYSKGTF DATA SEQUENCE AIAKAMGRGT HEHGLMSIIG GGDSASAAEL SGEAKRMSHV STGGGASLEL DATA SEQUENCE LEGKTLPGVT VLDDK 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.626 176.600 0.043 0.000 1.382 5 E CA 0.000 56.424 56.400 0.040 0.000 0.976 5 E CB 0.000 29.719 29.700 0.032 0.000 0.812 6 K N 1.551 121.983 120.400 0.052 0.000 2.120 6 K HA 0.302 4.622 4.320 -0.000 0.000 0.245 6 K C 0.155 176.787 176.600 0.052 0.000 1.024 6 K CA -0.532 55.788 56.287 0.055 0.000 0.906 6 K CB 0.618 33.158 32.500 0.067 0.000 1.051 6 K HN 0.402 nan 8.250 nan 0.000 0.491 7 K N 0.493 120.923 120.400 0.050 0.000 2.185 7 K HA 0.101 4.421 4.320 -0.000 0.000 0.271 7 K C -0.016 176.611 176.600 0.045 0.000 1.013 7 K CA -0.118 56.196 56.287 0.045 0.000 0.943 7 K CB 0.950 33.474 32.500 0.040 0.000 0.998 7 K HN 0.537 nan 8.250 nan 0.000 0.468 8 S N 2.552 118.279 115.700 0.045 0.000 2.722 8 S HA 0.262 4.732 4.470 -0.000 0.000 0.292 8 S C 1.559 176.158 174.600 -0.002 0.000 1.135 8 S CA -0.863 57.361 58.200 0.041 0.000 1.003 8 S CB 0.549 63.810 63.200 0.101 0.000 1.067 8 S HN 0.602 nan 8.310 nan 0.000 0.546 9 I N 1.526 122.045 120.570 -0.084 0.000 2.264 9 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 9 I C 1.950 178.041 176.117 -0.043 0.000 1.111 9 I CA 1.500 62.717 61.300 -0.138 0.000 1.382 9 I CB -1.041 36.751 38.000 -0.347 0.000 1.060 9 I HN 0.610 nan 8.210 nan 0.000 0.418 10 N N 1.075 119.798 118.700 0.039 0.000 2.137 10 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 10 N C 1.451 176.992 175.510 0.052 0.000 1.017 10 N CA 1.388 54.493 53.050 0.091 0.000 0.859 10 N CB -0.101 38.476 38.487 0.150 0.000 1.002 10 N HN 0.403 nan 8.380 nan 0.000 0.428 11 E N -0.519 119.705 120.200 0.040 0.000 2.489 11 E HA 0.107 4.457 4.350 -0.000 0.000 0.193 11 E C -0.431 176.182 176.600 0.021 0.000 1.057 11 E CA 0.027 56.445 56.400 0.031 0.000 0.866 11 E CB 0.201 29.920 29.700 0.032 0.000 0.916 11 E HN 0.316 nan 8.360 nan 0.000 0.500 12 C N 0.891 120.198 119.300 0.012 0.000 2.364 12 C HA 0.356 4.816 4.460 -0.000 0.000 0.356 12 C C 0.248 175.242 174.990 0.008 0.000 1.201 12 C CA -1.374 57.648 59.018 0.007 0.000 2.227 12 C CB 0.726 28.462 27.740 -0.006 0.000 2.387 12 C HN 0.238 nan 8.230 nan 0.000 0.546 13 D N 1.101 121.507 120.400 0.009 0.000 2.347 13 D HA 0.373 5.012 4.640 -0.000 0.000 0.235 13 D C 0.328 176.631 176.300 0.006 0.000 1.149 13 D CA -0.126 53.880 54.000 0.010 0.000 0.850 13 D CB 0.491 41.298 40.800 0.012 0.000 1.061 13 D HN 0.500 nan 8.370 nan 0.000 0.487 14 L N 2.415 123.640 121.223 0.003 0.000 2.575 14 L HA 0.212 4.552 4.340 -0.000 0.000 0.228 14 L C 1.007 177.879 176.870 0.003 0.000 1.075 14 L CA -0.413 54.427 54.840 -0.001 0.000 0.867 14 L CB -0.163 41.889 42.059 -0.010 0.000 1.097 14 L HN 0.192 nan 8.230 nan 0.000 0.485 15 K N 1.724 122.128 120.400 0.007 0.000 2.504 15 K HA 0.072 4.392 4.320 -0.000 0.000 0.278 15 K C 1.206 177.811 176.600 0.008 0.000 1.025 15 K CA 1.098 57.390 56.287 0.008 0.000 1.093 15 K CB -0.016 32.490 32.500 0.009 0.000 0.873 15 K HN 0.273 nan 8.250 nan 0.000 0.483 16 G N 3.233 112.038 108.800 0.008 0.000 2.212 16 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.267 16 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.267 16 G C -0.396 174.510 174.900 0.010 0.000 1.002 16 G CA 0.937 46.042 45.100 0.009 0.000 0.729 16 G HN 0.575 nan 8.290 nan 0.000 0.517 17 K N -0.121 120.284 120.400 0.009 0.000 2.156 17 K HA 0.454 4.774 4.320 -0.000 0.000 0.254 17 K C 0.060 176.667 176.600 0.012 0.000 0.950 17 K CA -0.825 55.469 56.287 0.012 0.000 0.849 17 K CB 1.555 34.062 32.500 0.012 0.000 1.100 17 K HN 0.078 nan 8.250 nan 0.000 0.434 18 K N 2.012 122.424 120.400 0.020 0.000 2.284 18 K HA 0.180 4.499 4.320 -0.000 0.000 0.287 18 K C -0.627 175.989 176.600 0.026 0.000 1.081 18 K CA -0.391 55.909 56.287 0.023 0.000 0.910 18 K CB 0.844 33.365 32.500 0.036 0.000 1.088 18 K HN 0.237 nan 8.250 nan 0.000 0.478 19 V N 4.933 124.852 119.914 0.008 0.000 2.383 19 V HA 0.149 4.269 4.120 -0.000 0.000 0.275 19 V C -0.153 175.933 176.094 -0.013 0.000 1.036 19 V CA -0.947 61.348 62.300 -0.008 0.000 0.889 19 V CB 0.926 32.724 31.823 -0.041 0.000 0.985 19 V HN 0.511 nan 8.190 nan 0.000 0.459 20 L N 6.805 128.032 121.223 0.007 0.000 2.283 20 L HA 0.479 4.819 4.340 -0.000 0.000 0.287 20 L C -0.116 176.650 176.870 -0.174 0.000 1.073 20 L CA 0.349 55.202 54.840 0.020 0.000 0.822 20 L CB 0.496 42.673 42.059 0.196 0.000 1.186 20 L HN 0.476 nan 8.230 nan 0.000 0.436 21 I N 4.305 124.770 120.570 -0.175 0.000 2.389 21 I HA 0.409 4.579 4.170 -0.000 0.000 0.288 21 I C 0.168 176.139 176.117 -0.244 0.000 0.999 21 I CA -0.889 60.242 61.300 -0.282 0.000 1.129 21 I CB 1.562 39.437 38.000 -0.208 0.000 1.288 21 I HN 0.364 nan 8.210 nan 0.000 0.444 22 R N 6.437 126.766 120.500 -0.285 0.000 2.204 22 R HA 0.462 4.802 4.340 -0.000 0.000 0.341 22 R C -0.836 175.352 176.300 -0.187 0.000 1.035 22 R CA -0.360 55.652 56.100 -0.148 0.000 0.887 22 R CB 0.886 31.186 30.300 0.001 0.000 1.114 22 R HN 0.595 nan 8.270 nan 0.000 0.473 23 V N 0.125 119.857 119.914 -0.302 0.000 3.093 23 V HA 0.517 4.636 4.120 -0.000 0.000 0.320 23 V C -0.150 175.740 176.094 -0.341 0.000 1.093 23 V CA -1.055 60.999 62.300 -0.410 0.000 1.016 23 V CB 2.123 33.398 31.823 -0.914 0.000 1.096 23 V HN 0.479 nan 8.190 nan 0.000 0.452 24 D N 1.280 121.568 120.400 -0.186 0.000 2.485 24 D HA 0.390 5.030 4.640 -0.000 0.000 0.229 24 D C -0.509 175.877 176.300 0.143 0.000 1.101 24 D CA -0.501 53.472 54.000 -0.046 0.000 0.906 24 D CB 0.484 41.318 40.800 0.058 0.000 1.019 24 D HN 0.439 nan 8.370 nan 0.000 0.516 25 F N 1.758 121.636 119.950 -0.121 0.000 2.750 25 F HA 0.210 4.737 4.527 -0.000 0.000 0.297 25 F C 1.177 176.894 175.800 -0.139 0.000 1.138 25 F CA -0.787 57.151 58.000 -0.102 0.000 1.346 25 F CB -0.822 38.134 39.000 -0.073 0.000 0.965 25 F HN 0.250 nan 8.300 nan 0.000 0.514 26 N N 1.998 120.678 118.700 -0.033 0.000 3.103 26 N HA 0.081 4.821 4.740 -0.000 0.000 0.305 26 N C -0.278 175.234 175.510 0.003 0.000 1.232 26 N CA 0.092 53.083 53.050 -0.099 0.000 1.190 26 N CB -0.149 38.208 38.487 -0.216 0.000 1.461 26 N HN 0.050 nan 8.380 nan 0.000 0.538 27 V N 0.173 120.097 119.914 0.016 0.000 2.834 27 V HA 0.607 4.726 4.120 -0.000 0.000 0.301 27 V C -2.155 173.955 176.094 0.028 0.000 1.066 27 V CA -2.206 60.109 62.300 0.024 0.000 1.052 27 V CB 0.767 32.584 31.823 -0.009 0.000 1.021 27 V HN 0.251 nan 8.190 nan 0.000 0.480 28 P HA 0.323 nan 4.420 nan 0.000 0.267 28 P C -0.553 176.768 177.300 0.034 0.000 1.209 28 P CA 0.139 63.272 63.100 0.055 0.000 0.763 28 P CB 0.777 32.527 31.700 0.085 0.000 0.816 29 V N 0.939 120.869 119.914 0.027 0.000 2.735 29 V HA 0.696 4.816 4.120 -0.000 0.000 0.310 29 V C -0.590 175.512 176.094 0.014 0.000 1.061 29 V CA -0.939 61.369 62.300 0.012 0.000 0.913 29 V CB 2.429 34.254 31.823 0.002 0.000 1.005 29 V HN 0.376 nan 8.190 nan 0.000 0.428 30 K N 2.949 123.353 120.400 0.008 0.000 2.507 30 K HA 0.467 4.787 4.320 -0.000 0.000 0.251 30 K C -0.104 176.498 176.600 0.004 0.000 0.943 30 K CA -0.407 55.884 56.287 0.006 0.000 0.794 30 K CB 1.237 33.739 32.500 0.003 0.000 1.188 30 K HN 0.994 nan 8.250 nan 0.000 0.428 31 N N 2.870 121.572 118.700 0.005 0.000 2.727 31 N HA -0.233 4.506 4.740 -0.000 0.000 0.249 31 N C 0.362 175.875 175.510 0.005 0.000 1.048 31 N CA 0.786 53.840 53.050 0.005 0.000 0.714 31 N CB -0.887 37.603 38.487 0.006 0.000 0.959 31 N HN 1.067 nan 8.380 nan 0.000 0.544 32 G N -0.915 107.888 108.800 0.004 0.000 2.155 32 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.257 32 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.257 32 G C -0.174 174.722 174.900 -0.007 0.000 0.983 32 G CA 0.990 46.091 45.100 0.003 0.000 0.676 32 G HN 0.519 nan 8.290 nan 0.000 0.528 33 K N -0.364 120.031 120.400 -0.008 0.000 2.375 33 K HA 0.633 4.953 4.320 -0.000 0.000 0.249 33 K C 0.090 176.682 176.600 -0.013 0.000 0.942 33 K CA -1.194 55.084 56.287 -0.015 0.000 0.806 33 K CB 2.174 34.668 32.500 -0.010 0.000 1.227 33 K HN 0.135 nan 8.250 nan 0.000 0.430 34 I N 2.122 122.678 120.570 -0.023 0.000 2.533 34 I HA -0.075 4.095 4.170 -0.000 0.000 0.284 34 I C 1.593 177.708 176.117 -0.002 0.000 1.109 34 I CA 0.232 61.521 61.300 -0.019 0.000 1.412 34 I CB 0.730 38.705 38.000 -0.042 0.000 1.396 34 I HN 0.825 nan 8.210 nan 0.000 0.543 35 T N 1.088 115.651 114.554 0.015 0.000 3.044 35 T HA 0.088 4.438 4.350 -0.000 0.000 0.250 35 T C 0.566 175.294 174.700 0.046 0.000 1.081 35 T CA -0.113 62.005 62.100 0.029 0.000 1.040 35 T CB 0.058 68.947 68.868 0.034 0.000 0.962 35 T HN 0.619 nan 8.240 nan 0.000 0.506 36 N N 1.297 120.025 118.700 0.046 0.000 2.537 36 N HA 0.108 4.848 4.740 -0.000 0.000 0.281 36 N C -1.894 173.648 175.510 0.053 0.000 1.097 36 N CA -0.246 52.841 53.050 0.062 0.000 0.964 36 N CB 2.131 40.670 38.487 0.087 0.000 1.588 36 N HN 0.247 nan 8.380 nan 0.000 0.511 37 D N 2.727 123.154 120.400 0.045 0.000 2.559 37 D HA -0.004 4.636 4.640 -0.000 0.000 0.234 37 D C 1.102 177.429 176.300 0.045 0.000 1.226 37 D CA -0.340 53.662 54.000 0.004 0.000 0.830 37 D CB -0.444 40.322 40.800 -0.057 0.000 1.028 37 D HN 0.492 nan 8.370 nan 0.000 0.492 38 Y N 2.002 122.288 120.300 -0.022 0.000 2.207 38 Y HA -0.162 4.388 4.550 -0.000 0.000 0.287 38 Y C 1.932 177.835 175.900 0.005 0.000 1.156 38 Y CA 1.732 59.825 58.100 -0.012 0.000 1.182 38 Y CB 0.060 38.513 38.460 -0.011 0.000 0.979 38 Y HN -0.078 nan 8.280 nan 0.000 0.521 39 R N -0.327 120.170 120.500 -0.005 0.000 2.115 39 R HA -0.093 4.247 4.340 -0.000 0.000 0.230 39 R C 2.210 178.499 176.300 -0.019 0.000 1.111 39 R CA 1.653 57.727 56.100 -0.044 0.000 0.976 39 R CB -0.256 30.095 30.300 0.085 0.000 0.870 39 R HN 0.419 nan 8.270 nan 0.000 0.445 40 I N -0.024 120.477 120.570 -0.114 0.000 2.277 40 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 40 I C 2.311 178.351 176.117 -0.127 0.000 1.094 40 I CA 1.058 62.198 61.300 -0.266 0.000 1.393 40 I CB -0.246 37.464 38.000 -0.484 0.000 1.078 40 I HN 0.084 nan 8.210 nan 0.000 0.417 41 R N 0.557 120.982 120.500 -0.124 0.000 2.105 41 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 41 R C 2.401 178.636 176.300 -0.108 0.000 1.135 41 R CA 1.659 57.705 56.100 -0.091 0.000 0.967 41 R CB -0.330 29.937 30.300 -0.056 0.000 0.861 41 R HN 0.268 nan 8.270 nan 0.000 0.442 42 S N 0.191 115.761 115.700 -0.216 0.000 2.447 42 S HA -0.062 4.408 4.470 -0.000 0.000 0.233 42 S C 1.713 176.288 174.600 -0.041 0.000 1.006 42 S CA 1.039 59.111 58.200 -0.214 0.000 0.957 42 S CB 0.182 63.132 63.200 -0.416 0.000 0.773 42 S HN 0.451 nan 8.310 nan 0.000 0.507 43 A N 0.748 123.595 122.820 0.045 0.000 2.195 43 A HA 0.327 4.646 4.320 -0.000 0.000 0.210 43 A C 1.815 179.461 177.584 0.103 0.000 1.165 43 A CA 0.029 52.139 52.037 0.121 0.000 0.806 43 A CB -0.361 18.825 19.000 0.310 0.000 0.847 43 A HN 0.411 nan 8.150 nan 0.000 0.482 44 L N -0.161 121.103 121.223 0.068 0.000 2.013 44 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 44 L C -0.375 176.539 176.870 0.074 0.000 1.073 44 L CA 1.854 56.729 54.840 0.059 0.000 0.753 44 L CB -1.789 40.287 42.059 0.028 0.000 0.890 44 L HN 0.215 nan 8.230 nan 0.000 0.432 45 P HA -0.179 nan 4.420 nan 0.000 0.215 45 P C 1.683 179.101 177.300 0.197 0.000 1.163 45 P CA 1.745 64.949 63.100 0.174 0.000 0.894 45 P CB -0.083 31.753 31.700 0.226 0.000 0.791 46 T N -0.447 114.170 114.554 0.105 0.000 2.746 46 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 46 T C 1.722 176.391 174.700 -0.051 0.000 1.039 46 T CA 1.095 63.140 62.100 -0.091 0.000 1.142 46 T CB -0.903 67.880 68.868 -0.141 0.000 0.866 46 T HN 0.047 nan 8.240 nan 0.000 0.444 47 L N 0.684 121.911 121.223 0.006 0.000 2.083 47 L HA -0.073 4.266 4.340 -0.000 0.000 0.209 47 L C 2.734 179.618 176.870 0.023 0.000 1.083 47 L CA 1.280 56.129 54.840 0.015 0.000 0.752 47 L CB -0.539 41.552 42.059 0.053 0.000 0.899 47 L HN 0.233 nan 8.230 nan 0.000 0.433 48 K N 0.461 120.888 120.400 0.046 0.000 2.026 48 K HA -0.222 4.097 4.320 -0.000 0.000 0.208 48 K C 2.333 178.964 176.600 0.052 0.000 1.048 48 K CA 1.246 57.564 56.287 0.052 0.000 0.929 48 K CB 0.049 32.590 32.500 0.069 0.000 0.713 48 K HN 0.033 nan 8.250 nan 0.000 0.439 49 K N 1.038 121.477 120.400 0.066 0.000 1.991 49 K HA -0.148 4.172 4.320 -0.000 0.000 0.212 49 K C 2.111 178.718 176.600 0.012 0.000 1.049 49 K CA 1.632 57.956 56.287 0.060 0.000 0.932 49 K CB -0.797 31.721 32.500 0.031 0.000 0.717 49 K HN 0.192 nan 8.250 nan 0.000 0.441 50 V N 1.391 121.292 119.914 -0.022 0.000 2.392 50 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 50 V C 2.299 178.392 176.094 -0.002 0.000 1.059 50 V CA 1.540 63.827 62.300 -0.022 0.000 1.051 50 V CB -0.232 31.567 31.823 -0.039 0.000 0.658 50 V HN 0.303 nan 8.190 nan 0.000 0.455 51 L N -0.106 121.122 121.223 0.007 0.000 2.056 51 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 51 L C 2.736 179.615 176.870 0.016 0.000 1.078 51 L CA 2.197 57.044 54.840 0.013 0.000 0.749 51 L CB -1.048 41.021 42.059 0.017 0.000 0.901 51 L HN 0.328 nan 8.230 nan 0.000 0.433 52 T N -0.874 113.693 114.554 0.022 0.000 2.788 52 T HA -0.133 4.216 4.350 -0.000 0.000 0.268 52 T C 1.606 176.319 174.700 0.022 0.000 1.044 52 T CA 1.043 63.158 62.100 0.025 0.000 1.139 52 T CB -0.073 68.817 68.868 0.036 0.000 0.867 52 T HN 0.258 nan 8.240 nan 0.000 0.454 53 E N 0.168 120.380 120.200 0.019 0.000 2.511 53 E HA 0.133 4.483 4.350 -0.000 0.000 0.196 53 E C 1.523 178.130 176.600 0.011 0.000 1.066 53 E CA 0.420 56.830 56.400 0.016 0.000 0.871 53 E CB -0.117 29.590 29.700 0.012 0.000 0.863 53 E HN 0.597 nan 8.360 nan 0.000 0.520 54 G N 0.766 109.573 108.800 0.010 0.000 2.132 54 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.234 54 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.234 54 G C 0.560 175.464 174.900 0.006 0.000 0.989 54 G CA 0.078 45.184 45.100 0.009 0.000 0.676 54 G HN 0.532 nan 8.290 nan 0.000 0.522 55 G N -0.582 108.221 108.800 0.004 0.000 2.583 55 G HA2 0.880 4.840 3.960 -0.000 0.000 0.280 55 G HA3 0.880 4.840 3.960 -0.000 0.000 0.280 55 G C 0.195 175.096 174.900 0.002 0.000 1.376 55 G CA 0.509 45.610 45.100 0.001 0.000 1.043 55 G HN 1.648 nan 8.290 nan 0.000 0.538 56 S N -2.529 113.171 115.700 0.000 0.000 2.570 56 S HA 0.593 5.062 4.470 -0.000 0.000 0.286 56 S C -0.977 173.621 174.600 -0.004 0.000 1.099 56 S CA -0.802 57.398 58.200 0.001 0.000 0.913 56 S CB 1.412 64.613 63.200 0.001 0.000 1.085 56 S HN 0.738 nan 8.310 nan 0.000 0.480 57 C N 1.942 121.240 119.300 -0.002 0.000 2.351 57 C HA 0.828 5.288 4.460 -0.000 0.000 0.326 57 C C 0.101 175.087 174.990 -0.007 0.000 1.272 57 C CA -0.743 58.270 59.018 -0.007 0.000 1.650 57 C CB 0.546 28.286 27.740 -0.001 0.000 2.257 57 C HN 0.846 nan 8.230 nan 0.000 0.505 58 V N 6.465 126.372 119.914 -0.012 0.000 2.357 58 V HA 0.534 4.654 4.120 -0.000 0.000 0.281 58 V C -0.646 175.441 176.094 -0.012 0.000 1.015 58 V CA -0.201 62.089 62.300 -0.016 0.000 0.827 58 V CB 0.513 32.325 31.823 -0.019 0.000 1.018 58 V HN 0.811 nan 8.190 nan 0.000 0.432 59 L N 7.015 128.229 121.223 -0.015 0.000 2.334 59 L HA 0.647 4.987 4.340 -0.000 0.000 0.277 59 L C -0.038 176.809 176.870 -0.037 0.000 1.075 59 L CA -0.348 54.460 54.840 -0.055 0.000 0.804 59 L CB 1.560 43.588 42.059 -0.052 0.000 1.174 59 L HN 0.525 nan 8.230 nan 0.000 0.438 60 M N 2.628 122.186 119.600 -0.070 0.000 2.326 60 M HA 0.555 5.035 4.480 -0.000 0.000 0.306 60 M C -0.478 175.776 176.300 -0.077 0.000 1.054 60 M CA -0.100 55.190 55.300 -0.017 0.000 0.922 60 M CB 2.272 34.903 32.600 0.052 0.000 1.632 60 M HN 0.642 nan 8.290 nan 0.000 0.436 61 S N 0.397 116.076 115.700 -0.036 0.000 2.661 61 S HA 0.628 5.098 4.470 -0.000 0.000 0.268 61 S C -2.040 172.585 174.600 0.041 0.000 1.162 61 S CA -0.816 57.354 58.200 -0.049 0.000 0.817 61 S CB 1.483 64.565 63.200 -0.197 0.000 1.141 61 S HN 0.891 nan 8.310 nan 0.000 0.477 62 H N 0.587 119.650 119.070 -0.012 0.000 2.865 62 H HA 0.840 5.396 4.556 -0.000 0.000 0.372 62 H C -1.803 173.529 175.328 0.008 0.000 1.173 62 H CA -0.905 55.131 56.048 -0.021 0.000 1.147 62 H CB 1.335 31.094 29.762 -0.006 0.000 1.805 62 H HN 0.513 nan 8.280 nan 0.000 0.553 63 L N 1.498 122.725 121.223 0.005 0.000 2.438 63 L HA 0.502 4.842 4.340 -0.000 0.000 0.270 63 L C 0.686 177.618 176.870 0.103 0.000 0.972 63 L CA 1.114 55.945 54.840 -0.015 0.000 0.831 63 L CB 1.551 43.596 42.059 -0.022 0.000 1.273 63 L HN 1.239 nan 8.230 nan 0.000 0.405 64 G N 4.148 113.021 108.800 0.122 0.000 2.564 64 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.273 64 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.273 64 G C -0.065 174.934 174.900 0.166 0.000 1.242 64 G CA 0.240 45.417 45.100 0.129 0.000 0.951 64 G HN 0.725 nan 8.290 nan 0.000 0.564 65 R N 1.063 121.625 120.500 0.104 0.000 2.644 65 R HA 0.326 4.666 4.340 -0.000 0.000 0.271 65 R C -2.442 173.895 176.300 0.062 0.000 1.687 65 R CA -1.097 55.047 56.100 0.073 0.000 1.655 65 R CB 1.950 32.276 30.300 0.044 0.000 1.285 65 R HN 0.531 nan 8.270 nan 0.000 0.643 66 P HA 0.115 nan 4.420 nan 0.000 0.272 66 P C 0.025 177.349 177.300 0.040 0.000 1.223 66 P CA -0.346 62.806 63.100 0.087 0.000 0.784 66 P CB 1.310 33.156 31.700 0.245 0.000 0.923 67 K N 1.111 121.505 120.400 -0.010 0.000 2.063 67 K HA 0.052 4.371 4.320 -0.000 0.000 0.208 67 K C 1.191 177.787 176.600 -0.006 0.000 1.048 67 K CA 1.673 57.949 56.287 -0.019 0.000 0.928 67 K CB -1.087 31.387 32.500 -0.043 0.000 0.713 67 K HN 0.977 nan 8.250 nan 0.000 0.442 68 G N -0.289 108.503 108.800 -0.013 0.000 2.758 68 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.686 68 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.686 68 G C -0.856 174.031 174.900 -0.022 0.000 1.389 68 G CA -0.306 44.799 45.100 0.007 0.000 0.845 68 G HN 0.197 nan 8.290 nan 0.000 0.572 69 I N 1.239 121.807 120.570 -0.004 0.000 2.802 69 I HA 0.518 4.687 4.170 -0.000 0.000 0.298 69 I C -2.492 173.697 176.117 0.119 0.000 1.176 69 I CA -2.806 58.506 61.300 0.019 0.000 1.025 69 I CB 2.833 40.815 38.000 -0.030 0.000 1.243 69 I HN 0.363 nan 8.210 nan 0.000 0.424 70 P HA 0.281 nan 4.420 nan 0.000 0.276 70 P C 0.425 177.828 177.300 0.172 0.000 1.230 70 P CA -0.097 63.074 63.100 0.118 0.000 0.776 70 P CB 0.677 32.415 31.700 0.062 0.000 0.888 71 M N 2.514 122.207 119.600 0.155 0.000 2.108 71 M HA -0.298 4.182 4.480 -0.000 0.000 0.257 71 M C 1.918 178.260 176.300 0.071 0.000 1.071 71 M CA 2.526 57.877 55.300 0.084 0.000 1.093 71 M CB -0.725 31.833 32.600 -0.071 0.000 1.345 71 M HN 0.468 nan 8.290 nan 0.000 0.403 72 A N -0.144 122.704 122.820 0.046 0.000 1.892 72 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 72 A C 1.914 179.528 177.584 0.049 0.000 1.188 72 A CA 1.898 53.955 52.037 0.033 0.000 0.631 72 A CB -0.826 18.187 19.000 0.022 0.000 0.822 72 A HN 0.632 nan 8.150 nan 0.000 0.447 73 Q N -0.759 119.079 119.800 0.064 0.000 2.364 73 Q HA 0.013 4.353 4.340 -0.000 0.000 0.207 73 Q C 2.275 178.322 176.000 0.078 0.000 0.970 73 Q CA 0.767 56.605 55.803 0.058 0.000 0.888 73 Q CB -0.360 28.407 28.738 0.048 0.000 0.951 73 Q HN 0.719 nan 8.270 nan 0.000 0.469 74 A N 1.154 124.052 122.820 0.131 0.000 1.877 74 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 74 A C 2.325 179.974 177.584 0.107 0.000 1.186 74 A CA 1.579 53.720 52.037 0.173 0.000 0.620 74 A CB -1.389 17.815 19.000 0.341 0.000 0.822 74 A HN 0.469 nan 8.150 nan 0.000 0.443 75 G N 0.084 108.930 108.800 0.077 0.000 2.606 75 G HA2 -0.374 3.585 3.960 -0.000 0.000 0.221 75 G HA3 -0.374 3.585 3.960 -0.000 0.000 0.221 75 G C 1.597 176.521 174.900 0.040 0.000 1.152 75 G CA 1.788 46.918 45.100 0.049 0.000 0.765 75 G HN 0.538 nan 8.290 nan 0.000 0.595 76 K N 0.315 120.737 120.400 0.037 0.000 2.026 76 K HA 0.029 4.349 4.320 -0.000 0.000 0.208 76 K C 2.443 179.058 176.600 0.025 0.000 1.048 76 K CA 0.905 57.208 56.287 0.026 0.000 0.929 76 K CB -0.431 32.082 32.500 0.022 0.000 0.713 76 K HN 0.307 nan 8.250 nan 0.000 0.439 77 I N 1.222 121.812 120.570 0.033 0.000 2.127 77 I HA -0.272 3.898 4.170 -0.000 0.000 0.241 77 I C 2.011 178.144 176.117 0.027 0.000 1.075 77 I CA 1.584 62.900 61.300 0.026 0.000 1.334 77 I CB -1.067 36.953 38.000 0.033 0.000 1.040 77 I HN 0.209 nan 8.210 nan 0.000 0.405 78 R N 0.715 121.242 120.500 0.044 0.000 2.139 78 R HA -0.125 4.215 4.340 -0.000 0.000 0.243 78 R C 2.437 178.752 176.300 0.024 0.000 1.145 78 R CA 1.591 57.716 56.100 0.041 0.000 0.976 78 R CB -0.461 29.874 30.300 0.058 0.000 0.866 78 R HN 0.360 nan 8.270 nan 0.000 0.449 79 S N 0.190 115.903 115.700 0.021 0.000 2.368 79 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 79 S C 1.918 176.523 174.600 0.008 0.000 1.030 79 S CA 1.726 59.934 58.200 0.014 0.000 0.999 79 S CB -0.211 62.997 63.200 0.013 0.000 0.844 79 S HN 0.375 nan 8.310 nan 0.000 0.459 80 T N 0.336 114.894 114.554 0.006 0.000 2.915 80 T HA 0.167 4.517 4.350 -0.000 0.000 0.269 80 T C 1.591 176.288 174.700 -0.005 0.000 1.071 80 T CA 1.207 63.306 62.100 -0.000 0.000 1.132 80 T CB -0.441 68.425 68.868 -0.002 0.000 0.878 80 T HN 0.653 nan 8.240 nan 0.000 0.479 81 G N 0.603 109.402 108.800 -0.003 0.000 2.163 81 G HA2 -0.062 3.897 3.960 -0.000 0.000 0.213 81 G HA3 -0.062 3.897 3.960 -0.000 0.000 0.213 81 G C 0.313 175.199 174.900 -0.022 0.000 0.991 81 G CA -0.258 44.837 45.100 -0.009 0.000 0.653 81 G HN 0.863 nan 8.290 nan 0.000 0.518 82 G N -1.120 107.667 108.800 -0.022 0.000 2.535 82 G HA2 0.640 4.600 3.960 -0.000 0.000 0.303 82 G HA3 0.640 4.600 3.960 -0.000 0.000 0.303 82 G C -0.177 174.707 174.900 -0.026 0.000 1.237 82 G CA -0.058 45.014 45.100 -0.046 0.000 0.986 82 G HN 0.916 nan 8.290 nan 0.000 0.494 83 V N 1.797 121.682 119.914 -0.048 0.000 2.350 83 V HA 0.247 4.367 4.120 -0.000 0.000 0.276 83 V C -2.018 174.095 176.094 0.032 0.000 1.028 83 V CA -1.323 60.996 62.300 0.031 0.000 0.860 83 V CB 1.486 33.351 31.823 0.070 0.000 0.990 83 V HN 0.491 nan 8.190 nan 0.000 0.453 84 P HA 0.135 nan 4.420 nan 0.000 0.260 84 P C 1.048 178.188 177.300 -0.267 0.000 1.185 84 P CA 1.349 64.403 63.100 -0.077 0.000 0.763 84 P CB 0.447 32.155 31.700 0.013 0.000 0.776 85 G N 3.045 111.683 108.800 -0.270 0.000 2.168 85 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 85 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 85 G C 0.185 174.527 174.900 -0.930 0.000 0.977 85 G CA -0.426 44.414 45.100 -0.433 0.000 0.659 85 G HN 0.540 nan 8.290 nan 0.000 0.533 86 F N 1.447 120.839 119.950 -0.930 0.000 2.623 86 F HA 0.447 4.974 4.527 -0.000 0.000 0.383 86 F C 0.675 176.045 175.800 -0.718 0.000 1.077 86 F CA 0.747 58.093 58.000 -1.090 0.000 1.268 86 F CB 0.526 39.317 39.000 -0.348 0.000 1.053 86 F HN 0.251 nan 8.300 nan 0.000 0.571 87 Q N 4.936 123.828 119.800 -1.513 0.000 2.350 87 Q HA 0.084 4.424 4.340 -0.000 0.000 0.255 87 Q C 0.494 175.995 176.000 -0.833 0.000 0.951 87 Q CA -0.634 54.701 55.803 -0.781 0.000 0.751 87 Q CB 1.837 30.346 28.738 -0.382 0.000 1.296 87 Q HN 0.750 nan 8.270 nan 0.000 0.453 88 Q N 2.129 121.517 119.800 -0.686 0.000 2.224 88 Q HA -0.265 4.074 4.340 -0.000 0.000 0.213 88 Q C 1.201 177.125 176.000 -0.127 0.000 0.998 88 Q CA 2.001 57.642 55.803 -0.270 0.000 0.895 88 Q CB 0.300 29.077 28.738 0.065 0.000 0.926 88 Q HN 0.398 nan 8.270 nan 0.000 0.417 89 K N -1.121 119.214 120.400 -0.108 0.000 2.439 89 K HA 0.108 4.428 4.320 -0.000 0.000 0.197 89 K C 0.826 177.415 176.600 -0.018 0.000 1.041 89 K CA 1.018 57.281 56.287 -0.041 0.000 0.970 89 K CB 0.074 32.556 32.500 -0.030 0.000 0.773 89 K HN 0.212 nan 8.250 nan 0.000 0.479 90 A N 1.336 124.149 122.820 -0.012 0.000 2.606 90 A HA 0.203 4.522 4.320 -0.000 0.000 0.290 90 A C -0.056 177.551 177.584 0.037 0.000 1.174 90 A CA -0.521 51.548 52.037 0.054 0.000 0.958 90 A CB -0.066 19.023 19.000 0.148 0.000 1.194 90 A HN 0.139 nan 8.150 nan 0.000 0.526 91 T N 0.382 114.961 114.554 0.041 0.000 2.918 91 T HA 0.297 4.647 4.350 -0.000 0.000 0.302 91 T C 1.012 175.708 174.700 -0.007 0.000 1.045 91 T CA -0.029 62.130 62.100 0.098 0.000 1.114 91 T CB 1.020 70.005 68.868 0.195 0.000 0.965 91 T HN 0.235 nan 8.240 nan 0.000 0.540 92 L N 1.244 122.472 121.223 0.007 0.000 2.607 92 L HA 0.171 4.511 4.340 -0.000 0.000 0.228 92 L C 2.397 179.022 176.870 -0.409 0.000 1.123 92 L CA 0.171 54.984 54.840 -0.046 0.000 0.890 92 L CB -0.219 41.947 42.059 0.179 0.000 1.103 92 L HN 0.695 nan 8.230 nan 0.000 0.468 93 K N 1.534 121.482 120.400 -0.754 0.000 2.020 93 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 93 K C -0.536 175.765 176.600 -0.498 0.000 1.050 93 K CA 1.772 57.400 56.287 -1.099 0.000 0.929 93 K CB -0.658 31.460 32.500 -0.637 0.000 0.714 93 K HN 0.153 nan 8.250 nan 0.000 0.443 94 P HA -0.129 nan 4.420 nan 0.000 0.220 94 P C 1.279 178.476 177.300 -0.171 0.000 1.148 94 P CA 1.103 64.101 63.100 -0.170 0.000 0.803 94 P CB 0.052 31.689 31.700 -0.105 0.000 0.782 95 V N 0.751 120.553 119.914 -0.185 0.000 2.427 95 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 95 V C 2.865 178.857 176.094 -0.170 0.000 1.051 95 V CA 1.922 64.110 62.300 -0.187 0.000 1.048 95 V CB -1.594 30.149 31.823 -0.133 0.000 0.666 95 V HN 0.102 nan 8.190 nan 0.000 0.456 96 A N -0.504 122.221 122.820 -0.159 0.000 1.902 96 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 96 A C 2.378 179.920 177.584 -0.070 0.000 1.181 96 A CA 1.915 53.913 52.037 -0.065 0.000 0.623 96 A CB -0.442 18.508 19.000 -0.084 0.000 0.818 96 A HN 0.395 nan 8.150 nan 0.000 0.443 97 K N -0.635 119.698 120.400 -0.112 0.000 2.025 97 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 97 K C 2.339 178.894 176.600 -0.075 0.000 1.049 97 K CA 1.629 57.869 56.287 -0.077 0.000 0.933 97 K CB -0.192 32.257 32.500 -0.084 0.000 0.714 97 K HN 0.333 nan 8.250 nan 0.000 0.438 98 R N 1.264 121.702 120.500 -0.104 0.000 2.073 98 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 98 R C 2.318 178.551 176.300 -0.113 0.000 1.134 98 R CA 1.259 57.294 56.100 -0.108 0.000 0.952 98 R CB -0.948 29.268 30.300 -0.141 0.000 0.850 98 R HN 0.180 nan 8.270 nan 0.000 0.433 99 L N 0.265 121.400 121.223 -0.146 0.000 2.043 99 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 99 L C 2.280 179.121 176.870 -0.048 0.000 1.075 99 L CA 2.427 57.195 54.840 -0.121 0.000 0.752 99 L CB -1.098 40.899 42.059 -0.103 0.000 0.891 99 L HN 0.356 nan 8.230 nan 0.000 0.432 100 S N -0.975 114.706 115.700 -0.031 0.000 2.382 100 S HA -0.225 4.245 4.470 -0.000 0.000 0.228 100 S C 1.847 176.437 174.600 -0.016 0.000 1.027 100 S CA 1.628 59.822 58.200 -0.010 0.000 0.991 100 S CB -0.300 62.898 63.200 -0.003 0.000 0.823 100 S HN 0.678 nan 8.310 nan 0.000 0.469 101 E N 0.518 120.701 120.200 -0.029 0.000 2.072 101 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 101 E C 2.126 178.712 176.600 -0.023 0.000 0.985 101 E CA 1.265 57.650 56.400 -0.025 0.000 0.801 101 E CB -0.200 29.481 29.700 -0.031 0.000 0.750 101 E HN 0.482 nan 8.360 nan 0.000 0.452 102 L N 0.183 121.386 121.223 -0.033 0.000 2.072 102 L HA -0.133 4.206 4.340 -0.000 0.000 0.205 102 L C 2.160 179.022 176.870 -0.013 0.000 1.079 102 L CA 0.375 55.199 54.840 -0.027 0.000 0.752 102 L CB -0.159 41.873 42.059 -0.044 0.000 0.906 102 L HN 0.162 nan 8.230 nan 0.000 0.436 103 L N -0.456 120.762 121.223 -0.009 0.000 2.376 103 L HA 0.004 4.344 4.340 -0.000 0.000 0.219 103 L C 1.190 178.064 176.870 0.006 0.000 1.133 103 L CA 1.063 55.906 54.840 0.005 0.000 0.816 103 L CB -0.428 41.639 42.059 0.014 0.000 0.933 103 L HN 0.186 nan 8.230 nan 0.000 0.449 104 L N -0.730 120.493 121.223 0.001 0.000 3.898 104 L HA -0.274 4.066 4.340 -0.000 0.000 0.407 104 L C 0.356 177.229 176.870 0.006 0.000 1.207 104 L CA 0.680 55.521 54.840 0.002 0.000 0.931 104 L CB -1.740 40.321 42.059 0.003 0.000 2.014 104 L HN 0.515 nan 8.230 nan 0.000 0.858 105 R N -2.371 118.134 120.500 0.007 0.000 2.692 105 R HA 0.765 5.105 4.340 -0.000 0.000 0.269 105 R C -3.118 173.190 176.300 0.013 0.000 1.030 105 R CA -1.922 54.184 56.100 0.011 0.000 0.882 105 R CB 1.112 31.420 30.300 0.013 0.000 1.250 105 R HN -0.259 nan 8.270 nan 0.000 0.465 106 P HA 0.104 nan 4.420 nan 0.000 0.269 106 P C -1.021 176.296 177.300 0.029 0.000 1.215 106 P CA -0.444 62.668 63.100 0.020 0.000 0.780 106 P CB 0.755 32.466 31.700 0.019 0.000 0.898 107 V N 1.836 121.774 119.914 0.040 0.000 2.482 107 V HA 0.318 4.438 4.120 -0.000 0.000 0.295 107 V C 0.099 176.241 176.094 0.081 0.000 1.026 107 V CA -0.504 61.832 62.300 0.060 0.000 0.856 107 V CB 1.787 33.651 31.823 0.069 0.000 1.001 107 V HN 0.613 nan 8.190 nan 0.000 0.424 108 T N 4.421 119.020 114.554 0.075 0.000 2.771 108 T HA 0.508 4.858 4.350 -0.000 0.000 0.291 108 T C -0.739 174.038 174.700 0.129 0.000 0.954 108 T CA -0.234 61.916 62.100 0.084 0.000 1.045 108 T CB 0.363 69.252 68.868 0.034 0.000 0.917 108 T HN 0.347 nan 8.240 nan 0.000 0.484 109 F N 5.192 125.147 119.950 0.009 0.000 2.390 109 F HA 0.616 5.143 4.527 -0.000 0.000 0.361 109 F C 0.228 176.037 175.800 0.015 0.000 1.124 109 F CA -1.567 56.444 58.000 0.018 0.000 1.149 109 F CB 0.126 39.145 39.000 0.031 0.000 1.160 109 F HN 0.822 nan 8.300 nan 0.000 0.501 110 A N 9.490 131.979 122.820 -0.553 0.000 2.415 110 A HA 0.364 4.683 4.320 -0.000 0.000 0.309 110 A C -1.623 175.508 177.584 -0.754 0.000 1.356 110 A CA -1.315 50.433 52.037 -0.481 0.000 0.998 110 A CB -0.413 18.402 19.000 -0.307 0.000 1.145 110 A HN 0.646 nan 8.150 nan 0.000 0.545 111 P HA -0.106 nan 4.420 nan 0.000 0.229 111 P C -0.214 177.046 177.300 -0.066 0.000 1.150 111 P CA 1.240 64.156 63.100 -0.306 0.000 0.765 111 P CB 0.173 31.839 31.700 -0.057 0.000 0.783 112 D N -0.731 119.631 120.400 -0.064 0.000 2.764 112 D HA 0.051 4.691 4.640 -0.000 0.000 0.227 112 D C 0.966 177.334 176.300 0.114 0.000 1.347 112 D CA -0.578 53.489 54.000 0.111 0.000 0.953 112 D CB 0.657 41.545 40.800 0.147 0.000 1.476 112 D HN -0.073 nan 8.370 nan 0.000 0.585 113 C N 3.049 122.465 119.300 0.194 0.000 2.419 113 C HA 0.115 4.575 4.460 -0.000 0.000 0.281 113 C C 1.979 177.134 174.990 0.275 0.000 1.336 113 C CA -0.034 59.104 59.018 0.201 0.000 1.770 113 C CB -1.136 26.731 27.740 0.212 0.000 1.929 113 C HN 0.647 nan 8.230 nan 0.000 0.509 114 L N 1.038 122.408 121.223 0.245 0.000 2.628 114 L HA 0.222 4.562 4.340 -0.000 0.000 0.229 114 L C 0.854 177.806 176.870 0.136 0.000 1.137 114 L CA 0.455 55.347 54.840 0.088 0.000 0.909 114 L CB -0.544 41.368 42.059 -0.244 0.000 1.137 114 L HN 0.380 nan 8.230 nan 0.000 0.470 115 N N 0.212 119.018 118.700 0.177 0.000 2.628 115 N HA 0.239 4.979 4.740 -0.000 0.000 0.299 115 N C 0.134 175.691 175.510 0.079 0.000 1.834 115 N CA 0.112 53.237 53.050 0.126 0.000 0.871 115 N CB 0.890 39.437 38.487 0.101 0.000 1.377 115 N HN 0.054 nan 8.380 nan 0.000 0.493 116 A N -0.697 122.175 122.820 0.086 0.000 2.564 116 A HA 0.610 4.930 4.320 -0.000 0.000 0.279 116 A C 1.793 179.266 177.584 -0.185 0.000 1.232 116 A CA 0.427 52.386 52.037 -0.130 0.000 0.950 116 A CB -0.085 18.724 19.000 -0.318 0.000 1.138 116 A HN 0.303 nan 8.150 nan 0.000 0.526 117 A N 1.814 124.684 122.820 0.082 0.000 1.892 117 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 117 A C 1.905 179.499 177.584 0.016 0.000 1.188 117 A CA 2.119 54.245 52.037 0.148 0.000 0.631 117 A CB -0.588 18.522 19.000 0.183 0.000 0.822 117 A HN 0.690 nan 8.150 nan 0.000 0.447 118 D N 0.270 120.671 120.400 0.002 0.000 2.127 118 D HA -0.175 4.465 4.640 -0.000 0.000 0.190 118 D C 1.872 178.149 176.300 -0.038 0.000 1.000 118 D CA 2.116 56.108 54.000 -0.012 0.000 0.839 118 D CB -1.210 39.584 40.800 -0.010 0.000 0.955 118 D HN 0.275 nan 8.370 nan 0.000 0.446 119 V N 0.841 120.711 119.914 -0.073 0.000 2.343 119 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 119 V C 3.010 179.044 176.094 -0.100 0.000 1.051 119 V CA 1.376 63.625 62.300 -0.085 0.000 1.036 119 V CB -0.421 31.334 31.823 -0.112 0.000 0.654 119 V HN 0.120 nan 8.190 nan 0.000 0.451 120 V N 1.129 120.946 119.914 -0.162 0.000 2.295 120 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 120 V C 2.780 178.842 176.094 -0.053 0.000 1.049 120 V CA 2.331 64.540 62.300 -0.153 0.000 1.024 120 V CB -1.005 30.655 31.823 -0.272 0.000 0.648 120 V HN 0.774 nan 8.190 nan 0.000 0.447 121 S N 0.613 116.299 115.700 -0.023 0.000 2.383 121 S HA -0.280 4.190 4.470 -0.000 0.000 0.229 121 S C 1.807 176.405 174.600 -0.003 0.000 1.030 121 S CA 1.667 59.870 58.200 0.004 0.000 1.002 121 S CB -0.565 62.644 63.200 0.015 0.000 0.829 121 S HN 0.672 nan 8.310 nan 0.000 0.467 122 K N 0.537 120.930 120.400 -0.013 0.000 2.525 122 K HA 0.217 4.537 4.320 -0.000 0.000 0.192 122 K C 0.437 177.031 176.600 -0.010 0.000 1.029 122 K CA 0.106 56.387 56.287 -0.010 0.000 1.029 122 K CB -0.284 32.208 32.500 -0.012 0.000 0.814 122 K HN 0.500 nan 8.250 nan 0.000 0.503 123 M N 0.732 120.323 119.600 -0.015 0.000 2.232 123 M HA 0.013 4.493 4.480 -0.000 0.000 0.321 123 M C -0.022 176.276 176.300 -0.003 0.000 1.101 123 M CA 0.590 55.883 55.300 -0.012 0.000 1.181 123 M CB 1.059 33.648 32.600 -0.018 0.000 1.432 123 M HN -0.107 nan 8.290 nan 0.000 0.457 124 S N 0.708 116.407 115.700 -0.001 0.000 2.618 124 S HA 0.551 5.021 4.470 -0.000 0.000 0.277 124 S C -2.684 171.918 174.600 0.004 0.000 1.138 124 S CA -1.280 56.922 58.200 0.003 0.000 0.844 124 S CB 1.724 64.926 63.200 0.003 0.000 1.127 124 S HN 0.364 nan 8.310 nan 0.000 0.474 125 P HA 0.228 nan 4.420 nan 0.000 0.264 125 P C 0.941 178.244 177.300 0.006 0.000 1.183 125 P CA 1.518 64.621 63.100 0.006 0.000 0.763 125 P CB 0.123 31.827 31.700 0.007 0.000 0.807 126 G N 1.749 110.553 108.800 0.007 0.000 2.234 126 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.235 126 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.235 126 G C -0.030 174.876 174.900 0.010 0.000 0.997 126 G CA -0.294 44.812 45.100 0.009 0.000 0.623 126 G HN 0.504 nan 8.290 nan 0.000 0.514 127 D N 0.197 120.601 120.400 0.007 0.000 2.341 127 D HA 0.562 5.202 4.640 -0.000 0.000 0.245 127 D C 0.225 176.530 176.300 0.010 0.000 1.106 127 D CA 0.155 54.159 54.000 0.007 0.000 0.905 127 D CB 1.880 42.681 40.800 0.001 0.000 1.202 127 D HN 0.280 nan 8.370 nan 0.000 0.426 128 V N 1.952 121.876 119.914 0.016 0.000 2.525 128 V HA 0.377 4.497 4.120 -0.000 0.000 0.299 128 V C -0.330 175.782 176.094 0.030 0.000 1.034 128 V CA -0.771 61.544 62.300 0.026 0.000 0.863 128 V CB 2.124 33.972 31.823 0.042 0.000 0.999 128 V HN 0.235 nan 8.190 nan 0.000 0.423 129 V N 5.758 125.684 119.914 0.020 0.000 2.588 129 V HA 0.554 4.674 4.120 -0.000 0.000 0.304 129 V C -0.811 175.305 176.094 0.036 0.000 1.042 129 V CA -0.630 61.677 62.300 0.011 0.000 0.877 129 V CB 2.014 33.804 31.823 -0.055 0.000 0.996 129 V HN 0.684 nan 8.190 nan 0.000 0.425 130 L N 6.529 127.810 121.223 0.096 0.000 2.313 130 L HA 0.644 4.984 4.340 -0.000 0.000 0.283 130 L C -0.631 176.281 176.870 0.071 0.000 1.013 130 L CA 0.093 55.028 54.840 0.158 0.000 0.816 130 L CB 1.335 43.586 42.059 0.320 0.000 1.236 130 L HN 0.527 nan 8.230 nan 0.000 0.419 131 L N 2.945 124.173 121.223 0.008 0.000 2.399 131 L HA 0.441 4.780 4.340 -0.000 0.000 0.266 131 L C 0.478 177.319 176.870 -0.048 0.000 1.114 131 L CA -0.757 54.025 54.840 -0.096 0.000 0.804 131 L CB 0.966 43.013 42.059 -0.019 0.000 1.146 131 L HN 0.629 nan 8.230 nan 0.000 0.451 132 E N 2.061 122.141 120.200 -0.200 0.000 2.425 132 E HA -0.101 4.248 4.350 -0.000 0.000 0.258 132 E C 0.069 176.610 176.600 -0.099 0.000 1.151 132 E CA -0.175 56.193 56.400 -0.053 0.000 0.958 132 E CB 0.349 30.016 29.700 -0.054 0.000 0.968 132 E HN 0.441 nan 8.360 nan 0.000 0.451 133 N N 1.964 120.464 118.700 -0.333 0.000 2.256 133 N HA -0.113 4.627 4.740 -0.000 0.000 0.277 133 N C 0.964 176.305 175.510 -0.281 0.000 1.362 133 N CA 0.692 53.470 53.050 -0.454 0.000 0.861 133 N CB 0.374 38.236 38.487 -1.041 0.000 1.136 133 N HN 0.439 nan 8.380 nan 0.000 0.492 134 V N 2.673 122.572 119.914 -0.025 0.000 2.913 134 V HA -0.065 4.055 4.120 -0.000 0.000 0.260 134 V C 1.751 177.931 176.094 0.143 0.000 1.098 134 V CA 1.295 63.659 62.300 0.108 0.000 1.121 134 V CB -0.387 31.506 31.823 0.116 0.000 0.714 134 V HN 0.537 nan 8.190 nan 0.000 0.487 135 R N -0.994 119.559 120.500 0.088 0.000 2.319 135 R HA 0.199 4.539 4.340 -0.000 0.000 0.204 135 R C 1.462 177.900 176.300 0.229 0.000 0.954 135 R CA 0.282 56.457 56.100 0.125 0.000 1.066 135 R CB -0.216 30.138 30.300 0.090 0.000 0.991 135 R HN 0.459 nan 8.270 nan 0.000 0.486 136 F N -0.355 119.567 119.950 -0.046 0.000 2.604 136 F HA 0.015 4.541 4.527 -0.000 0.000 0.298 136 F C 0.225 175.802 175.800 -0.373 0.000 1.131 136 F CA 0.033 57.906 58.000 -0.212 0.000 1.457 136 F CB -0.180 38.657 39.000 -0.273 0.000 1.095 136 F HN -0.121 nan 8.300 nan 0.000 0.574 137 Y N 0.002 120.428 120.300 0.209 0.000 2.341 137 Y HA 0.278 4.828 4.550 -0.000 0.000 0.338 137 Y C 1.310 177.252 175.900 0.069 0.000 0.965 137 Y CA -1.421 56.747 58.100 0.113 0.000 1.108 137 Y CB 1.134 39.649 38.460 0.091 0.000 1.180 137 Y HN -0.211 nan 8.280 nan 0.000 0.458 138 K N 1.402 121.913 120.400 0.185 0.000 2.209 138 K HA -0.144 4.175 4.320 -0.000 0.000 0.204 138 K C 1.225 177.872 176.600 0.079 0.000 1.048 138 K CA 1.402 57.748 56.287 0.099 0.000 0.940 138 K CB 0.246 32.785 32.500 0.065 0.000 0.729 138 K HN 0.710 nan 8.250 nan 0.000 0.451 139 E N 1.196 121.455 120.200 0.099 0.000 2.204 139 E HA -0.199 4.150 4.350 -0.000 0.000 0.194 139 E C 1.719 178.336 176.600 0.029 0.000 0.989 139 E CA 0.677 57.103 56.400 0.043 0.000 0.824 139 E CB -0.164 29.545 29.700 0.015 0.000 0.756 139 E HN 0.280 nan 8.360 nan 0.000 0.477 140 E N 1.310 121.548 120.200 0.064 0.000 2.070 140 E HA -0.138 4.211 4.350 -0.000 0.000 0.197 140 E C 1.729 178.324 176.600 -0.009 0.000 1.004 140 E CA 1.626 58.048 56.400 0.037 0.000 0.805 140 E CB -0.299 29.445 29.700 0.073 0.000 0.744 140 E HN 0.374 nan 8.360 nan 0.000 0.451 141 G N 0.484 109.275 108.800 -0.014 0.000 3.337 141 G HA2 0.014 3.974 3.960 -0.000 0.000 0.246 141 G HA3 0.014 3.974 3.960 -0.000 0.000 0.246 141 G C 0.443 175.318 174.900 -0.041 0.000 1.131 141 G CA 0.190 45.261 45.100 -0.049 0.000 0.773 141 G HN 0.160 nan 8.290 nan 0.000 0.544 142 S N -0.155 115.531 115.700 -0.023 0.000 2.563 142 S HA 0.113 4.583 4.470 -0.000 0.000 0.284 142 S C 1.525 176.105 174.600 -0.033 0.000 1.331 142 S CA 0.051 58.238 58.200 -0.022 0.000 1.047 142 S CB 0.816 64.008 63.200 -0.013 0.000 0.859 142 S HN 0.271 nan 8.310 nan 0.000 0.514 143 K N 2.441 122.822 120.400 -0.031 0.000 2.365 143 K HA 0.147 4.467 4.320 -0.000 0.000 0.197 143 K C 0.144 176.727 176.600 -0.029 0.000 1.042 143 K CA 0.727 56.994 56.287 -0.033 0.000 0.987 143 K CB 0.026 32.508 32.500 -0.030 0.000 0.779 143 K HN 0.451 nan 8.250 nan 0.000 0.484 144 K N 1.270 121.655 120.400 -0.025 0.000 2.292 144 K HA 0.269 4.589 4.320 -0.000 0.000 0.290 144 K C 0.786 177.370 176.600 -0.028 0.000 1.083 144 K CA -0.099 56.174 56.287 -0.023 0.000 0.918 144 K CB 1.146 33.635 32.500 -0.019 0.000 1.089 144 K HN 0.048 nan 8.250 nan 0.000 0.473 145 A N 4.977 127.779 122.820 -0.030 0.000 1.958 145 A HA -0.294 4.026 4.320 -0.000 0.000 0.221 145 A C 2.003 179.566 177.584 -0.036 0.000 1.178 145 A CA 1.857 53.873 52.037 -0.035 0.000 0.642 145 A CB -0.401 18.579 19.000 -0.033 0.000 0.816 145 A HN 0.873 nan 8.150 nan 0.000 0.453 146 K N -0.647 119.735 120.400 -0.031 0.000 2.032 146 K HA -0.237 4.083 4.320 -0.000 0.000 0.209 146 K C 1.200 177.779 176.600 -0.035 0.000 1.048 146 K CA 1.749 58.017 56.287 -0.032 0.000 0.927 146 K CB -0.653 31.831 32.500 -0.027 0.000 0.712 146 K HN 0.296 nan 8.250 nan 0.000 0.441 147 D N 0.970 121.352 120.400 -0.030 0.000 2.097 147 D HA -0.099 4.541 4.640 -0.000 0.000 0.195 147 D C 2.204 178.482 176.300 -0.036 0.000 0.989 147 D CA 1.150 55.133 54.000 -0.029 0.000 0.827 147 D CB -0.191 40.598 40.800 -0.018 0.000 0.966 147 D HN 0.279 nan 8.370 nan 0.000 0.456 148 R N 0.667 121.145 120.500 -0.037 0.000 2.080 148 R HA -0.118 4.221 4.340 -0.000 0.000 0.236 148 R C 2.247 178.514 176.300 -0.056 0.000 1.137 148 R CA 1.195 57.270 56.100 -0.043 0.000 0.943 148 R CB -0.346 29.927 30.300 -0.045 0.000 0.846 148 R HN 0.353 nan 8.270 nan 0.000 0.431 149 E N 0.543 120.708 120.200 -0.058 0.000 2.160 149 E HA -0.181 4.168 4.350 -0.000 0.000 0.195 149 E C 2.031 178.587 176.600 -0.074 0.000 0.991 149 E CA 1.050 57.410 56.400 -0.067 0.000 0.810 149 E CB -0.129 29.535 29.700 -0.061 0.000 0.742 149 E HN 0.373 nan 8.360 nan 0.000 0.466 150 A N 1.433 124.212 122.820 -0.068 0.000 1.865 150 A HA -0.247 4.072 4.320 -0.000 0.000 0.217 150 A C 2.163 179.686 177.584 -0.102 0.000 1.191 150 A CA 1.696 53.687 52.037 -0.077 0.000 0.623 150 A CB -0.532 18.428 19.000 -0.066 0.000 0.826 150 A HN 0.260 nan 8.150 nan 0.000 0.444 151 M N -0.527 119.011 119.600 -0.103 0.000 2.077 151 M HA -0.100 4.380 4.480 -0.000 0.000 0.261 151 M C 2.328 178.552 176.300 -0.126 0.000 1.070 151 M CA 1.731 56.953 55.300 -0.130 0.000 1.125 151 M CB -0.284 32.257 32.600 -0.099 0.000 1.339 151 M HN 0.415 nan 8.290 nan 0.000 0.409 152 A N 0.529 123.288 122.820 -0.101 0.000 1.986 152 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 152 A C 2.043 179.548 177.584 -0.132 0.000 1.171 152 A CA 2.087 54.060 52.037 -0.106 0.000 0.640 152 A CB -0.742 18.198 19.000 -0.101 0.000 0.811 152 A HN 0.597 nan 8.150 nan 0.000 0.451 153 K N -0.565 119.758 120.400 -0.128 0.000 2.063 153 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 153 K C 1.794 178.286 176.600 -0.180 0.000 1.048 153 K CA 1.724 57.932 56.287 -0.132 0.000 0.928 153 K CB -0.375 32.060 32.500 -0.108 0.000 0.713 153 K HN 0.619 nan 8.250 nan 0.000 0.442 154 I N 0.579 121.019 120.570 -0.216 0.000 2.163 154 I HA -0.271 3.898 4.170 -0.000 0.000 0.240 154 I C 1.982 177.765 176.117 -0.556 0.000 1.081 154 I CA 0.761 61.865 61.300 -0.326 0.000 1.353 154 I CB -0.284 37.543 38.000 -0.287 0.000 1.054 154 I HN 0.059 nan 8.210 nan 0.000 0.407 155 L N 1.125 122.096 121.223 -0.420 0.000 2.042 155 L HA -0.163 4.176 4.340 -0.000 0.000 0.210 155 L C 2.756 179.462 176.870 -0.273 0.000 1.076 155 L CA 2.082 56.688 54.840 -0.389 0.000 0.749 155 L CB -1.585 40.428 42.059 -0.078 0.000 0.893 155 L HN 0.228 nan 8.230 nan 0.000 0.432 156 A N -0.832 121.878 122.820 -0.183 0.000 2.024 156 A HA -0.202 4.117 4.320 -0.000 0.000 0.220 156 A C 2.463 179.988 177.584 -0.097 0.000 1.164 156 A CA 1.739 53.716 52.037 -0.100 0.000 0.643 156 A CB -0.741 18.196 19.000 -0.105 0.000 0.806 156 A HN 0.549 nan 8.150 nan 0.000 0.451 157 S N -1.727 113.853 115.700 -0.200 0.000 2.515 157 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 157 S C 1.637 176.226 174.600 -0.018 0.000 0.987 157 S CA 0.815 58.935 58.200 -0.134 0.000 0.936 157 S CB -0.639 62.456 63.200 -0.174 0.000 0.766 157 S HN 0.512 nan 8.310 nan 0.000 0.528 158 Y N 2.344 122.645 120.300 0.003 0.000 2.314 158 Y HA 0.380 4.929 4.550 -0.000 0.000 0.293 158 Y C 1.699 177.606 175.900 0.012 0.000 1.129 158 Y CA -0.272 57.832 58.100 0.006 0.000 1.201 158 Y CB -0.845 37.619 38.460 0.008 0.000 0.999 158 Y HN 0.491 nan 8.280 nan 0.000 0.541 159 G N -1.547 107.355 108.800 0.170 0.000 2.866 159 G HA2 0.349 4.309 3.960 -0.000 0.000 0.289 159 G HA3 0.349 4.309 3.960 -0.000 0.000 0.289 159 G C -0.416 174.530 174.900 0.077 0.000 1.396 159 G CA -0.406 44.760 45.100 0.111 0.000 0.848 159 G HN -0.071 nan 8.290 nan 0.000 0.515 160 D N -1.187 119.250 120.400 0.062 0.000 2.584 160 D HA 0.070 4.709 4.640 -0.000 0.000 0.254 160 D C 1.154 177.490 176.300 0.059 0.000 1.085 160 D CA 0.671 54.700 54.000 0.048 0.000 0.971 160 D CB -0.018 40.803 40.800 0.035 0.000 1.103 160 D HN 0.287 nan 8.370 nan 0.000 0.453 161 V N 0.619 120.566 119.914 0.056 0.000 2.481 161 V HA 0.382 4.502 4.120 -0.000 0.000 0.286 161 V C -1.362 174.792 176.094 0.100 0.000 1.042 161 V CA -0.689 61.652 62.300 0.067 0.000 0.928 161 V CB 1.195 33.037 31.823 0.033 0.000 0.986 161 V HN 0.148 nan 8.190 nan 0.000 0.462 162 Y N 7.335 127.630 120.300 -0.007 0.000 2.377 162 Y HA 0.751 5.300 4.550 -0.000 0.000 0.339 162 Y C -0.350 175.539 175.900 -0.017 0.000 1.011 162 Y CA -0.875 57.219 58.100 -0.010 0.000 1.093 162 Y CB 1.640 40.096 38.460 -0.008 0.000 1.201 162 Y HN 0.861 nan 8.280 nan 0.000 0.455 163 I N 3.293 123.441 120.570 -0.704 0.000 2.656 163 I HA 0.587 4.757 4.170 -0.000 0.000 0.292 163 I C -1.709 173.931 176.117 -0.795 0.000 1.144 163 I CA -0.544 60.448 61.300 -0.514 0.000 1.038 163 I CB 2.276 40.115 38.000 -0.269 0.000 1.244 163 I HN 0.569 nan 8.210 nan 0.000 0.420 164 S N 3.706 119.157 115.700 -0.415 0.000 2.437 164 S HA 0.415 4.885 4.470 -0.000 0.000 0.305 164 S C -0.262 174.284 174.600 -0.091 0.000 1.109 164 S CA -0.296 57.770 58.200 -0.223 0.000 1.099 164 S CB 1.104 64.354 63.200 0.083 0.000 1.004 164 S HN 0.825 nan 8.310 nan 0.000 0.475 165 D N 3.154 123.504 120.400 -0.085 0.000 2.500 165 D HA 0.336 4.975 4.640 -0.000 0.000 0.217 165 D C 0.585 176.913 176.300 0.047 0.000 1.159 165 D CA -0.038 53.951 54.000 -0.019 0.000 0.828 165 D CB 0.621 41.382 40.800 -0.065 0.000 1.039 165 D HN 0.560 nan 8.370 nan 0.000 0.512 166 A N 1.064 123.912 122.820 0.047 0.000 3.117 166 A HA 0.203 4.523 4.320 -0.000 0.000 0.255 166 A C 0.068 177.752 177.584 0.165 0.000 1.583 166 A CA -0.531 51.558 52.037 0.087 0.000 1.234 166 A CB -1.532 17.500 19.000 0.052 0.000 1.076 166 A HN 0.247 nan 8.150 nan 0.000 0.653 167 F N 1.079 121.072 119.950 0.071 0.000 2.578 167 F HA 0.409 4.936 4.527 -0.001 0.000 0.376 167 F C 1.161 177.013 175.800 0.085 0.000 1.085 167 F CA 1.403 59.456 58.000 0.087 0.000 1.260 167 F CB 0.472 39.539 39.000 0.112 0.000 1.095 167 F HN 0.488 nan 8.300 nan 0.000 0.573 168 G N 3.308 111.874 108.800 -0.389 0.000 2.421 168 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.188 168 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.188 168 G C 0.501 175.416 174.900 0.024 0.000 1.001 168 G CA 0.111 45.092 45.100 -0.198 0.000 0.693 168 G HN 0.815 nan 8.290 nan 0.000 0.479 169 T N 0.100 114.718 114.554 0.106 0.000 3.192 169 T HA 0.530 4.880 4.350 -0.000 0.000 0.295 169 T C 1.961 176.744 174.700 0.137 0.000 0.947 169 T CA 1.019 63.237 62.100 0.196 0.000 0.916 169 T CB 0.716 69.674 68.868 0.149 0.000 1.169 169 T HN 0.986 nan 8.240 nan 0.000 0.540 170 A N 1.898 124.769 122.820 0.084 0.000 2.070 170 A HA -0.118 4.201 4.320 -0.000 0.000 0.220 170 A C 1.798 179.420 177.584 0.063 0.000 1.159 170 A CA 1.690 53.751 52.037 0.040 0.000 0.656 170 A CB -0.850 18.140 19.000 -0.017 0.000 0.800 170 A HN 0.875 nan 8.150 nan 0.000 0.453 171 H N -2.471 116.512 119.070 -0.145 0.000 2.512 171 H HA 0.221 4.776 4.556 -0.000 0.000 0.279 171 H C 0.371 175.654 175.328 -0.075 0.000 0.999 171 H CA -0.055 55.927 56.048 -0.111 0.000 1.283 171 H CB 0.021 29.701 29.762 -0.137 0.000 1.421 171 H HN 0.064 nan 8.280 nan 0.000 0.554 172 R N 2.583 122.837 120.500 -0.410 0.000 2.272 172 R HA 0.044 4.383 4.340 -0.000 0.000 0.334 172 R C -0.779 175.425 176.300 -0.160 0.000 1.117 172 R CA -0.370 55.507 56.100 -0.371 0.000 0.966 172 R CB 0.006 30.076 30.300 -0.383 0.000 1.049 172 R HN 0.403 nan 8.270 nan 0.000 0.477 173 D N 2.249 122.576 120.400 -0.121 0.000 2.367 173 D HA 0.008 4.648 4.640 -0.000 0.000 0.255 173 D C -0.264 175.990 176.300 -0.078 0.000 1.300 173 D CA 0.199 54.155 54.000 -0.074 0.000 0.959 173 D CB 0.373 41.138 40.800 -0.058 0.000 1.064 173 D HN 0.487 nan 8.370 nan 0.000 0.509 174 S N 1.950 117.609 115.700 -0.067 0.000 2.740 174 S HA 0.730 5.199 4.470 -0.000 0.000 0.300 174 S C 1.287 175.858 174.600 -0.047 0.000 1.147 174 S CA -0.304 57.860 58.200 -0.060 0.000 0.871 174 S CB 1.172 64.332 63.200 -0.067 0.000 1.173 174 S HN 0.247 nan 8.310 nan 0.000 0.510 175 A N 1.347 124.144 122.820 -0.038 0.000 1.859 175 A HA -0.082 4.237 4.320 -0.000 0.000 0.217 175 A C 2.316 179.878 177.584 -0.037 0.000 1.198 175 A CA 2.866 54.879 52.037 -0.040 0.000 0.629 175 A CB -2.124 16.861 19.000 -0.025 0.000 0.830 175 A HN 1.371 nan 8.150 nan 0.000 0.446 176 T N -3.870 110.688 114.554 0.006 0.000 3.023 176 T HA 0.022 4.372 4.350 -0.000 0.000 0.266 176 T C 1.752 176.510 174.700 0.097 0.000 1.093 176 T CA 1.340 63.476 62.100 0.060 0.000 1.129 176 T CB -0.152 68.777 68.868 0.101 0.000 0.899 176 T HN 0.183 nan 8.240 nan 0.000 0.491 177 M N 2.177 121.809 119.600 0.054 0.000 2.216 177 M HA 0.117 4.597 4.480 -0.000 0.000 0.264 177 M C 2.461 178.760 176.300 -0.000 0.000 1.080 177 M CA 1.842 57.193 55.300 0.084 0.000 1.153 177 M CB -1.147 31.480 32.600 0.044 0.000 1.356 177 M HN 0.640 nan 8.290 nan 0.000 0.432 178 T N -4.350 110.164 114.554 -0.066 0.000 2.987 178 T HA 0.234 4.584 4.350 -0.000 0.000 0.248 178 T C 1.878 176.488 174.700 -0.150 0.000 0.997 178 T CA 0.586 62.624 62.100 -0.103 0.000 1.013 178 T CB -0.631 68.200 68.868 -0.061 0.000 1.077 178 T HN 0.287 nan 8.240 nan 0.000 0.483 179 G N 2.267 110.990 108.800 -0.129 0.000 2.421 179 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.216 179 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.216 179 G C 1.450 176.241 174.900 -0.182 0.000 1.171 179 G CA 0.937 45.959 45.100 -0.129 0.000 0.775 179 G HN 0.518 nan 8.290 nan 0.000 0.543 180 I N 1.961 122.383 120.570 -0.246 0.000 2.090 180 I HA -0.112 4.058 4.170 -0.000 0.000 0.236 180 I C 0.231 176.091 176.117 -0.427 0.000 1.064 180 I CA 1.305 62.420 61.300 -0.309 0.000 1.324 180 I CB -1.188 36.638 38.000 -0.289 0.000 1.044 180 I HN 0.166 nan 8.210 nan 0.000 0.399 181 P HA -0.261 nan 4.420 nan 0.000 0.216 181 P C 1.480 178.635 177.300 -0.242 0.000 1.150 181 P CA 1.816 64.593 63.100 -0.538 0.000 0.843 181 P CB -0.222 31.155 31.700 -0.537 0.000 0.787 182 K N 0.604 120.879 120.400 -0.209 0.000 1.978 182 K HA -0.146 4.173 4.320 -0.000 0.000 0.214 182 K C 2.262 178.797 176.600 -0.108 0.000 1.049 182 K CA 1.750 57.962 56.287 -0.126 0.000 0.939 182 K CB -0.673 31.760 32.500 -0.111 0.000 0.721 182 K HN 0.071 nan 8.250 nan 0.000 0.441 183 I N 1.083 121.582 120.570 -0.118 0.000 2.361 183 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 183 I C 2.419 178.487 176.117 -0.081 0.000 1.133 183 I CA 0.532 61.776 61.300 -0.094 0.000 1.413 183 I CB -0.151 37.789 38.000 -0.099 0.000 1.073 183 I HN 0.235 nan 8.210 nan 0.000 0.424 184 L N 0.778 121.944 121.223 -0.095 0.000 2.240 184 L HA 0.128 4.468 4.340 -0.000 0.000 0.211 184 L C 1.588 178.436 176.870 -0.038 0.000 1.106 184 L CA 1.532 56.338 54.840 -0.057 0.000 0.793 184 L CB -0.445 41.587 42.059 -0.044 0.000 0.927 184 L HN 0.393 nan 8.230 nan 0.000 0.446 185 G N -0.090 108.679 108.800 -0.052 0.000 2.143 185 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.249 185 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.249 185 G C 0.073 174.966 174.900 -0.012 0.000 0.981 185 G CA 0.420 45.502 45.100 -0.031 0.000 0.665 185 G HN 0.782 nan 8.290 nan 0.000 0.528 186 N N -1.723 116.974 118.700 -0.005 0.000 2.823 186 N HA 0.726 5.466 4.740 -0.000 0.000 0.251 186 N C -0.493 175.071 175.510 0.090 0.000 1.392 186 N CA 0.058 53.130 53.050 0.037 0.000 0.864 186 N CB 1.531 40.047 38.487 0.049 0.000 1.481 186 N HN 1.360 nan 8.380 nan 0.000 0.508 187 G N -0.923 107.961 108.800 0.139 0.000 2.387 187 G HA2 0.687 4.646 3.960 -0.000 0.000 0.309 187 G HA3 0.687 4.646 3.960 -0.000 0.000 0.309 187 G C -1.659 173.342 174.900 0.167 0.000 1.641 187 G CA -0.204 45.069 45.100 0.289 0.000 0.904 187 G HN 0.826 nan 8.290 nan 0.000 0.661 188 A N 0.654 123.544 122.820 0.116 0.000 2.387 188 A HA 1.047 5.367 4.320 -0.000 0.000 0.298 188 A C 0.266 177.863 177.584 0.023 0.000 1.165 188 A CA -0.111 51.956 52.037 0.050 0.000 0.814 188 A CB 1.541 20.546 19.000 0.009 0.000 1.357 188 A HN 2.408 nan 8.150 nan 0.000 0.443 189 A N 0.030 122.860 122.820 0.017 0.000 2.274 189 A HA 0.643 4.963 4.320 -0.000 0.000 0.309 189 A C 0.683 178.240 177.584 -0.045 0.000 1.226 189 A CA 0.121 52.168 52.037 0.016 0.000 0.853 189 A CB 0.048 19.086 19.000 0.064 0.000 1.146 189 A HN 1.741 nan 8.150 nan 0.000 0.518 190 G N -0.009 108.743 108.800 -0.080 0.000 2.653 190 G HA2 0.325 4.285 3.960 -0.000 0.000 0.265 190 G HA3 0.325 4.285 3.960 -0.000 0.000 0.265 190 G C 0.324 175.192 174.900 -0.054 0.000 1.237 190 G CA -0.118 44.878 45.100 -0.173 0.000 0.946 190 G HN 0.627 nan 8.290 nan 0.000 0.522 191 Y N -0.618 119.685 120.300 0.005 0.000 2.293 191 Y HA -0.034 4.516 4.550 -0.000 0.000 0.291 191 Y C 2.549 178.456 175.900 0.012 0.000 1.137 191 Y CA 0.513 58.618 58.100 0.009 0.000 1.202 191 Y CB -0.681 37.782 38.460 0.005 0.000 0.990 191 Y HN 0.314 nan 8.280 nan 0.000 0.537 192 L N -0.405 120.914 121.223 0.161 0.000 2.027 192 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 192 L C 2.351 179.274 176.870 0.088 0.000 1.074 192 L CA 1.603 56.505 54.840 0.102 0.000 0.745 192 L CB -0.870 41.236 42.059 0.079 0.000 0.898 192 L HN 0.227 nan 8.230 nan 0.000 0.433 193 M N 0.076 119.741 119.600 0.109 0.000 2.073 193 M HA -0.274 4.205 4.480 -0.000 0.000 0.258 193 M C 2.084 178.444 176.300 0.099 0.000 1.070 193 M CA 2.089 57.475 55.300 0.142 0.000 1.103 193 M CB -0.545 32.133 32.600 0.131 0.000 1.321 193 M HN 0.397 nan 8.290 nan 0.000 0.405 194 E N -0.500 119.761 120.200 0.102 0.000 2.058 194 E HA -0.246 4.103 4.350 -0.000 0.000 0.194 194 E C 2.137 178.766 176.600 0.048 0.000 0.997 194 E CA 1.467 57.921 56.400 0.090 0.000 0.801 194 E CB -0.370 29.405 29.700 0.124 0.000 0.746 194 E HN 0.468 nan 8.360 nan 0.000 0.450 195 K N 0.810 121.239 120.400 0.048 0.000 2.044 195 K HA -0.240 4.080 4.320 -0.000 0.000 0.210 195 K C 1.959 178.533 176.600 -0.044 0.000 1.049 195 K CA 1.440 57.737 56.287 0.017 0.000 0.927 195 K CB 0.040 32.566 32.500 0.043 0.000 0.713 195 K HN 0.106 nan 8.250 nan 0.000 0.443 196 E N 0.507 120.634 120.200 -0.121 0.000 2.028 196 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 196 E C 2.266 178.735 176.600 -0.219 0.000 0.988 196 E CA 1.020 57.209 56.400 -0.352 0.000 0.799 196 E CB -0.290 28.776 29.700 -1.056 0.000 0.755 196 E HN 0.372 nan 8.360 nan 0.000 0.447 197 I N 1.440 121.942 120.570 -0.113 0.000 2.208 197 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 197 I C 2.482 178.665 176.117 0.109 0.000 1.097 197 I CA 1.011 62.383 61.300 0.120 0.000 1.363 197 I CB -0.224 37.875 38.000 0.166 0.000 1.051 197 I HN -0.028 nan 8.210 nan 0.000 0.413 198 S N -0.222 115.501 115.700 0.039 0.000 2.356 198 S HA -0.232 4.237 4.470 -0.000 0.000 0.223 198 S C 1.946 176.508 174.600 -0.063 0.000 1.032 198 S CA 1.305 59.505 58.200 0.001 0.000 1.005 198 S CB -0.515 62.681 63.200 -0.007 0.000 0.867 198 S HN 0.429 nan 8.310 nan 0.000 0.449 199 Y N 1.479 121.648 120.300 -0.218 0.000 2.097 199 Y HA -0.191 4.359 4.550 -0.000 0.000 0.282 199 Y C 1.871 177.578 175.900 -0.321 0.000 1.152 199 Y CA 1.443 59.313 58.100 -0.383 0.000 1.136 199 Y CB -0.604 37.371 38.460 -0.809 0.000 0.975 199 Y HN 0.178 nan 8.280 nan 0.000 0.498 200 F N -0.112 119.852 119.950 0.025 0.000 2.171 200 F HA -0.180 4.346 4.527 -0.001 0.000 0.300 200 F C 2.559 178.348 175.800 -0.018 0.000 1.090 200 F CA 1.243 59.288 58.000 0.074 0.000 1.293 200 F CB -1.219 37.887 39.000 0.177 0.000 1.013 200 F HN 0.181 nan 8.300 nan 0.000 0.486 201 A N 1.162 124.067 122.820 0.141 0.000 1.842 201 A HA -0.319 4.001 4.320 -0.000 0.000 0.217 201 A C 2.172 179.741 177.584 -0.026 0.000 1.206 201 A CA 2.542 54.619 52.037 0.066 0.000 0.630 201 A CB -0.979 18.048 19.000 0.044 0.000 0.839 201 A HN 0.414 nan 8.150 nan 0.000 0.447 202 K N -0.589 119.739 120.400 -0.121 0.000 2.113 202 K HA -0.063 4.256 4.320 -0.000 0.000 0.208 202 K C 1.407 177.885 176.600 -0.204 0.000 1.047 202 K CA 1.952 58.136 56.287 -0.171 0.000 0.928 202 K CB -0.977 31.388 32.500 -0.226 0.000 0.716 202 K HN 0.183 nan 8.250 nan 0.000 0.446 203 V N 0.831 120.567 119.914 -0.297 0.000 2.535 203 V HA 0.005 4.124 4.120 -0.000 0.000 0.246 203 V C 2.108 178.183 176.094 -0.032 0.000 1.045 203 V CA 1.089 63.251 62.300 -0.229 0.000 1.058 203 V CB -0.244 31.337 31.823 -0.402 0.000 0.689 203 V HN 0.337 nan 8.190 nan 0.000 0.461 204 L N -0.147 121.105 121.223 0.049 0.000 2.395 204 L HA 0.039 4.379 4.340 -0.000 0.000 0.218 204 L C 2.440 179.342 176.870 0.053 0.000 1.130 204 L CA 1.110 56.008 54.840 0.097 0.000 0.826 204 L CB -1.017 41.137 42.059 0.158 0.000 0.941 204 L HN 0.463 nan 8.230 nan 0.000 0.451 205 G N 0.404 109.218 108.800 0.023 0.000 2.524 205 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.215 205 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.215 205 G C 0.546 175.451 174.900 0.009 0.000 1.239 205 G CA 0.476 45.584 45.100 0.013 0.000 0.798 205 G HN 0.390 nan 8.290 nan 0.000 0.557 206 N N 0.699 119.397 118.700 -0.004 0.000 2.648 206 N HA 0.384 5.124 4.740 -0.000 0.000 0.261 206 N C -2.881 172.629 175.510 -0.001 0.000 1.138 206 N CA -1.264 51.786 53.050 0.001 0.000 0.804 206 N CB 2.265 40.750 38.487 -0.004 0.000 1.237 206 N HN 0.065 nan 8.380 nan 0.000 0.532 207 P HA 0.430 nan 4.420 nan 0.000 0.288 207 P C -2.807 174.509 177.300 0.026 0.000 1.267 207 P CA -1.472 61.642 63.100 0.023 0.000 0.815 207 P CB 1.002 32.730 31.700 0.048 0.000 0.989 208 P HA 0.236 nan 4.420 nan 0.000 0.265 208 P C -0.106 177.217 177.300 0.038 0.000 1.193 208 P CA 0.258 63.375 63.100 0.028 0.000 0.765 208 P CB 0.396 32.114 31.700 0.030 0.000 0.823 209 R N 3.994 124.515 120.500 0.035 0.000 2.732 209 R HA 0.569 4.909 4.340 -0.000 0.000 0.278 209 R C -2.319 174.010 176.300 0.049 0.000 0.976 209 R CA -2.163 53.964 56.100 0.045 0.000 0.963 209 R CB 0.132 30.453 30.300 0.035 0.000 1.150 209 R HN 0.294 nan 8.270 nan 0.000 0.478 210 P HA 0.125 nan 4.420 nan 0.000 0.274 210 P C -1.268 176.099 177.300 0.112 0.000 1.237 210 P CA -0.478 62.693 63.100 0.119 0.000 0.793 210 P CB 0.573 32.415 31.700 0.237 0.000 0.977 211 L N 3.167 124.466 121.223 0.127 0.000 2.319 211 L HA 0.550 4.890 4.340 -0.000 0.000 0.281 211 L C -1.143 175.811 176.870 0.141 0.000 1.005 211 L CA -0.631 54.275 54.840 0.108 0.000 0.828 211 L CB 1.292 43.403 42.059 0.086 0.000 1.227 211 L HN 0.113 nan 8.230 nan 0.000 0.415 212 V N 5.545 125.520 119.914 0.102 0.000 2.483 212 V HA 0.908 5.028 4.120 -0.000 0.000 0.295 212 V C -0.131 175.998 176.094 0.058 0.000 1.035 212 V CA -0.012 62.337 62.300 0.081 0.000 0.896 212 V CB 1.537 33.332 31.823 -0.047 0.000 0.986 212 V HN 1.049 nan 8.190 nan 0.000 0.447 213 A N 7.341 130.193 122.820 0.053 0.000 2.271 213 A HA 0.820 5.140 4.320 -0.000 0.000 0.317 213 A C -0.828 176.773 177.584 0.027 0.000 1.245 213 A CA -0.496 51.581 52.037 0.067 0.000 0.857 213 A CB 0.546 19.586 19.000 0.066 0.000 1.175 213 A HN 0.791 nan 8.150 nan 0.000 0.512 214 I N 2.895 123.511 120.570 0.077 0.000 2.328 214 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 214 I C -0.106 176.155 176.117 0.240 0.000 1.012 214 I CA -0.431 60.901 61.300 0.053 0.000 1.195 214 I CB 1.745 39.705 38.000 -0.067 0.000 1.350 214 I HN 0.362 nan 8.210 nan 0.000 0.464 215 V N 6.397 126.399 119.914 0.147 0.000 2.487 215 V HA 0.996 5.115 4.120 -0.000 0.000 0.298 215 V C -0.160 176.037 176.094 0.172 0.000 1.028 215 V CA 0.215 62.619 62.300 0.174 0.000 0.860 215 V CB 1.109 32.998 31.823 0.109 0.000 0.991 215 V HN 0.791 nan 8.190 nan 0.000 0.427 216 G N 3.589 112.511 108.800 0.203 0.000 3.137 216 G HA2 0.841 4.801 3.960 -0.000 0.000 0.196 216 G HA3 0.841 4.801 3.960 -0.000 0.000 0.196 216 G C 0.446 175.428 174.900 0.136 0.000 1.135 216 G CA -0.132 45.077 45.100 0.181 0.000 0.803 216 G HN 2.054 nan 8.290 nan 0.000 0.619 217 G N -0.800 108.085 108.800 0.142 0.000 2.512 217 G HA2 0.348 4.308 3.960 -0.000 0.000 0.254 217 G HA3 0.348 4.308 3.960 -0.000 0.000 0.254 217 G C 0.492 175.472 174.900 0.134 0.000 1.199 217 G CA 1.282 46.456 45.100 0.125 0.000 0.941 217 G HN 2.145 nan 8.290 nan 0.000 0.569 218 A N -1.586 121.304 122.820 0.117 0.000 3.969 218 A HA 0.866 5.186 4.320 -0.000 0.000 0.168 218 A C 0.891 178.528 177.584 0.087 0.000 0.806 218 A CA 1.007 53.112 52.037 0.114 0.000 0.871 218 A CB -0.098 18.971 19.000 0.115 0.000 1.498 218 A HN 1.848 nan 8.150 nan 0.000 0.779 219 K N -1.033 119.409 120.400 0.071 0.000 3.016 219 K HA -0.174 4.146 4.320 -0.000 0.000 0.262 219 K C 0.784 177.415 176.600 0.051 0.000 1.043 219 K CA 0.434 56.753 56.287 0.053 0.000 0.761 219 K CB -2.147 30.385 32.500 0.052 0.000 1.230 219 K HN 0.440 nan 8.250 nan 0.000 0.485 220 V N 0.360 120.311 119.914 0.061 0.000 2.250 220 V HA -0.407 3.712 4.120 -0.000 0.000 0.250 220 V C 2.485 178.594 176.094 0.025 0.000 1.060 220 V CA 2.480 64.817 62.300 0.063 0.000 1.030 220 V CB -0.752 31.115 31.823 0.072 0.000 0.643 220 V HN 0.723 nan 8.190 nan 0.000 0.445 221 S N 0.915 116.610 115.700 -0.008 0.000 2.387 221 S HA -0.302 4.168 4.470 -0.000 0.000 0.230 221 S C 1.436 175.991 174.600 -0.074 0.000 1.035 221 S CA 2.161 60.325 58.200 -0.061 0.000 1.014 221 S CB -0.737 62.427 63.200 -0.060 0.000 0.836 221 S HN 0.762 nan 8.310 nan 0.000 0.466 222 D N 1.248 121.631 120.400 -0.028 0.000 2.197 222 D HA 0.108 4.748 4.640 -0.000 0.000 0.212 222 D C 1.947 178.255 176.300 0.013 0.000 0.963 222 D CA 0.727 54.716 54.000 -0.018 0.000 0.864 222 D CB -0.196 40.606 40.800 0.004 0.000 1.009 222 D HN 0.345 nan 8.370 nan 0.000 0.479 223 K N 0.607 121.031 120.400 0.040 0.000 2.103 223 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 223 K C 2.060 178.725 176.600 0.108 0.000 1.048 223 K CA 0.682 57.012 56.287 0.071 0.000 0.930 223 K CB -0.153 32.395 32.500 0.079 0.000 0.716 223 K HN 0.141 nan 8.250 nan 0.000 0.444 224 I N 1.188 121.824 120.570 0.110 0.000 2.361 224 I HA -0.292 3.877 4.170 -0.000 0.000 0.251 224 I C 1.690 177.956 176.117 0.248 0.000 1.133 224 I CA 1.353 62.773 61.300 0.201 0.000 1.413 224 I CB 0.081 38.160 38.000 0.132 0.000 1.073 224 I HN 0.310 nan 8.210 nan 0.000 0.424 225 Q N 0.064 119.912 119.800 0.079 0.000 2.472 225 Q HA -0.050 4.290 4.340 -0.000 0.000 0.208 225 Q C 1.894 177.994 176.000 0.166 0.000 0.958 225 Q CA 0.760 56.618 55.803 0.092 0.000 0.932 225 Q CB 0.183 28.873 28.738 -0.080 0.000 1.007 225 Q HN 0.576 nan 8.270 nan 0.000 0.508 226 L N -0.370 120.937 121.223 0.140 0.000 2.477 226 L HA 0.011 4.351 4.340 -0.000 0.000 0.220 226 L C 2.015 178.961 176.870 0.127 0.000 1.106 226 L CA 0.180 55.088 54.840 0.113 0.000 0.851 226 L CB -0.204 41.901 42.059 0.077 0.000 0.994 226 L HN 0.194 nan 8.230 nan 0.000 0.462 227 L N -0.077 121.250 121.223 0.174 0.000 2.046 227 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 227 L C 2.204 179.148 176.870 0.124 0.000 1.077 227 L CA 1.149 56.083 54.840 0.155 0.000 0.747 227 L CB -0.556 41.633 42.059 0.216 0.000 0.896 227 L HN 0.260 nan 8.230 nan 0.000 0.432 228 D N 0.486 120.976 120.400 0.149 0.000 2.104 228 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 228 D C 1.601 177.941 176.300 0.066 0.000 0.994 228 D CA 1.413 55.463 54.000 0.084 0.000 0.830 228 D CB -0.379 40.471 40.800 0.084 0.000 0.959 228 D HN 0.495 nan 8.370 nan 0.000 0.452 229 N N 0.710 119.459 118.700 0.081 0.000 2.501 229 N HA -0.082 4.658 4.740 -0.000 0.000 0.195 229 N C 1.400 176.940 175.510 0.050 0.000 1.213 229 N CA 0.229 53.315 53.050 0.060 0.000 0.864 229 N CB -0.122 38.402 38.487 0.061 0.000 0.999 229 N HN 0.414 nan 8.380 nan 0.000 0.454 230 M N -2.817 116.813 119.600 0.051 0.000 2.289 230 M HA 0.305 4.785 4.480 -0.000 0.000 0.335 230 M C 0.721 177.042 176.300 0.035 0.000 0.961 230 M CA -0.164 55.164 55.300 0.046 0.000 1.018 230 M CB 0.105 32.738 32.600 0.054 0.000 1.678 230 M HN -0.159 nan 8.290 nan 0.000 0.589 231 L N 0.896 122.135 121.223 0.027 0.000 2.201 231 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 231 L C 1.999 178.871 176.870 0.004 0.000 1.105 231 L CA 1.148 55.993 54.840 0.009 0.000 0.775 231 L CB -0.601 41.460 42.059 0.002 0.000 0.913 231 L HN 0.431 nan 8.230 nan 0.000 0.440 232 Q N -0.347 119.460 119.800 0.011 0.000 2.172 232 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 232 Q C 2.164 178.172 176.000 0.013 0.000 0.964 232 Q CA 0.976 56.784 55.803 0.009 0.000 0.855 232 Q CB -0.141 28.606 28.738 0.014 0.000 0.918 232 Q HN 0.350 nan 8.270 nan 0.000 0.444 233 R N 0.503 121.017 120.500 0.024 0.000 2.112 233 R HA 0.209 4.548 4.340 -0.000 0.000 0.216 233 R C 1.347 177.668 176.300 0.034 0.000 1.080 233 R CA 0.340 56.460 56.100 0.033 0.000 0.996 233 R CB -0.590 29.739 30.300 0.049 0.000 0.902 233 R HN 0.421 nan 8.270 nan 0.000 0.449 234 I N -0.671 119.917 120.570 0.030 0.000 2.834 234 I HA 0.234 4.403 4.170 -0.000 0.000 0.305 234 I C 0.071 176.187 176.117 -0.000 0.000 1.008 234 I CA -0.381 60.939 61.300 0.033 0.000 1.273 234 I CB 1.040 39.064 38.000 0.041 0.000 1.432 234 I HN -0.239 nan 8.210 nan 0.000 0.557 235 D N 1.280 121.685 120.400 0.009 0.000 2.470 235 D HA 0.141 4.780 4.640 -0.000 0.000 0.238 235 D C -0.579 175.569 176.300 -0.252 0.000 1.054 235 D CA 1.048 54.986 54.000 -0.104 0.000 0.896 235 D CB 0.448 41.218 40.800 -0.050 0.000 1.118 235 D HN 0.513 nan 8.370 nan 0.000 0.497 236 Y N -0.031 120.240 120.300 -0.048 0.000 2.512 236 Y HA 0.475 5.025 4.550 -0.000 0.000 0.348 236 Y C -0.866 174.977 175.900 -0.097 0.000 0.990 236 Y CA -1.185 56.868 58.100 -0.079 0.000 1.033 236 Y CB 2.404 40.808 38.460 -0.094 0.000 1.259 236 Y HN -0.282 nan 8.280 nan 0.000 0.461 237 L N 4.311 125.556 121.223 0.037 0.000 2.427 237 L HA 0.530 4.870 4.340 -0.000 0.000 0.264 237 L C -1.822 174.950 176.870 -0.164 0.000 0.989 237 L CA -0.458 54.346 54.840 -0.061 0.000 0.865 237 L CB 0.744 42.752 42.059 -0.086 0.000 1.209 237 L HN 0.556 nan 8.230 nan 0.000 0.430 238 L N 5.832 126.902 121.223 -0.254 0.000 2.292 238 L HA 0.491 4.831 4.340 -0.000 0.000 0.284 238 L C -0.428 176.252 176.870 -0.316 0.000 1.065 238 L CA -0.279 54.236 54.840 -0.542 0.000 0.806 238 L CB 1.306 42.858 42.059 -0.845 0.000 1.175 238 L HN 0.539 nan 8.230 nan 0.000 0.431 239 I N 2.492 122.934 120.570 -0.213 0.000 2.418 239 I HA 0.566 4.736 4.170 -0.000 0.000 0.287 239 I C 0.421 176.619 176.117 0.135 0.000 1.008 239 I CA -0.154 61.120 61.300 -0.043 0.000 1.104 239 I CB 1.921 39.818 38.000 -0.172 0.000 1.264 239 I HN 0.695 nan 8.210 nan 0.000 0.438 240 G N 2.935 111.820 108.800 0.142 0.000 3.166 240 G HA2 0.747 4.707 3.960 -0.000 0.000 0.267 240 G HA3 0.747 4.707 3.960 -0.000 0.000 0.267 240 G C -0.066 174.872 174.900 0.063 0.000 1.256 240 G CA -0.322 44.856 45.100 0.130 0.000 0.859 240 G HN 0.956 nan 8.290 nan 0.000 0.590 241 G N -0.878 107.973 108.800 0.084 0.000 2.601 241 G HA2 0.204 4.164 3.960 -0.000 0.000 0.261 241 G HA3 0.204 4.164 3.960 -0.000 0.000 0.261 241 G C 1.397 176.315 174.900 0.030 0.000 1.289 241 G CA 1.398 46.564 45.100 0.111 0.000 0.920 241 G HN 1.915 nan 8.290 nan 0.000 0.571 242 A N -1.615 121.286 122.820 0.135 0.000 2.014 242 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 242 A C 2.436 180.044 177.584 0.040 0.000 1.163 242 A CA 2.922 55.079 52.037 0.201 0.000 0.652 242 A CB -0.378 18.770 19.000 0.246 0.000 0.808 242 A HN 1.708 nan 8.150 nan 0.000 0.449 243 M N 0.639 120.270 119.600 0.051 0.000 2.143 243 M HA -0.192 4.288 4.480 -0.000 0.000 0.258 243 M C 2.048 178.427 176.300 0.132 0.000 1.071 243 M CA 2.004 57.376 55.300 0.120 0.000 1.088 243 M CB -0.542 32.149 32.600 0.153 0.000 1.360 243 M HN 0.380 nan 8.290 nan 0.000 0.404 244 A N -0.656 122.097 122.820 -0.112 0.000 1.883 244 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 244 A C 1.937 179.469 177.584 -0.087 0.000 1.186 244 A CA 2.048 54.004 52.037 -0.135 0.000 0.624 244 A CB -1.458 17.337 19.000 -0.342 0.000 0.822 244 A HN 0.681 nan 8.150 nan 0.000 0.444 245 Y N 0.781 121.194 120.300 0.188 0.000 2.151 245 Y HA -0.195 4.355 4.550 -0.000 0.000 0.284 245 Y C 2.907 178.883 175.900 0.126 0.000 1.166 245 Y CA 1.397 59.572 58.100 0.126 0.000 1.163 245 Y CB -1.702 36.792 38.460 0.058 0.000 0.974 245 Y HN 0.256 nan 8.280 nan 0.000 0.511 246 T N 0.296 114.956 114.554 0.176 0.000 2.720 246 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 246 T C 1.677 176.377 174.700 -0.001 0.000 1.037 246 T CA 1.649 63.775 62.100 0.044 0.000 1.144 246 T CB -0.657 68.168 68.868 -0.070 0.000 0.864 246 T HN 0.176 nan 8.240 nan 0.000 0.444 247 F N 1.031 121.046 119.950 0.108 0.000 2.113 247 F HA 0.072 4.599 4.527 -0.000 0.000 0.297 247 F C 2.182 178.076 175.800 0.157 0.000 1.103 247 F CA 0.798 58.866 58.000 0.113 0.000 1.248 247 F CB -0.637 38.414 39.000 0.085 0.000 0.999 247 F HN 0.064 nan 8.300 nan 0.000 0.475 248 L N -0.158 121.286 121.223 0.368 0.000 2.046 248 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 248 L C 2.516 179.623 176.870 0.396 0.000 1.077 248 L CA 1.492 56.568 54.840 0.393 0.000 0.747 248 L CB -0.645 41.607 42.059 0.321 0.000 0.896 248 L HN 0.107 nan 8.230 nan 0.000 0.432 249 K N 0.329 120.889 120.400 0.267 0.000 2.097 249 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 249 K C 2.139 178.817 176.600 0.129 0.000 1.050 249 K CA 1.181 57.578 56.287 0.184 0.000 0.938 249 K CB -0.040 32.539 32.500 0.131 0.000 0.718 249 K HN 0.267 nan 8.250 nan 0.000 0.442 250 A N 1.062 123.951 122.820 0.115 0.000 2.019 250 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 250 A C 1.823 179.460 177.584 0.088 0.000 1.164 250 A CA 1.323 53.404 52.037 0.073 0.000 0.644 250 A CB -0.322 18.701 19.000 0.038 0.000 0.805 250 A HN 0.455 nan 8.150 nan 0.000 0.449 251 Q N -2.096 117.793 119.800 0.149 0.000 2.389 251 Q HA 0.222 4.562 4.340 -0.000 0.000 0.204 251 Q C 1.042 176.996 176.000 -0.077 0.000 0.944 251 Q CA 0.503 56.369 55.803 0.105 0.000 0.908 251 Q CB 0.171 29.077 28.738 0.281 0.000 1.002 251 Q HN 0.894 nan 8.270 nan 0.000 0.493 252 G N -0.228 108.540 108.800 -0.053 0.000 2.141 252 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.164 252 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.164 252 G C -0.585 174.174 174.900 -0.234 0.000 1.009 252 G CA -0.586 44.418 45.100 -0.159 0.000 0.677 252 G HN 0.172 nan 8.290 nan 0.000 0.508 253 Y N 0.899 121.248 120.300 0.082 0.000 2.488 253 Y HA 0.679 5.229 4.550 -0.001 0.000 0.325 253 Y C 1.090 177.035 175.900 0.075 0.000 1.204 253 Y CA -0.523 57.630 58.100 0.088 0.000 1.229 253 Y CB 1.512 40.049 38.460 0.128 0.000 1.274 253 Y HN 0.091 nan 8.280 nan 0.000 0.493 254 S N 1.671 117.522 115.700 0.253 0.000 2.499 254 S HA 0.152 4.621 4.470 -0.000 0.000 0.275 254 S C 0.359 175.025 174.600 0.110 0.000 1.257 254 S CA -0.293 57.988 58.200 0.135 0.000 1.050 254 S CB 0.427 63.685 63.200 0.096 0.000 0.937 254 S HN 0.459 nan 8.310 nan 0.000 0.490 255 I N 2.600 123.207 120.570 0.061 0.000 3.941 255 I HA 0.232 4.401 4.170 -0.000 0.000 0.321 255 I C 1.558 177.613 176.117 -0.103 0.000 1.284 255 I CA 0.579 61.875 61.300 -0.006 0.000 1.226 255 I CB -1.086 36.951 38.000 0.062 0.000 1.045 255 I HN 0.956 nan 8.210 nan 0.000 0.420 256 G N 1.240 110.011 108.800 -0.048 0.000 2.596 256 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.295 256 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.295 256 G C 0.869 175.730 174.900 -0.066 0.000 1.240 256 G CA 0.306 45.377 45.100 -0.049 0.000 0.985 256 G HN 0.317 nan 8.290 nan 0.000 0.555 257 K N 0.998 121.350 120.400 -0.080 0.000 2.520 257 K HA 0.323 4.643 4.320 -0.000 0.000 0.205 257 K C 0.735 177.265 176.600 -0.117 0.000 1.035 257 K CA 0.299 56.539 56.287 -0.078 0.000 1.188 257 K CB 0.150 32.611 32.500 -0.065 0.000 0.894 257 K HN 0.350 nan 8.250 nan 0.000 0.497 258 S N 1.595 117.166 115.700 -0.215 0.000 2.593 258 S HA 0.057 4.527 4.470 -0.000 0.000 0.269 258 S C 0.256 174.770 174.600 -0.143 0.000 1.334 258 S CA -0.515 57.472 58.200 -0.354 0.000 1.015 258 S CB 0.954 63.587 63.200 -0.944 0.000 0.912 258 S HN 0.132 nan 8.310 nan 0.000 0.541 259 K N 1.096 121.479 120.400 -0.029 0.000 2.484 259 K HA 0.100 4.420 4.320 -0.000 0.000 0.280 259 K C -0.542 176.171 176.600 0.188 0.000 1.013 259 K CA 0.159 56.515 56.287 0.115 0.000 1.029 259 K CB -0.094 32.522 32.500 0.193 0.000 0.902 259 K HN 0.749 nan 8.250 nan 0.000 0.481 260 C N 4.329 123.699 119.300 0.116 0.000 2.985 260 C HA 0.355 4.815 4.460 -0.000 0.000 0.332 260 C C -1.168 173.857 174.990 0.059 0.000 1.164 260 C CA -0.694 58.393 59.018 0.114 0.000 1.347 260 C CB 1.439 29.240 27.740 0.102 0.000 1.764 260 C HN 0.829 nan 8.230 nan 0.000 0.489 261 E N 3.287 123.510 120.200 0.038 0.000 2.026 261 E HA 0.150 4.499 4.350 -0.000 0.000 0.253 261 E C 1.027 177.625 176.600 -0.003 0.000 1.056 261 E CA -0.152 56.250 56.400 0.004 0.000 0.927 261 E CB 0.712 30.399 29.700 -0.022 0.000 1.172 261 E HN 0.653 nan 8.360 nan 0.000 0.445 262 E N 0.321 120.525 120.200 0.006 0.000 2.233 262 E HA -0.162 4.187 4.350 -0.000 0.000 0.199 262 E C 1.216 177.815 176.600 -0.001 0.000 1.004 262 E CA 1.150 57.554 56.400 0.006 0.000 0.819 262 E CB 0.041 29.745 29.700 0.007 0.000 0.738 262 E HN 0.280 nan 8.360 nan 0.000 0.478 263 S N -0.286 115.407 115.700 -0.011 0.000 2.671 263 S HA 0.167 4.637 4.470 -0.000 0.000 0.220 263 S C 1.294 175.884 174.600 -0.017 0.000 0.951 263 S CA 0.079 58.271 58.200 -0.014 0.000 0.932 263 S CB 0.304 63.489 63.200 -0.025 0.000 0.777 263 S HN -0.075 nan 8.310 nan 0.000 0.508 264 K N 0.453 120.844 120.400 -0.016 0.000 2.477 264 K HA 0.513 4.833 4.320 -0.000 0.000 0.208 264 K C 1.185 177.801 176.600 0.027 0.000 1.117 264 K CA -0.029 56.259 56.287 0.001 0.000 1.039 264 K CB -0.157 32.306 32.500 -0.062 0.000 0.937 264 K HN 0.246 nan 8.250 nan 0.000 0.570 265 L N 0.705 121.929 121.223 0.001 0.000 2.013 265 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 265 L C 1.729 178.604 176.870 0.007 0.000 1.073 265 L CA 1.673 56.507 54.840 -0.009 0.000 0.753 265 L CB -0.266 41.797 42.059 0.007 0.000 0.890 265 L HN 0.287 nan 8.230 nan 0.000 0.432 266 E N -0.666 119.557 120.200 0.038 0.000 2.106 266 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 266 E C 2.059 178.683 176.600 0.039 0.000 0.984 266 E CA 1.017 57.438 56.400 0.036 0.000 0.806 266 E CB -0.120 29.606 29.700 0.043 0.000 0.750 266 E HN 0.368 nan 8.360 nan 0.000 0.458 267 F N 1.646 121.565 119.950 -0.053 0.000 2.134 267 F HA -0.202 4.325 4.527 0.000 0.000 0.299 267 F C 2.259 178.016 175.800 -0.071 0.000 1.097 267 F CA 1.453 59.423 58.000 -0.050 0.000 1.264 267 F CB -0.239 38.725 39.000 -0.060 0.000 1.001 267 F HN -0.059 nan 8.300 nan 0.000 0.479 268 A N 0.355 123.145 122.820 -0.050 0.000 1.883 268 A HA -0.212 4.107 4.320 -0.000 0.000 0.217 268 A C 2.350 179.919 177.584 -0.024 0.000 1.186 268 A CA 1.800 53.670 52.037 -0.279 0.000 0.624 268 A CB -0.797 17.829 19.000 -0.623 0.000 0.822 268 A HN 0.423 nan 8.150 nan 0.000 0.444 269 R N -0.909 119.581 120.500 -0.018 0.000 2.081 269 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 269 R C 2.638 178.932 176.300 -0.010 0.000 1.131 269 R CA 1.498 57.612 56.100 0.024 0.000 0.960 269 R CB -0.322 29.986 30.300 0.013 0.000 0.856 269 R HN 0.554 nan 8.270 nan 0.000 0.436 270 S N 0.674 116.321 115.700 -0.088 0.000 2.383 270 S HA -0.060 4.409 4.470 -0.000 0.000 0.227 270 S C 1.847 176.365 174.600 -0.137 0.000 1.026 270 S CA 0.735 58.859 58.200 -0.127 0.000 0.981 270 S CB -0.069 63.007 63.200 -0.206 0.000 0.818 270 S HN 0.314 nan 8.310 nan 0.000 0.472 271 L N 0.933 122.050 121.223 -0.177 0.000 2.093 271 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 271 L C 2.080 178.972 176.870 0.036 0.000 1.085 271 L CA 1.173 55.960 54.840 -0.089 0.000 0.755 271 L CB -0.213 41.840 42.059 -0.010 0.000 0.904 271 L HN 0.361 nan 8.230 nan 0.000 0.435 272 L N -0.633 120.651 121.223 0.101 0.000 2.141 272 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 272 L C 2.564 179.450 176.870 0.025 0.000 1.094 272 L CA 0.812 55.703 54.840 0.085 0.000 0.763 272 L CB -0.418 41.724 42.059 0.139 0.000 0.908 272 L HN 0.177 nan 8.230 nan 0.000 0.437 273 K N 0.770 121.174 120.400 0.007 0.000 2.002 273 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 273 K C 2.027 178.616 176.600 -0.019 0.000 1.048 273 K CA 1.445 57.727 56.287 -0.009 0.000 0.930 273 K CB -0.114 32.374 32.500 -0.019 0.000 0.714 273 K HN 0.152 nan 8.250 nan 0.000 0.438 274 K N -0.103 120.279 120.400 -0.030 0.000 2.063 274 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 274 K C 2.139 178.724 176.600 -0.025 0.000 1.048 274 K CA 1.313 57.582 56.287 -0.031 0.000 0.928 274 K CB -0.286 32.188 32.500 -0.042 0.000 0.713 274 K HN 0.156 nan 8.250 nan 0.000 0.442 275 A N 2.131 124.938 122.820 -0.022 0.000 1.873 275 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 275 A C 2.035 179.597 177.584 -0.036 0.000 1.193 275 A CA 1.780 53.799 52.037 -0.029 0.000 0.629 275 A CB -0.511 18.470 19.000 -0.032 0.000 0.826 275 A HN 0.338 nan 8.150 nan 0.000 0.447 276 E N -0.317 119.866 120.200 -0.028 0.000 2.038 276 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 276 E C 1.684 178.265 176.600 -0.032 0.000 1.000 276 E CA 1.331 57.713 56.400 -0.031 0.000 0.803 276 E CB -0.335 29.354 29.700 -0.019 0.000 0.750 276 E HN 0.559 nan 8.360 nan 0.000 0.448 277 D N 0.213 120.598 120.400 -0.025 0.000 2.149 277 D HA -0.136 4.503 4.640 -0.000 0.000 0.198 277 D C 1.538 177.822 176.300 -0.026 0.000 0.990 277 D CA 0.942 54.928 54.000 -0.023 0.000 0.839 277 D CB -0.067 40.721 40.800 -0.020 0.000 0.948 277 D HN -0.007 nan 8.370 nan 0.000 0.460 278 R N 0.619 121.102 120.500 -0.028 0.000 2.335 278 R HA 0.146 4.486 4.340 -0.000 0.000 0.223 278 R C 0.172 176.447 176.300 -0.042 0.000 0.940 278 R CA -0.242 55.841 56.100 -0.029 0.000 1.086 278 R CB -0.339 29.948 30.300 -0.023 0.000 1.073 278 R HN 0.211 nan 8.270 nan 0.000 0.504 279 K N 0.367 120.736 120.400 -0.052 0.000 3.244 279 K HA -0.122 4.198 4.320 -0.000 0.000 0.270 279 K C -0.953 175.582 176.600 -0.109 0.000 1.016 279 K CA 0.459 56.701 56.287 -0.075 0.000 0.754 279 K CB -1.341 31.118 32.500 -0.069 0.000 1.326 279 K HN -0.039 nan 8.250 nan 0.000 0.465 280 V N 1.359 121.211 119.914 -0.104 0.000 2.409 280 V HA 0.142 4.261 4.120 -0.000 0.000 0.291 280 V C 0.371 176.378 176.094 -0.145 0.000 1.020 280 V CA -0.555 61.668 62.300 -0.128 0.000 0.848 280 V CB 1.590 33.367 31.823 -0.077 0.000 0.990 280 V HN 0.271 nan 8.190 nan 0.000 0.430 281 Q N 3.902 123.562 119.800 -0.233 0.000 2.369 281 Q HA 0.375 4.715 4.340 -0.000 0.000 0.247 281 Q C -0.896 175.063 176.000 -0.068 0.000 1.083 281 Q CA -0.253 55.447 55.803 -0.171 0.000 0.905 281 Q CB 1.130 29.696 28.738 -0.287 0.000 1.305 281 Q HN 0.651 nan 8.270 nan 0.000 0.465 282 V N 6.318 126.193 119.914 -0.066 0.000 2.498 282 V HA 0.331 4.451 4.120 -0.000 0.000 0.279 282 V C 0.197 176.253 176.094 -0.062 0.000 1.048 282 V CA -0.144 62.103 62.300 -0.088 0.000 0.967 282 V CB 1.114 32.859 31.823 -0.130 0.000 0.988 282 V HN 0.681 nan 8.190 nan 0.000 0.473 283 I N 5.923 126.439 120.570 -0.090 0.000 2.498 283 I HA 0.502 4.672 4.170 -0.000 0.000 0.290 283 I C -0.557 175.549 176.117 -0.019 0.000 1.032 283 I CA -0.400 60.879 61.300 -0.035 0.000 1.073 283 I CB 1.939 39.924 38.000 -0.025 0.000 1.251 283 I HN 0.388 nan 8.210 nan 0.000 0.426 284 L N 6.057 127.315 121.223 0.059 0.000 2.286 284 L HA 0.606 4.946 4.340 -0.000 0.000 0.265 284 L C -2.374 174.557 176.870 0.103 0.000 1.012 284 L CA -1.971 52.920 54.840 0.085 0.000 0.818 284 L CB 1.753 43.832 42.059 0.033 0.000 1.337 284 L HN 0.261 nan 8.230 nan 0.000 0.438 285 P HA 0.082 nan 4.420 nan 0.000 0.264 285 P C 0.273 177.416 177.300 -0.261 0.000 1.183 285 P CA 0.429 63.427 63.100 -0.169 0.000 0.763 285 P CB 0.663 32.266 31.700 -0.161 0.000 0.807 286 I N 1.095 121.488 120.570 -0.295 0.000 3.081 286 I HA 0.024 4.193 4.170 -0.000 0.000 0.274 286 I C 0.632 176.547 176.117 -0.337 0.000 1.178 286 I CA 0.858 62.006 61.300 -0.252 0.000 1.460 286 I CB 0.101 38.003 38.000 -0.164 0.000 1.137 286 I HN 0.455 nan 8.210 nan 0.000 0.443 287 D N -1.596 118.540 120.400 -0.440 0.000 2.610 287 D HA 0.394 5.034 4.640 -0.000 0.000 0.271 287 D C -0.658 175.295 176.300 -0.579 0.000 1.174 287 D CA -0.481 53.267 54.000 -0.420 0.000 0.949 287 D CB 1.248 41.936 40.800 -0.186 0.000 1.430 287 D HN -0.091 nan 8.370 nan 0.000 0.467 288 H N -1.781 117.281 119.070 -0.014 0.000 2.977 288 H HA 0.586 5.142 4.556 -0.000 0.000 0.350 288 H C -0.915 174.426 175.328 0.020 0.000 1.238 288 H CA -0.897 55.162 56.048 0.019 0.000 1.124 288 H CB 1.950 31.745 29.762 0.055 0.000 1.866 288 H HN 0.150 nan 8.280 nan 0.000 0.550 289 V N 1.734 121.758 119.914 0.183 0.000 2.384 289 V HA 0.331 4.451 4.120 -0.000 0.000 0.287 289 V C 0.026 176.171 176.094 0.086 0.000 1.020 289 V CA -0.317 62.069 62.300 0.142 0.000 0.850 289 V CB 0.771 32.704 31.823 0.183 0.000 0.987 289 V HN 0.781 nan 8.190 nan 0.000 0.436 290 C N 3.411 122.775 119.300 0.107 0.000 3.108 290 C HA 0.914 5.374 4.460 -0.000 0.000 0.321 290 C C -0.442 174.692 174.990 0.239 0.000 1.357 290 C CA -0.686 58.383 59.018 0.084 0.000 1.562 290 C CB 1.952 29.761 27.740 0.115 0.000 2.003 290 C HN 0.994 nan 8.230 nan 0.000 0.460 291 H N -1.290 117.809 119.070 0.049 0.000 3.003 291 H HA 0.361 4.917 4.556 -0.000 0.000 0.327 291 H C 0.636 175.857 175.328 -0.179 0.000 1.353 291 H CA 0.445 56.500 56.048 0.012 0.000 1.142 291 H CB 1.234 31.009 29.762 0.021 0.000 1.864 291 H HN 0.684 nan 8.280 nan 0.000 0.529 292 T N -0.742 113.138 114.554 -1.123 0.000 3.055 292 T HA 0.089 4.439 4.350 -0.000 0.000 0.265 292 T C 0.255 174.639 174.700 -0.526 0.000 1.111 292 T CA 1.041 62.632 62.100 -0.848 0.000 1.118 292 T CB -0.066 68.339 68.868 -0.772 0.000 0.909 292 T HN 0.609 nan 8.240 nan 0.000 0.501 293 E N -0.665 119.231 120.200 -0.506 0.000 2.413 293 E HA 0.376 4.725 4.350 -0.000 0.000 0.277 293 E C -1.444 175.279 176.600 0.206 0.000 0.958 293 E CA -1.217 55.150 56.400 -0.055 0.000 0.779 293 E CB 0.477 30.172 29.700 -0.008 0.000 1.278 293 E HN -0.000 nan 8.360 nan 0.000 0.456 294 F N 1.980 121.958 119.950 0.046 0.000 2.626 294 F HA 0.219 4.746 4.527 -0.000 0.000 0.374 294 F C -0.479 175.405 175.800 0.139 0.000 1.184 294 F CA 0.525 58.564 58.000 0.065 0.000 1.339 294 F CB -0.310 38.702 39.000 0.020 0.000 1.730 294 F HN 0.229 nan 8.300 nan 0.000 0.650 295 K N 1.912 122.474 120.400 0.270 0.000 2.498 295 K HA 0.633 4.953 4.320 -0.000 0.000 0.254 295 K C -0.724 175.974 176.600 0.163 0.000 0.933 295 K CA -1.090 55.326 56.287 0.214 0.000 0.806 295 K CB 1.881 34.502 32.500 0.201 0.000 1.301 295 K HN 0.174 nan 8.250 nan 0.000 0.432 296 A N 1.415 124.258 122.820 0.038 0.000 2.407 296 A HA 0.475 4.795 4.320 -0.000 0.000 0.248 296 A C -0.594 176.858 177.584 -0.220 0.000 1.082 296 A CA -0.236 51.692 52.037 -0.181 0.000 0.785 296 A CB 0.714 19.580 19.000 -0.222 0.000 1.020 296 A HN 0.423 nan 8.150 nan 0.000 0.489 297 V N 2.713 122.433 119.914 -0.323 0.000 2.817 297 V HA 0.350 4.470 4.120 -0.000 0.000 0.303 297 V C -1.522 174.443 176.094 -0.215 0.000 1.151 297 V CA -0.903 61.243 62.300 -0.257 0.000 0.929 297 V CB 1.998 33.600 31.823 -0.368 0.000 1.030 297 V HN 0.992 nan 8.190 nan 0.000 0.427 298 D N 4.001 124.314 120.400 -0.144 0.000 2.455 298 D HA 0.407 5.047 4.640 -0.000 0.000 0.241 298 D C 0.447 176.700 176.300 -0.078 0.000 1.138 298 D CA 1.216 55.151 54.000 -0.109 0.000 0.877 298 D CB 0.659 41.416 40.800 -0.072 0.000 1.187 298 D HN 0.867 nan 8.370 nan 0.000 0.451 299 S N 0.700 116.364 115.700 -0.060 0.000 3.625 299 S HA -0.106 4.363 4.470 -0.000 0.000 0.426 299 S C -2.070 172.536 174.600 0.009 0.000 0.884 299 S CA -0.206 57.984 58.200 -0.018 0.000 1.322 299 S CB -1.351 61.844 63.200 -0.007 0.000 0.905 299 S HN 0.489 nan 8.310 nan 0.000 0.586 300 P HA 0.517 nan 4.420 nan 0.000 0.282 300 P C 0.054 177.441 177.300 0.144 0.000 1.287 300 P CA -0.961 62.207 63.100 0.114 0.000 0.792 300 P CB 0.586 32.420 31.700 0.225 0.000 1.163 301 L N 1.125 122.470 121.223 0.202 0.000 2.410 301 L HA 0.271 4.611 4.340 -0.000 0.000 0.273 301 L C -0.165 176.765 176.870 0.100 0.000 1.144 301 L CA -0.161 54.763 54.840 0.140 0.000 0.863 301 L CB -0.668 41.475 42.059 0.140 0.000 1.140 301 L HN 0.241 nan 8.230 nan 0.000 0.463 302 I N 5.099 125.706 120.570 0.061 0.000 2.382 302 I HA 0.464 4.634 4.170 -0.000 0.000 0.285 302 I C 0.330 176.462 176.117 0.025 0.000 1.007 302 I CA -0.001 61.329 61.300 0.051 0.000 1.142 302 I CB 1.259 39.284 38.000 0.042 0.000 1.289 302 I HN 0.822 nan 8.210 nan 0.000 0.453 303 T N 2.991 117.565 114.554 0.033 0.000 2.766 303 T HA 0.327 4.676 4.350 -0.000 0.000 0.295 303 T C 0.592 175.290 174.700 -0.004 0.000 1.024 303 T CA -0.120 61.992 62.100 0.020 0.000 1.018 303 T CB 0.921 69.833 68.868 0.074 0.000 1.002 303 T HN 0.672 nan 8.240 nan 0.000 0.532 304 E N -0.029 120.168 120.200 -0.006 0.000 2.330 304 E HA 0.180 4.530 4.350 -0.000 0.000 0.200 304 E C 0.120 176.704 176.600 -0.027 0.000 0.922 304 E CA 0.176 56.565 56.400 -0.018 0.000 0.935 304 E CB 0.233 29.930 29.700 -0.005 0.000 0.917 304 E HN 0.640 nan 8.360 nan 0.000 0.491 305 D N 0.107 120.504 120.400 -0.005 0.000 2.564 305 D HA 0.187 4.827 4.640 -0.000 0.000 0.273 305 D C 0.883 177.151 176.300 -0.053 0.000 1.192 305 D CA -0.269 53.727 54.000 -0.006 0.000 1.080 305 D CB 0.827 41.664 40.800 0.062 0.000 1.160 305 D HN -0.254 nan 8.370 nan 0.000 0.607 306 Q N -0.427 119.304 119.800 -0.115 0.000 2.398 306 Q HA 0.150 4.490 4.340 -0.000 0.000 0.204 306 Q C -0.276 175.807 176.000 0.137 0.000 0.932 306 Q CA 0.371 56.050 55.803 -0.207 0.000 0.916 306 Q CB 0.189 28.358 28.738 -0.948 0.000 1.024 306 Q HN 0.248 nan 8.270 nan 0.000 0.504 307 N N 0.653 119.449 118.700 0.159 0.000 2.520 307 N HA 0.170 4.910 4.740 -0.000 0.000 0.273 307 N C -0.641 174.944 175.510 0.126 0.000 1.155 307 N CA 0.300 53.466 53.050 0.194 0.000 0.967 307 N CB 1.026 39.626 38.487 0.188 0.000 1.092 307 N HN 0.106 nan 8.380 nan 0.000 0.457 308 I N 2.738 123.337 120.570 0.048 0.000 2.433 308 I HA 0.285 4.455 4.170 -0.000 0.000 0.292 308 I C -2.173 173.925 176.117 -0.032 0.000 1.001 308 I CA -2.204 59.072 61.300 -0.041 0.000 1.119 308 I CB 2.027 39.924 38.000 -0.172 0.000 1.289 308 I HN 0.181 nan 8.210 nan 0.000 0.438 309 P HA 0.012 nan 4.420 nan 0.000 0.265 309 P C 0.024 177.347 177.300 0.038 0.000 1.193 309 P CA 0.001 63.069 63.100 -0.052 0.000 0.765 309 P CB 0.507 32.068 31.700 -0.232 0.000 0.823 310 E N 1.867 122.092 120.200 0.042 0.000 2.147 310 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 310 E C 2.007 178.637 176.600 0.050 0.000 1.005 310 E CA 1.995 58.418 56.400 0.038 0.000 0.810 310 E CB -1.112 28.604 29.700 0.026 0.000 0.736 310 E HN 0.617 nan 8.360 nan 0.000 0.460 311 G N -0.554 108.315 108.800 0.114 0.000 2.985 311 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.209 311 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.209 311 G C -0.198 174.673 174.900 -0.047 0.000 1.165 311 G CA -0.087 45.036 45.100 0.039 0.000 0.776 311 G HN 0.195 nan 8.290 nan 0.000 0.541 312 H N -0.474 118.543 119.070 -0.088 0.000 2.651 312 H HA 0.695 5.250 4.556 -0.000 0.000 0.353 312 H C 0.239 175.480 175.328 -0.145 0.000 1.178 312 H CA -0.739 55.242 56.048 -0.112 0.000 1.224 312 H CB 1.578 31.290 29.762 -0.083 0.000 1.702 312 H HN 0.154 nan 8.280 nan 0.000 0.550 313 M N 0.072 119.644 119.600 -0.046 0.000 2.327 313 M HA 0.749 5.229 4.480 -0.000 0.000 0.298 313 M C -0.955 175.209 176.300 -0.226 0.000 1.065 313 M CA -1.333 53.864 55.300 -0.172 0.000 0.916 313 M CB 2.325 34.847 32.600 -0.129 0.000 1.630 313 M HN 0.536 nan 8.290 nan 0.000 0.442 314 A N 3.848 126.422 122.820 -0.409 0.000 2.454 314 A HA 0.562 4.882 4.320 -0.000 0.000 0.260 314 A C 0.322 177.774 177.584 -0.219 0.000 1.106 314 A CA -0.503 51.348 52.037 -0.309 0.000 0.780 314 A CB 0.041 18.786 19.000 -0.425 0.000 1.044 314 A HN 1.083 nan 8.150 nan 0.000 0.498 315 L N 0.937 122.016 121.223 -0.239 0.000 2.731 315 L HA 0.308 4.648 4.340 -0.000 0.000 0.240 315 L C 0.015 176.813 176.870 -0.119 0.000 1.120 315 L CA 0.201 54.816 54.840 -0.375 0.000 0.913 315 L CB 0.334 41.699 42.059 -1.158 0.000 1.213 315 L HN 0.773 nan 8.230 nan 0.000 0.515 316 D N -0.329 120.099 120.400 0.047 0.000 2.694 316 D HA 0.270 4.909 4.640 -0.000 0.000 0.260 316 D C -0.865 175.522 176.300 0.144 0.000 1.250 316 D CA -0.559 53.519 54.000 0.130 0.000 0.763 316 D CB 1.596 42.501 40.800 0.174 0.000 1.311 316 D HN 0.035 nan 8.370 nan 0.000 0.420 317 I N -0.411 120.204 120.570 0.074 0.000 2.638 317 I HA 0.690 4.860 4.170 -0.000 0.000 0.286 317 I C 0.967 177.056 176.117 -0.046 0.000 1.088 317 I CA -0.477 60.811 61.300 -0.021 0.000 1.397 317 I CB 0.886 38.778 38.000 -0.181 0.000 1.414 317 I HN 0.242 nan 8.210 nan 0.000 0.566 318 G N 3.861 112.602 108.800 -0.098 0.000 2.580 318 G HA2 0.385 4.345 3.960 -0.000 0.000 0.278 318 G HA3 0.385 4.345 3.960 -0.000 0.000 0.278 318 G C -1.495 173.338 174.900 -0.111 0.000 1.212 318 G CA -1.177 43.877 45.100 -0.077 0.000 0.939 318 G HN 0.620 nan 8.290 nan 0.000 0.513 319 P HA -0.137 nan 4.420 nan 0.000 0.216 319 P C 1.324 178.566 177.300 -0.097 0.000 1.153 319 P CA 1.445 64.502 63.100 -0.071 0.000 0.858 319 P CB 0.244 31.919 31.700 -0.042 0.000 0.789 320 K N -0.752 119.585 120.400 -0.105 0.000 2.148 320 K HA -0.043 4.276 4.320 -0.000 0.000 0.204 320 K C 2.221 178.730 176.600 -0.152 0.000 1.050 320 K CA 1.644 57.868 56.287 -0.106 0.000 0.942 320 K CB -0.585 31.858 32.500 -0.093 0.000 0.724 320 K HN 0.159 nan 8.250 nan 0.000 0.446 321 T N 1.648 116.062 114.554 -0.235 0.000 2.777 321 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 321 T C 1.881 176.299 174.700 -0.470 0.000 1.040 321 T CA 0.954 62.809 62.100 -0.408 0.000 1.141 321 T CB -0.148 68.401 68.868 -0.532 0.000 0.868 321 T HN 0.121 nan 8.240 nan 0.000 0.444 322 I N 1.034 121.412 120.570 -0.319 0.000 2.264 322 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 322 I C 2.651 178.697 176.117 -0.117 0.000 1.111 322 I CA 1.417 62.588 61.300 -0.216 0.000 1.382 322 I CB -0.363 37.559 38.000 -0.130 0.000 1.060 322 I HN 0.357 nan 8.210 nan 0.000 0.418 323 E N 0.585 120.726 120.200 -0.099 0.000 2.031 323 E HA -0.283 4.066 4.350 -0.000 0.000 0.193 323 E C 2.101 178.684 176.600 -0.029 0.000 0.994 323 E CA 1.246 57.613 56.400 -0.056 0.000 0.800 323 E CB -0.055 29.614 29.700 -0.051 0.000 0.752 323 E HN 0.193 nan 8.360 nan 0.000 0.447 324 K N 0.434 120.824 120.400 -0.017 0.000 2.026 324 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 324 K C 1.936 178.614 176.600 0.131 0.000 1.048 324 K CA 1.429 57.747 56.287 0.051 0.000 0.929 324 K CB -0.442 32.108 32.500 0.083 0.000 0.713 324 K HN 0.097 nan 8.250 nan 0.000 0.439 325 Y N 0.258 120.489 120.300 -0.114 0.000 2.128 325 Y HA -0.153 4.396 4.550 -0.000 0.000 0.284 325 Y C 2.374 178.177 175.900 -0.161 0.000 1.154 325 Y CA 0.905 58.919 58.100 -0.144 0.000 1.149 325 Y CB -0.927 37.442 38.460 -0.151 0.000 0.976 325 Y HN -0.131 nan 8.280 nan 0.000 0.505 326 V N 0.231 120.166 119.914 0.035 0.000 2.343 326 V HA -0.313 3.806 4.120 -0.000 0.000 0.247 326 V C 2.458 178.512 176.094 -0.066 0.000 1.051 326 V CA 2.151 64.427 62.300 -0.040 0.000 1.036 326 V CB -0.681 31.117 31.823 -0.042 0.000 0.654 326 V HN 0.429 nan 8.190 nan 0.000 0.451 327 Q N 0.059 119.827 119.800 -0.054 0.000 2.020 327 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 327 Q C 2.435 178.358 176.000 -0.129 0.000 0.982 327 Q CA 2.633 58.392 55.803 -0.074 0.000 0.838 327 Q CB -0.379 28.329 28.738 -0.049 0.000 0.899 327 Q HN 0.683 nan 8.270 nan 0.000 0.423 328 T N -0.201 114.252 114.554 -0.169 0.000 2.788 328 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 328 T C 1.913 176.391 174.700 -0.370 0.000 1.044 328 T CA 1.307 63.200 62.100 -0.345 0.000 1.139 328 T CB -0.351 68.228 68.868 -0.481 0.000 0.867 328 T HN 0.377 nan 8.240 nan 0.000 0.454 329 I N 1.216 121.634 120.570 -0.253 0.000 2.361 329 I HA -0.031 4.139 4.170 -0.000 0.000 0.251 329 I C 2.852 178.872 176.117 -0.162 0.000 1.133 329 I CA 1.256 62.435 61.300 -0.201 0.000 1.413 329 I CB -0.649 37.261 38.000 -0.151 0.000 1.073 329 I HN 0.468 nan 8.210 nan 0.000 0.424 330 G N 0.636 109.344 108.800 -0.153 0.000 2.484 330 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 330 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 330 G C 1.597 176.408 174.900 -0.149 0.000 1.130 330 G CA 0.198 45.213 45.100 -0.142 0.000 0.784 330 G HN 0.354 nan 8.290 nan 0.000 0.543 331 K N -0.524 119.774 120.400 -0.171 0.000 2.487 331 K HA 0.149 4.469 4.320 -0.000 0.000 0.192 331 K C 0.248 176.790 176.600 -0.097 0.000 1.027 331 K CA -0.250 55.956 56.287 -0.135 0.000 1.054 331 K CB 0.113 32.518 32.500 -0.158 0.000 0.824 331 K HN 0.267 nan 8.250 nan 0.000 0.510 332 C N 0.140 119.372 119.300 -0.113 0.000 2.407 332 C HA 0.319 4.779 4.460 -0.000 0.000 0.366 332 C C 1.321 176.301 174.990 -0.017 0.000 1.213 332 C CA -0.790 58.201 59.018 -0.044 0.000 2.011 332 C CB 1.462 29.168 27.740 -0.056 0.000 2.306 332 C HN 0.305 nan 8.230 nan 0.000 0.527 333 K N -0.186 120.225 120.400 0.017 0.000 2.412 333 K HA 0.220 4.540 4.320 -0.000 0.000 0.202 333 K C -0.124 176.501 176.600 0.042 0.000 1.102 333 K CA 0.412 56.715 56.287 0.027 0.000 1.027 333 K CB 0.539 33.056 32.500 0.029 0.000 0.931 333 K HN 0.580 nan 8.250 nan 0.000 0.557 334 S N 0.188 115.917 115.700 0.048 0.000 2.540 334 S HA 0.707 5.177 4.470 -0.000 0.000 0.275 334 S C -1.602 173.038 174.600 0.067 0.000 1.123 334 S CA -0.849 57.392 58.200 0.068 0.000 0.907 334 S CB 2.134 65.381 63.200 0.077 0.000 1.081 334 S HN 0.180 nan 8.310 nan 0.000 0.476 335 A N 2.921 125.793 122.820 0.086 0.000 2.408 335 A HA 0.797 5.116 4.320 -0.000 0.000 0.295 335 A C -1.182 176.488 177.584 0.143 0.000 1.040 335 A CA -0.515 51.573 52.037 0.086 0.000 0.707 335 A CB 0.673 19.703 19.000 0.050 0.000 1.235 335 A HN 0.768 nan 8.150 nan 0.000 0.418 336 I N 2.286 122.955 120.570 0.164 0.000 2.410 336 I HA 0.359 4.529 4.170 -0.000 0.000 0.286 336 I C -1.121 175.159 176.117 0.272 0.000 1.009 336 I CA -0.304 61.128 61.300 0.221 0.000 1.111 336 I CB 1.549 39.678 38.000 0.216 0.000 1.262 336 I HN 0.788 nan 8.210 nan 0.000 0.443 337 W N 8.603 129.937 121.300 0.057 0.000 2.587 337 W HA 0.462 5.122 4.660 -0.000 0.000 0.324 337 W C -1.173 175.365 176.519 0.032 0.000 1.040 337 W CA -1.078 56.284 57.345 0.028 0.000 1.222 337 W CB 1.243 30.706 29.460 0.006 0.000 1.381 337 W HN 0.416 nan 8.180 nan 0.000 0.483 338 N N 4.467 123.146 118.700 -0.035 0.000 2.500 338 N HA 0.495 5.235 4.740 -0.000 0.000 0.291 338 N C -0.796 174.598 175.510 -0.192 0.000 1.092 338 N CA 0.159 53.049 53.050 -0.267 0.000 0.890 338 N CB 1.425 39.871 38.487 -0.068 0.000 1.466 338 N HN 0.882 nan 8.380 nan 0.000 0.507 339 G N 3.002 111.569 108.800 -0.388 0.000 3.367 339 G HA2 -0.115 3.844 3.960 -0.000 0.000 0.686 339 G HA3 -0.115 3.844 3.960 -0.000 0.000 0.686 339 G C -3.279 171.669 174.900 0.079 0.000 1.146 339 G CA -1.073 43.965 45.100 -0.104 0.000 0.913 339 G HN 0.398 nan 8.290 nan 0.000 0.554 340 P HA 0.162 nan 4.420 nan 0.000 0.267 340 P C 1.384 178.842 177.300 0.264 0.000 1.200 340 P CA -0.279 62.916 63.100 0.159 0.000 0.772 340 P CB 0.461 32.181 31.700 0.033 0.000 0.855 341 M N 0.711 120.465 119.600 0.256 0.000 2.562 341 M HA 0.141 4.621 4.480 -0.000 0.000 0.257 341 M C 1.071 177.462 176.300 0.152 0.000 1.099 341 M CA 0.997 56.404 55.300 0.177 0.000 1.099 341 M CB -1.076 31.578 32.600 0.089 0.000 1.427 341 M HN 0.504 nan 8.290 nan 0.000 0.489 342 G N -1.006 107.899 108.800 0.174 0.000 2.619 342 G HA2 0.401 4.361 3.960 -0.000 0.000 0.305 342 G HA3 0.401 4.361 3.960 -0.000 0.000 0.305 342 G C -1.203 173.835 174.900 0.229 0.000 1.330 342 G CA -0.675 44.532 45.100 0.179 0.000 0.789 342 G HN -0.148 nan 8.290 nan 0.000 0.487 343 V N 2.555 122.571 119.914 0.171 0.000 2.055 343 V HA 0.107 4.226 4.120 -0.000 0.000 0.248 343 V C 1.568 177.747 176.094 0.141 0.000 1.476 343 V CA 0.225 62.611 62.300 0.143 0.000 1.417 343 V CB -1.559 30.229 31.823 -0.058 0.000 1.465 343 V HN 0.624 nan 8.190 nan 0.000 0.502 344 F N 1.412 121.363 119.950 0.002 0.000 2.346 344 F HA -0.153 4.374 4.527 -0.000 0.000 0.301 344 F C 1.594 177.368 175.800 -0.043 0.000 1.070 344 F CA 1.255 59.192 58.000 -0.105 0.000 1.407 344 F CB -0.516 38.315 39.000 -0.282 0.000 1.072 344 F HN 0.374 nan 8.300 nan 0.000 0.543 345 E N 0.681 120.415 120.200 -0.777 0.000 2.265 345 E HA -0.045 4.304 4.350 -0.000 0.000 0.196 345 E C 0.481 176.945 176.600 -0.228 0.000 0.996 345 E CA 0.934 56.977 56.400 -0.594 0.000 0.832 345 E CB -0.201 29.230 29.700 -0.449 0.000 0.756 345 E HN 0.487 nan 8.360 nan 0.000 0.491 346 M N 0.064 119.581 119.600 -0.139 0.000 2.205 346 M HA 0.133 4.613 4.480 -0.000 0.000 0.344 346 M C 0.875 177.075 176.300 -0.166 0.000 1.085 346 M CA -0.458 54.759 55.300 -0.139 0.000 1.001 346 M CB 2.060 34.578 32.600 -0.137 0.000 1.626 346 M HN -0.171 nan 8.290 nan 0.000 0.442 347 V N 4.618 124.448 119.914 -0.141 0.000 2.250 347 V HA -0.228 3.892 4.120 -0.000 0.000 0.253 347 V C -0.606 175.386 176.094 -0.170 0.000 1.065 347 V CA 2.224 64.471 62.300 -0.089 0.000 1.039 347 V CB -1.620 30.160 31.823 -0.072 0.000 0.647 347 V HN 0.787 nan 8.190 nan 0.000 0.446 348 P HA -0.151 nan 4.420 nan 0.000 0.222 348 P C 0.568 177.654 177.300 -0.357 0.000 1.147 348 P CA 1.626 64.443 63.100 -0.472 0.000 0.790 348 P CB -0.132 31.120 31.700 -0.747 0.000 0.780 349 Y N -0.358 119.926 120.300 -0.027 0.000 2.681 349 Y HA 0.218 4.768 4.550 -0.000 0.000 0.267 349 Y C 1.975 177.881 175.900 0.010 0.000 1.166 349 Y CA -0.543 57.545 58.100 -0.019 0.000 1.209 349 Y CB -0.707 37.712 38.460 -0.068 0.000 1.161 349 Y HN 0.054 nan 8.280 nan 0.000 0.534 350 S N -1.789 113.972 115.700 0.101 0.000 2.511 350 S HA 0.057 4.527 4.470 -0.000 0.000 0.214 350 S C 1.603 176.242 174.600 0.066 0.000 0.997 350 S CA -0.230 58.006 58.200 0.060 0.000 0.908 350 S CB 0.137 63.396 63.200 0.099 0.000 0.803 350 S HN 0.244 nan 8.310 nan 0.000 0.504 351 K N 1.591 122.062 120.400 0.120 0.000 2.044 351 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 351 K C 2.317 178.960 176.600 0.071 0.000 1.049 351 K CA 1.616 57.977 56.287 0.123 0.000 0.927 351 K CB -0.871 31.676 32.500 0.078 0.000 0.713 351 K HN 0.519 nan 8.250 nan 0.000 0.443 352 G N 0.531 109.349 108.800 0.029 0.000 2.446 352 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 352 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 352 G C 1.513 176.387 174.900 -0.045 0.000 1.168 352 G CA 1.476 46.564 45.100 -0.021 0.000 0.771 352 G HN 0.240 nan 8.290 nan 0.000 0.551 353 T N 1.095 115.622 114.554 -0.044 0.000 2.708 353 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 353 T C 2.048 176.709 174.700 -0.066 0.000 1.037 353 T CA 1.132 63.186 62.100 -0.076 0.000 1.146 353 T CB -0.302 68.448 68.868 -0.197 0.000 0.865 353 T HN 0.175 nan 8.240 nan 0.000 0.435 354 F N 1.495 121.477 119.950 0.053 0.000 2.325 354 F HA 0.215 4.741 4.527 -0.001 0.000 0.299 354 F C 2.516 178.292 175.800 -0.040 0.000 1.090 354 F CA -0.137 57.880 58.000 0.028 0.000 1.392 354 F CB -1.140 37.891 39.000 0.052 0.000 1.053 354 F HN 0.135 nan 8.300 nan 0.000 0.521 355 A N 0.394 123.275 122.820 0.102 0.000 1.873 355 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 355 A C 2.246 179.777 177.584 -0.089 0.000 1.186 355 A CA 1.395 53.435 52.037 0.005 0.000 0.616 355 A CB -0.774 18.212 19.000 -0.023 0.000 0.823 355 A HN 0.183 nan 8.150 nan 0.000 0.442 356 I N 0.111 120.547 120.570 -0.223 0.000 2.226 356 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 356 I C 2.943 178.821 176.117 -0.399 0.000 1.100 356 I CA 1.393 62.432 61.300 -0.435 0.000 1.374 356 I CB -1.702 35.770 38.000 -0.880 0.000 1.057 356 I HN 0.362 nan 8.210 nan 0.000 0.413 357 A N 1.007 123.656 122.820 -0.286 0.000 1.883 357 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 357 A C 2.468 180.068 177.584 0.027 0.000 1.186 357 A CA 2.229 54.275 52.037 0.014 0.000 0.624 357 A CB -0.666 18.501 19.000 0.279 0.000 0.822 357 A HN 0.408 nan 8.150 nan 0.000 0.444 358 K N -0.322 120.093 120.400 0.024 0.000 2.063 358 K HA -0.106 4.213 4.320 -0.000 0.000 0.208 358 K C 2.090 178.690 176.600 -0.001 0.000 1.048 358 K CA 1.492 57.787 56.287 0.013 0.000 0.928 358 K CB -0.379 32.128 32.500 0.012 0.000 0.713 358 K HN 0.353 nan 8.250 nan 0.000 0.442 359 A N 0.843 123.644 122.820 -0.033 0.000 1.933 359 A HA -0.144 4.175 4.320 -0.000 0.000 0.218 359 A C 2.139 179.713 177.584 -0.017 0.000 1.175 359 A CA 1.734 53.750 52.037 -0.035 0.000 0.628 359 A CB -0.450 18.506 19.000 -0.073 0.000 0.814 359 A HN 0.380 nan 8.150 nan 0.000 0.444 360 M N -0.855 118.728 119.600 -0.027 0.000 2.156 360 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 360 M C 2.333 178.667 176.300 0.056 0.000 1.067 360 M CA 1.401 56.710 55.300 0.015 0.000 1.131 360 M CB -0.503 32.117 32.600 0.034 0.000 1.368 360 M HN 0.504 nan 8.290 nan 0.000 0.416 361 G N -0.140 108.695 108.800 0.057 0.000 2.402 361 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 361 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 361 G C 1.631 176.591 174.900 0.100 0.000 1.162 361 G CA 0.414 45.554 45.100 0.067 0.000 0.777 361 G HN 0.327 nan 8.290 nan 0.000 0.539 362 R N 0.557 121.110 120.500 0.088 0.000 2.081 362 R HA -0.067 4.272 4.340 -0.000 0.000 0.235 362 R C 2.729 179.136 176.300 0.177 0.000 1.131 362 R CA 1.714 57.894 56.100 0.134 0.000 0.960 362 R CB -0.861 29.494 30.300 0.092 0.000 0.856 362 R HN 0.317 nan 8.270 nan 0.000 0.436 363 G N -0.427 108.457 108.800 0.140 0.000 2.446 363 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 363 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 363 G C 1.344 176.343 174.900 0.165 0.000 1.168 363 G CA 1.353 46.553 45.100 0.167 0.000 0.771 363 G HN 0.364 nan 8.290 nan 0.000 0.551 364 T N -0.249 114.379 114.554 0.122 0.000 2.770 364 T HA -0.089 4.261 4.350 -0.000 0.000 0.263 364 T C 2.072 176.821 174.700 0.082 0.000 1.039 364 T CA 1.498 63.657 62.100 0.099 0.000 1.142 364 T CB -0.366 68.559 68.868 0.095 0.000 0.868 364 T HN 0.509 nan 8.240 nan 0.000 0.435 365 H N 1.385 120.466 119.070 0.019 0.000 2.387 365 H HA -0.027 4.529 4.556 -0.000 0.000 0.299 365 H C 1.927 177.215 175.328 -0.067 0.000 1.099 365 H CA 1.724 57.763 56.048 -0.014 0.000 1.315 365 H CB 0.062 29.818 29.762 -0.010 0.000 1.380 365 H HN 0.460 nan 8.280 nan 0.000 0.513 366 E N -1.923 118.140 120.200 -0.229 0.000 2.389 366 E HA 0.044 4.393 4.350 -0.000 0.000 0.199 366 E C 0.475 176.593 176.600 -0.805 0.000 0.978 366 E CA 0.373 56.453 56.400 -0.535 0.000 0.912 366 E CB 0.581 30.021 29.700 -0.434 0.000 0.907 366 E HN 0.691 nan 8.360 nan 0.000 0.494 367 H N -1.460 117.577 119.070 -0.055 0.000 3.052 367 H HA 0.302 4.858 4.556 -0.000 0.000 0.257 367 H C 0.771 176.086 175.328 -0.022 0.000 1.193 367 H CA 0.197 56.223 56.048 -0.036 0.000 1.072 367 H CB 1.469 31.218 29.762 -0.022 0.000 1.685 367 H HN 0.202 nan 8.280 nan 0.000 0.630 368 G N 1.302 110.129 108.800 0.045 0.000 2.155 368 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.257 368 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.257 368 G C 0.316 175.255 174.900 0.066 0.000 0.983 368 G CA 0.244 45.370 45.100 0.043 0.000 0.676 368 G HN 0.445 nan 8.290 nan 0.000 0.528 369 L N 1.089 122.365 121.223 0.088 0.000 2.601 369 L HA 0.223 4.563 4.340 -0.000 0.000 0.277 369 L C 0.848 177.764 176.870 0.076 0.000 1.219 369 L CA 0.426 55.310 54.840 0.074 0.000 0.915 369 L CB 0.401 42.504 42.059 0.073 0.000 1.160 369 L HN 0.343 nan 8.230 nan 0.000 0.494 370 M N 6.399 126.045 119.600 0.077 0.000 2.135 370 M HA 0.135 4.614 4.480 -0.000 0.000 0.345 370 M C -0.238 176.130 176.300 0.112 0.000 1.340 370 M CA -0.144 55.216 55.300 0.101 0.000 1.162 370 M CB 0.411 33.071 32.600 0.099 0.000 1.570 370 M HN 0.756 nan 8.290 nan 0.000 0.454 371 S N 6.366 122.132 115.700 0.111 0.000 2.451 371 S HA 0.767 5.237 4.470 -0.000 0.000 0.301 371 S C -0.522 174.143 174.600 0.107 0.000 1.116 371 S CA -0.845 57.422 58.200 0.112 0.000 1.093 371 S CB 1.587 64.846 63.200 0.098 0.000 1.017 371 S HN 0.716 nan 8.310 nan 0.000 0.482 372 I N 3.119 123.773 120.570 0.140 0.000 2.478 372 I HA 0.448 4.618 4.170 -0.000 0.000 0.287 372 I C -0.831 175.380 176.117 0.155 0.000 1.042 372 I CA -0.661 60.714 61.300 0.125 0.000 1.067 372 I CB 1.664 39.781 38.000 0.196 0.000 1.233 372 I HN 0.572 nan 8.210 nan 0.000 0.431 373 I N 4.556 125.164 120.570 0.064 0.000 2.530 373 I HA 0.699 4.869 4.170 -0.000 0.000 0.297 373 I C 0.264 176.344 176.117 -0.061 0.000 1.011 373 I CA -0.428 60.870 61.300 -0.004 0.000 1.107 373 I CB 2.223 40.187 38.000 -0.059 0.000 1.285 373 I HN 0.656 nan 8.210 nan 0.000 0.436 374 G N 2.636 111.363 108.800 -0.122 0.000 2.619 374 G HA2 0.738 4.698 3.960 -0.000 0.000 0.296 374 G HA3 0.738 4.698 3.960 -0.000 0.000 0.296 374 G C -0.701 174.108 174.900 -0.152 0.000 1.334 374 G CA -0.600 44.469 45.100 -0.052 0.000 0.934 374 G HN 1.023 nan 8.290 nan 0.000 0.476 375 G N -1.391 107.370 108.800 -0.065 0.000 2.674 375 G HA2 0.404 4.364 3.960 -0.000 0.000 0.686 375 G HA3 0.404 4.364 3.960 -0.000 0.000 0.686 375 G C 0.947 175.813 174.900 -0.057 0.000 1.195 375 G CA 0.170 45.226 45.100 -0.073 0.000 0.776 375 G HN 1.731 nan 8.290 nan 0.000 0.654 376 G N -0.100 108.700 108.800 0.000 0.000 2.459 376 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 376 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 376 G C 1.262 176.166 174.900 0.007 0.000 1.183 376 G CA 1.874 46.994 45.100 0.033 0.000 0.776 376 G HN 0.777 nan 8.290 nan 0.000 0.552 377 D N 0.429 120.832 120.400 0.004 0.000 2.144 377 D HA -0.043 4.597 4.640 -0.000 0.000 0.200 377 D C 2.809 178.961 176.300 -0.247 0.000 0.978 377 D CA 1.041 55.064 54.000 0.039 0.000 0.833 377 D CB -0.074 40.822 40.800 0.160 0.000 0.961 377 D HN 0.242 nan 8.370 nan 0.000 0.470 378 S N 0.876 116.355 115.700 -0.369 0.000 2.356 378 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 378 S C 2.208 176.524 174.600 -0.473 0.000 1.032 378 S CA 1.109 58.920 58.200 -0.649 0.000 1.005 378 S CB -0.163 62.529 63.200 -0.847 0.000 0.867 378 S HN 0.342 nan 8.310 nan 0.000 0.449 379 A N 1.434 124.068 122.820 -0.311 0.000 1.908 379 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 379 A C 2.307 179.775 177.584 -0.193 0.000 1.181 379 A CA 2.004 53.872 52.037 -0.281 0.000 0.627 379 A CB -0.911 17.926 19.000 -0.271 0.000 0.818 379 A HN 0.472 nan 8.150 nan 0.000 0.445 380 S N 0.096 115.743 115.700 -0.088 0.000 2.382 380 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 380 S C 2.277 176.934 174.600 0.096 0.000 1.027 380 S CA 1.179 59.407 58.200 0.048 0.000 0.991 380 S CB -0.502 62.813 63.200 0.193 0.000 0.823 380 S HN 0.813 nan 8.310 nan 0.000 0.469 381 A N 1.927 124.688 122.820 -0.097 0.000 1.877 381 A HA 0.126 4.446 4.320 -0.000 0.000 0.216 381 A C 2.427 180.133 177.584 0.203 0.000 1.186 381 A CA 1.704 53.700 52.037 -0.067 0.000 0.620 381 A CB -1.299 17.300 19.000 -0.669 0.000 0.822 381 A HN 0.520 nan 8.150 nan 0.000 0.443 382 A N -0.213 122.628 122.820 0.036 0.000 1.917 382 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 382 A C 1.945 179.552 177.584 0.038 0.000 1.182 382 A CA 1.847 53.924 52.037 0.067 0.000 0.633 382 A CB -0.575 18.394 19.000 -0.051 0.000 0.819 382 A HN 0.656 nan 8.150 nan 0.000 0.448 383 E N -1.048 119.148 120.200 -0.007 0.000 2.158 383 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 383 E C 1.727 178.349 176.600 0.037 0.000 0.982 383 E CA 0.488 56.879 56.400 -0.015 0.000 0.823 383 E CB -0.132 29.539 29.700 -0.047 0.000 0.766 383 E HN 0.405 nan 8.360 nan 0.000 0.468 384 L N 1.032 122.329 121.223 0.123 0.000 2.093 384 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 384 L C 2.461 179.305 176.870 -0.043 0.000 1.085 384 L CA 1.790 56.702 54.840 0.120 0.000 0.755 384 L CB -0.758 41.501 42.059 0.334 0.000 0.904 384 L HN 0.075 nan 8.230 nan 0.000 0.435 385 S N -1.710 113.962 115.700 -0.045 0.000 2.436 385 S HA 0.160 4.630 4.470 -0.000 0.000 0.228 385 S C 1.671 176.205 174.600 -0.110 0.000 1.014 385 S CA 0.604 58.672 58.200 -0.220 0.000 0.950 385 S CB -0.030 63.106 63.200 -0.107 0.000 0.784 385 S HN 0.528 nan 8.310 nan 0.000 0.504 386 G N 1.026 109.797 108.800 -0.048 0.000 2.176 386 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.232 386 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.232 386 G C 0.620 175.496 174.900 -0.041 0.000 0.986 386 G CA 0.292 45.362 45.100 -0.050 0.000 0.643 386 G HN 0.450 nan 8.290 nan 0.000 0.522 387 E N 0.224 120.415 120.200 -0.014 0.000 2.482 387 E HA 0.243 4.592 4.350 -0.000 0.000 0.196 387 E C 2.587 179.188 176.600 0.001 0.000 1.047 387 E CA 0.894 57.296 56.400 0.004 0.000 0.869 387 E CB -0.124 29.606 29.700 0.050 0.000 0.836 387 E HN 0.756 nan 8.360 nan 0.000 0.520 388 A N 2.594 125.398 122.820 -0.026 0.000 1.902 388 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 388 A C 2.145 179.691 177.584 -0.063 0.000 1.181 388 A CA 1.923 53.916 52.037 -0.073 0.000 0.623 388 A CB -0.431 18.480 19.000 -0.149 0.000 0.818 388 A HN 0.282 nan 8.150 nan 0.000 0.443 389 K N -0.608 119.764 120.400 -0.047 0.000 2.209 389 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 389 K C 1.563 178.156 176.600 -0.012 0.000 1.048 389 K CA 1.225 57.495 56.287 -0.028 0.000 0.940 389 K CB -0.243 32.241 32.500 -0.026 0.000 0.729 389 K HN 0.394 nan 8.250 nan 0.000 0.451 390 R N 0.181 120.675 120.500 -0.010 0.000 2.299 390 R HA 0.176 4.516 4.340 -0.000 0.000 0.197 390 R C 0.542 176.867 176.300 0.040 0.000 0.971 390 R CA 0.106 56.216 56.100 0.017 0.000 1.030 390 R CB -0.075 30.224 30.300 -0.000 0.000 0.932 390 R HN 0.236 nan 8.270 nan 0.000 0.477 391 M N 0.115 119.727 119.600 0.021 0.000 2.202 391 M HA 0.096 4.576 4.480 -0.000 0.000 0.316 391 M C 1.424 177.736 176.300 0.020 0.000 1.138 391 M CA 0.308 55.625 55.300 0.028 0.000 1.151 391 M CB 0.987 33.590 32.600 0.004 0.000 1.422 391 M HN -0.154 nan 8.290 nan 0.000 0.471 392 S N -0.481 115.237 115.700 0.031 0.000 2.436 392 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 392 S C 0.148 174.701 174.600 -0.079 0.000 1.014 392 S CA 0.979 59.198 58.200 0.031 0.000 0.950 392 S CB -0.165 63.102 63.200 0.111 0.000 0.784 392 S HN 0.757 nan 8.310 nan 0.000 0.504 393 H N -0.589 118.310 119.070 -0.285 0.000 3.159 393 H HA 0.385 4.941 4.556 -0.000 0.000 0.313 393 H C -1.422 173.756 175.328 -0.249 0.000 1.071 393 H CA -0.818 54.964 56.048 -0.445 0.000 1.451 393 H CB 1.005 30.094 29.762 -1.122 0.000 2.075 393 H HN -0.036 nan 8.280 nan 0.000 0.443 394 V N 4.321 123.900 119.914 -0.559 0.000 2.334 394 V HA 0.642 4.762 4.120 -0.000 0.000 0.281 394 V C -0.450 175.342 176.094 -0.503 0.000 1.016 394 V CA 0.027 62.081 62.300 -0.409 0.000 0.832 394 V CB 0.978 32.607 31.823 -0.322 0.000 0.999 394 V HN 0.766 nan 8.190 nan 0.000 0.439 395 S N 3.899 119.363 115.700 -0.394 0.000 2.617 395 S HA 0.403 4.873 4.470 -0.000 0.000 0.269 395 S C 1.313 176.022 174.600 0.181 0.000 1.292 395 S CA 0.204 58.363 58.200 -0.068 0.000 1.010 395 S CB 1.364 64.806 63.200 0.403 0.000 0.944 395 S HN 1.171 nan 8.310 nan 0.000 0.536 396 T N 0.560 115.276 114.554 0.269 0.000 3.107 396 T HA 0.330 4.680 4.350 -0.000 0.000 0.249 396 T C 0.707 175.559 174.700 0.253 0.000 1.096 396 T CA -0.057 62.194 62.100 0.251 0.000 1.012 396 T CB -0.185 68.786 68.868 0.172 0.000 0.977 396 T HN 0.580 nan 8.240 nan 0.000 0.527 397 G N -0.372 108.619 108.800 0.320 0.000 2.389 397 G HA2 0.594 4.554 3.960 -0.000 0.000 0.317 397 G HA3 0.594 4.554 3.960 -0.000 0.000 0.317 397 G C 0.424 175.360 174.900 0.060 0.000 1.137 397 G CA -0.370 44.819 45.100 0.148 0.000 0.870 397 G HN 0.309 nan 8.290 nan 0.000 0.496 398 G N 0.688 109.480 108.800 -0.012 0.000 3.226 398 G HA2 0.372 4.332 3.960 -0.000 0.000 0.190 398 G HA3 0.372 4.332 3.960 -0.000 0.000 0.190 398 G C 1.592 176.450 174.900 -0.070 0.000 1.988 398 G CA 0.617 45.701 45.100 -0.027 0.000 0.859 398 G HN 0.993 nan 8.290 nan 0.000 0.631 399 G N 0.727 109.490 108.800 -0.062 0.000 2.527 399 G HA2 0.114 4.074 3.960 -0.000 0.000 0.219 399 G HA3 0.114 4.074 3.960 -0.000 0.000 0.219 399 G C 1.795 176.566 174.900 -0.215 0.000 1.117 399 G CA 1.674 46.730 45.100 -0.074 0.000 0.759 399 G HN 0.754 nan 8.290 nan 0.000 0.556 400 A N 1.475 124.048 122.820 -0.411 0.000 1.842 400 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 400 A C 2.681 179.968 177.584 -0.494 0.000 1.206 400 A CA 2.431 53.998 52.037 -0.784 0.000 0.630 400 A CB -1.069 17.432 19.000 -0.832 0.000 0.839 400 A HN 0.369 nan 8.150 nan 0.000 0.447 401 S N 0.101 115.579 115.700 -0.370 0.000 2.441 401 S HA -0.163 4.307 4.470 -0.000 0.000 0.242 401 S C 1.699 176.209 174.600 -0.149 0.000 1.018 401 S CA 1.502 59.512 58.200 -0.316 0.000 0.988 401 S CB -0.559 62.586 63.200 -0.092 0.000 0.778 401 S HN 0.455 nan 8.310 nan 0.000 0.498 402 L N 0.906 122.061 121.223 -0.113 0.000 2.007 402 L HA -0.059 4.280 4.340 -0.000 0.000 0.205 402 L C 2.765 179.605 176.870 -0.051 0.000 1.073 402 L CA 1.545 56.362 54.840 -0.038 0.000 0.744 402 L CB -0.753 41.301 42.059 -0.008 0.000 0.898 402 L HN 0.346 nan 8.230 nan 0.000 0.435 403 E N 0.422 120.566 120.200 -0.092 0.000 2.209 403 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 403 E C 2.256 178.820 176.600 -0.061 0.000 0.993 403 E CA 0.916 57.286 56.400 -0.051 0.000 0.819 403 E CB 0.063 29.750 29.700 -0.022 0.000 0.745 403 E HN 0.197 nan 8.360 nan 0.000 0.477 404 L N 0.462 121.607 121.223 -0.130 0.000 1.990 404 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 404 L C 2.257 179.114 176.870 -0.021 0.000 1.072 404 L CA 1.527 56.305 54.840 -0.103 0.000 0.755 404 L CB -0.572 41.365 42.059 -0.203 0.000 0.889 404 L HN 0.244 nan 8.230 nan 0.000 0.432 405 L N -0.503 120.720 121.223 0.001 0.000 2.270 405 L HA -0.268 4.072 4.340 -0.000 0.000 0.217 405 L C 2.417 179.310 176.870 0.038 0.000 1.107 405 L CA 1.486 56.352 54.840 0.042 0.000 0.772 405 L CB -0.655 41.439 42.059 0.059 0.000 0.902 405 L HN 0.419 nan 8.230 nan 0.000 0.439 406 E N 0.072 120.288 120.200 0.027 0.000 2.401 406 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 406 E C 1.627 178.245 176.600 0.031 0.000 1.023 406 E CA 0.653 57.072 56.400 0.031 0.000 0.859 406 E CB -0.092 29.627 29.700 0.030 0.000 0.780 406 E HN 0.505 nan 8.360 nan 0.000 0.523 407 G N 1.248 110.067 108.800 0.031 0.000 2.184 407 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 407 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 407 G C -0.012 174.907 174.900 0.032 0.000 0.975 407 G CA 0.688 45.808 45.100 0.035 0.000 0.642 407 G HN 0.353 nan 8.290 nan 0.000 0.536 408 K N 1.164 121.580 120.400 0.027 0.000 2.138 408 K HA 0.608 4.928 4.320 -0.000 0.000 0.251 408 K C 0.587 177.205 176.600 0.030 0.000 1.015 408 K CA -0.035 56.268 56.287 0.026 0.000 0.917 408 K CB -0.123 32.392 32.500 0.024 0.000 1.021 408 K HN 0.565 nan 8.250 nan 0.000 0.485 409 T N -1.022 113.550 114.554 0.031 0.000 2.856 409 T HA 0.418 4.768 4.350 -0.000 0.000 0.292 409 T C 0.197 174.919 174.700 0.036 0.000 0.980 409 T CA -1.027 61.096 62.100 0.038 0.000 1.091 409 T CB 0.204 69.094 68.868 0.037 0.000 0.936 409 T HN 0.396 nan 8.240 nan 0.000 0.503 410 L N 5.510 126.759 121.223 0.044 0.000 2.418 410 L HA 0.230 4.570 4.340 -0.000 0.000 0.274 410 L C -0.835 176.059 176.870 0.039 0.000 1.135 410 L CA -1.850 53.014 54.840 0.041 0.000 0.870 410 L CB 0.488 42.574 42.059 0.046 0.000 1.154 410 L HN 0.541 nan 8.230 nan 0.000 0.462 411 P HA -0.167 nan 4.420 nan 0.000 0.216 411 P C 1.383 178.696 177.300 0.023 0.000 1.150 411 P CA 1.552 64.660 63.100 0.013 0.000 0.837 411 P CB 0.233 31.928 31.700 -0.007 0.000 0.786 412 G N 0.033 108.853 108.800 0.034 0.000 2.432 412 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 412 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 412 G C 1.693 176.646 174.900 0.089 0.000 1.135 412 G CA 0.604 45.740 45.100 0.061 0.000 0.767 412 G HN 0.193 nan 8.290 nan 0.000 0.550 413 V N 0.867 120.834 119.914 0.088 0.000 2.302 413 V HA -0.130 3.990 4.120 -0.000 0.000 0.243 413 V C 3.111 179.252 176.094 0.079 0.000 1.036 413 V CA 2.236 64.598 62.300 0.104 0.000 1.020 413 V CB -1.002 30.891 31.823 0.118 0.000 0.657 413 V HN 0.361 nan 8.190 nan 0.000 0.453 414 T N 0.044 114.634 114.554 0.059 0.000 2.665 414 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 414 T C 1.932 176.652 174.700 0.034 0.000 1.035 414 T CA 1.847 63.973 62.100 0.042 0.000 1.151 414 T CB -0.516 68.370 68.868 0.030 0.000 0.862 414 T HN 0.266 nan 8.240 nan 0.000 0.438 415 V N 1.212 121.143 119.914 0.028 0.000 2.828 415 V HA 0.011 4.131 4.120 -0.000 0.000 0.260 415 V C 0.880 176.989 176.094 0.025 0.000 1.101 415 V CA 0.954 63.260 62.300 0.009 0.000 1.123 415 V CB -0.747 31.065 31.823 -0.018 0.000 0.704 415 V HN 0.371 nan 8.190 nan 0.000 0.493 416 L N 0.887 122.146 121.223 0.059 0.000 2.439 416 L HA 0.222 4.562 4.340 -0.000 0.000 0.269 416 L C 0.139 177.042 176.870 0.055 0.000 1.179 416 L CA -0.450 54.438 54.840 0.079 0.000 0.828 416 L CB -0.097 42.024 42.059 0.102 0.000 1.106 416 L HN 0.131 nan 8.230 nan 0.000 0.467 417 D N 2.056 122.489 120.400 0.055 0.000 2.349 417 D HA 0.007 4.646 4.640 -0.000 0.000 0.266 417 D C -0.092 176.233 176.300 0.041 0.000 1.293 417 D CA -0.019 54.005 54.000 0.040 0.000 0.926 417 D CB 0.252 41.076 40.800 0.039 0.000 1.090 417 D HN 0.386 nan 8.370 nan 0.000 0.502 418 D N 1.843 122.265 120.400 0.036 0.000 2.455 418 D HA 0.094 4.733 4.640 -0.000 0.000 0.234 418 D C 0.026 176.345 176.300 0.031 0.000 1.224 418 D CA -0.315 53.707 54.000 0.036 0.000 0.999 418 D CB 0.334 41.154 40.800 0.034 0.000 1.072 418 D HN -0.024 nan 8.370 nan 0.000 0.514 419 K N 0.000 120.420 120.400 0.033 0.000 2.780 419 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 419 K CA 0.000 56.304 56.287 0.029 0.000 0.838 419 K CB 0.000 32.516 32.500 0.027 0.000 1.064 419 K HN 0.000 nan 8.250 nan 0.000 0.543