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 1t5l_1_B DATA FIRST_RESID 1 DATA SEQUENCE VEGRFQLVAP YEPQGDQPQA IAKLVDGLRR GVKHQTLLGA TGTGKTFTIS DATA SEQUENCE NVIAQVNKPT LVIAHNKTLA GQLYSELKEF FPHNAVEYFV SYYDYAQPEA DATA SEQUENCE YVPQTDTYIE KDAKINDEID KLRHSATSAL FERRDVIIVA SVSCIYGLGS DATA SEQUENCE PEEYRELVVS LRVGMEIERN ALLRRLVDIQ YDRNDIDFRR GTFRVRGDVV DATA SEQUENCE EIFPASRDEH CIRVEFFGDE IERIREVDAL TGEVLGEREH VAIFPASHFV DATA SEQUENCE TREEKMRLAI QNIEQELEER LAELRAQGKL LEAQRLEQRT RYDLEMMREM DATA SEQUENCE GFCSGIENYS RHLALRPPGS TPYTLLDYFP DDFLIIVDES HVTLPQLRGM DATA SEQUENCE YNGDRARKQV LVDHGFRLPS ALDNRPLTFE EFEQKINQII YVSATPGPYE DATA SEQUENCE LEHSPGVVEQ IIRPTGLLDP TIDVRPTKGQ IDDLIGEIRE RVERNERTLV DATA SEQUENCE TTLTKKMAED LTDYLKEAGI KVAYLHSEIK TLERIEIIRD LRLGKYDVLV DATA SEQUENCE GINLLREGLD IPEVSLVAIL DADKEGFLRS ERSLIQTIGR AARNANGHVI DATA SEQUENCE MYADTITKSM EIAIQETKRR RAIQEEYNRK HGIVPRTVKK EIRDV 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.083 176.094 -0.019 0.000 1.182 1 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 1 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 2 E N 2.668 122.854 120.200 -0.023 0.000 2.354 2 E HA 0.515 4.865 4.350 0.001 0.000 0.269 2 E C 0.803 177.370 176.600 -0.056 0.000 1.036 2 E CA -0.127 56.249 56.400 -0.039 0.000 0.876 2 E CB 1.225 30.901 29.700 -0.041 0.000 1.009 2 E HN 0.856 nan 8.360 nan 0.000 0.416 3 G N 2.569 111.323 108.800 -0.077 0.000 2.491 3 G HA2 0.083 4.044 3.960 0.001 0.000 0.238 3 G HA3 0.083 4.044 3.960 0.001 0.000 0.238 3 G C -0.207 174.597 174.900 -0.160 0.000 1.277 3 G CA -0.464 44.578 45.100 -0.097 0.000 0.851 3 G HN 0.336 nan 8.290 nan 0.000 0.573 4 R N 0.662 121.087 120.500 -0.126 0.000 2.670 4 R HA 0.239 4.579 4.340 0.001 0.000 0.289 4 R C -0.729 175.534 176.300 -0.061 0.000 0.965 4 R CA -0.707 55.319 56.100 -0.124 0.000 0.899 4 R CB 1.863 32.157 30.300 -0.009 0.000 1.173 4 R HN 0.501 nan 8.270 nan 0.000 0.456 5 F N 1.786 121.781 119.950 0.076 0.000 2.607 5 F HA -0.027 4.501 4.527 0.001 0.000 0.374 5 F C 0.925 176.862 175.800 0.229 0.000 1.104 5 F CA 0.614 58.703 58.000 0.149 0.000 1.296 5 F CB 0.572 39.622 39.000 0.083 0.000 1.085 5 F HN 0.202 nan 8.300 nan 0.000 0.584 6 Q N 3.934 124.071 119.800 0.561 0.000 2.616 6 Q HA 0.272 4.613 4.340 0.001 0.000 0.250 6 Q C -1.146 175.039 176.000 0.308 0.000 0.991 6 Q CA -0.914 55.111 55.803 0.370 0.000 0.707 6 Q CB 1.738 30.662 28.738 0.308 0.000 1.247 6 Q HN 0.454 nan 8.270 nan 0.000 0.491 7 L N 2.623 123.934 121.223 0.148 0.000 2.453 7 L HA 0.228 4.568 4.340 0.001 0.000 0.272 7 L C -0.983 175.806 176.870 -0.135 0.000 1.182 7 L CA 0.385 55.078 54.840 -0.244 0.000 0.858 7 L CB 0.891 42.811 42.059 -0.232 0.000 1.120 7 L HN 0.334 nan 8.230 nan 0.000 0.474 8 V N 5.335 125.137 119.914 -0.186 0.000 2.483 8 V HA 0.876 4.996 4.120 0.001 0.000 0.297 8 V C -0.245 175.806 176.094 -0.072 0.000 1.027 8 V CA -0.110 62.140 62.300 -0.083 0.000 0.855 8 V CB 1.093 32.878 31.823 -0.063 0.000 0.995 8 V HN 1.061 nan 8.190 nan 0.000 0.424 9 A N 5.963 128.692 122.820 -0.153 0.000 2.517 9 A HA 0.833 5.154 4.320 0.001 0.000 0.297 9 A C -2.254 175.077 177.584 -0.420 0.000 1.050 9 A CA -1.007 50.789 52.037 -0.401 0.000 0.694 9 A CB 1.825 20.409 19.000 -0.694 0.000 1.277 9 A HN 0.595 nan 8.150 nan 0.000 0.400 10 P HA 0.102 nan 4.420 nan 0.000 0.247 10 P C -0.470 176.782 177.300 -0.081 0.000 1.225 10 P CA 1.000 64.007 63.100 -0.156 0.000 0.768 10 P CB -0.574 31.127 31.700 0.002 0.000 1.020 11 Y N -3.088 117.146 120.300 -0.109 0.000 2.669 11 Y HA 0.741 5.291 4.550 0.001 0.000 0.335 11 Y C 0.097 175.973 175.900 -0.041 0.000 1.116 11 Y CA -1.645 56.389 58.100 -0.109 0.000 1.081 11 Y CB 0.741 39.091 38.460 -0.182 0.000 1.297 11 Y HN -0.356 nan 8.280 nan 0.000 0.484 12 E N 0.836 121.169 120.200 0.221 0.000 2.232 12 E HA 0.432 4.783 4.350 0.001 0.000 0.264 12 E C -2.718 174.113 176.600 0.385 0.000 0.973 12 E CA -2.265 54.280 56.400 0.242 0.000 0.849 12 E CB 1.709 31.497 29.700 0.147 0.000 1.198 12 E HN 0.428 nan 8.360 nan 0.000 0.407 13 P HA 0.008 nan 4.420 nan 0.000 0.268 13 P C -0.682 176.732 177.300 0.189 0.000 1.204 13 P CA 0.416 63.720 63.100 0.339 0.000 0.768 13 P CB 0.463 32.231 31.700 0.114 0.000 0.842 14 Q N 1.513 121.404 119.800 0.151 0.000 2.857 14 Q HA 0.632 4.973 4.340 0.001 0.000 0.319 14 Q C 0.297 176.306 176.000 0.015 0.000 0.963 14 Q CA -0.745 55.105 55.803 0.077 0.000 0.770 14 Q CB 0.833 29.605 28.738 0.058 0.000 1.492 14 Q HN 0.523 nan 8.270 nan 0.000 0.493 15 G N 1.770 110.545 108.800 -0.041 0.000 2.561 15 G HA2 -0.362 3.599 3.960 0.001 0.000 0.289 15 G HA3 -0.362 3.599 3.960 0.001 0.000 0.289 15 G C -0.018 174.795 174.900 -0.146 0.000 1.169 15 G CA 0.667 45.618 45.100 -0.248 0.000 0.980 15 G HN 1.019 nan 8.290 nan 0.000 0.550 16 D N 0.434 120.745 120.400 -0.148 0.000 2.368 16 D HA 0.199 4.839 4.640 0.001 0.000 0.218 16 D C 1.824 178.112 176.300 -0.019 0.000 1.112 16 D CA 0.774 54.744 54.000 -0.049 0.000 0.834 16 D CB -0.031 40.742 40.800 -0.045 0.000 0.953 16 D HN 0.681 nan 8.370 nan 0.000 0.505 17 Q N 0.338 120.130 119.800 -0.013 0.000 2.077 17 Q HA -0.116 4.225 4.340 0.001 0.000 0.206 17 Q C -0.577 175.418 176.000 -0.009 0.000 0.989 17 Q CA 1.976 57.779 55.803 0.001 0.000 0.853 17 Q CB -0.911 27.854 28.738 0.045 0.000 0.907 17 Q HN 0.339 nan 8.270 nan 0.000 0.418 18 P HA -0.231 nan 4.420 nan 0.000 0.215 18 P C 1.146 178.445 177.300 -0.002 0.000 1.153 18 P CA 1.320 64.421 63.100 0.003 0.000 0.853 18 P CB -0.155 31.562 31.700 0.028 0.000 0.788 19 Q N 0.250 120.056 119.800 0.009 0.000 2.119 19 Q HA -0.139 4.201 4.340 0.001 0.000 0.201 19 Q C 1.931 177.929 176.000 -0.003 0.000 0.972 19 Q CA 2.118 57.927 55.803 0.009 0.000 0.847 19 Q CB -0.916 27.835 28.738 0.022 0.000 0.903 19 Q HN 0.111 nan 8.270 nan 0.000 0.433 20 A N 1.283 124.098 122.820 -0.010 0.000 1.877 20 A HA -0.111 4.210 4.320 0.001 0.000 0.216 20 A C 2.275 179.840 177.584 -0.032 0.000 1.186 20 A CA 1.435 53.462 52.037 -0.016 0.000 0.620 20 A CB -0.702 18.288 19.000 -0.017 0.000 0.822 20 A HN 0.420 nan 8.150 nan 0.000 0.443 21 I N -0.194 120.347 120.570 -0.049 0.000 2.179 21 I HA -0.280 3.890 4.170 0.001 0.000 0.242 21 I C 2.980 179.066 176.117 -0.051 0.000 1.088 21 I CA 1.119 62.375 61.300 -0.072 0.000 1.357 21 I CB -0.403 37.533 38.000 -0.106 0.000 1.051 21 I HN 0.356 nan 8.210 nan 0.000 0.409 22 A N 0.808 123.608 122.820 -0.034 0.000 1.902 22 A HA -0.227 4.093 4.320 0.001 0.000 0.217 22 A C 2.326 179.898 177.584 -0.019 0.000 1.181 22 A CA 1.728 53.751 52.037 -0.023 0.000 0.623 22 A CB -0.464 18.529 19.000 -0.011 0.000 0.818 22 A HN 0.298 nan 8.150 nan 0.000 0.443 23 K N -0.530 119.862 120.400 -0.015 0.000 2.057 23 K HA -0.015 4.305 4.320 0.001 0.000 0.207 23 K C 1.820 178.410 176.600 -0.016 0.000 1.049 23 K CA 1.395 57.675 56.287 -0.010 0.000 0.931 23 K CB -0.333 32.165 32.500 -0.003 0.000 0.714 23 K HN 0.455 nan 8.250 nan 0.000 0.440 24 L N 0.239 121.448 121.223 -0.024 0.000 2.141 24 L HA -0.154 4.186 4.340 0.001 0.000 0.209 24 L C 2.193 179.038 176.870 -0.042 0.000 1.094 24 L CA 0.627 55.447 54.840 -0.033 0.000 0.763 24 L CB -0.226 41.807 42.059 -0.042 0.000 0.908 24 L HN 0.002 nan 8.230 nan 0.000 0.437 25 V N -0.110 119.779 119.914 -0.042 0.000 2.379 25 V HA -0.290 3.830 4.120 0.001 0.000 0.245 25 V C 2.183 178.259 176.094 -0.030 0.000 1.044 25 V CA 2.069 64.344 62.300 -0.041 0.000 1.036 25 V CB -0.383 31.417 31.823 -0.040 0.000 0.664 25 V HN 0.490 nan 8.190 nan 0.000 0.453 26 D N 0.547 120.933 120.400 -0.023 0.000 2.123 26 D HA -0.123 4.517 4.640 0.001 0.000 0.196 26 D C 2.172 178.461 176.300 -0.017 0.000 0.992 26 D CA 1.650 55.641 54.000 -0.016 0.000 0.833 26 D CB -0.461 40.333 40.800 -0.010 0.000 0.954 26 D HN 0.327 nan 8.370 nan 0.000 0.455 27 G N 0.375 109.164 108.800 -0.019 0.000 2.440 27 G HA2 -0.220 3.740 3.960 0.001 0.000 0.218 27 G HA3 -0.220 3.740 3.960 0.001 0.000 0.218 27 G C 1.809 176.690 174.900 -0.031 0.000 1.154 27 G CA 0.789 45.877 45.100 -0.019 0.000 0.767 27 G HN 0.359 nan 8.290 nan 0.000 0.552 28 L N -0.472 120.726 121.223 -0.043 0.000 2.017 28 L HA -0.074 4.266 4.340 0.001 0.000 0.208 28 L C 3.163 180.009 176.870 -0.041 0.000 1.073 28 L CA 1.273 56.079 54.840 -0.056 0.000 0.745 28 L CB -0.343 41.676 42.059 -0.066 0.000 0.894 28 L HN 0.140 nan 8.230 nan 0.000 0.432 29 R N -0.327 120.156 120.500 -0.029 0.000 2.127 29 R HA -0.115 4.225 4.340 0.001 0.000 0.238 29 R C 1.989 178.279 176.300 -0.016 0.000 1.134 29 R CA 1.108 57.197 56.100 -0.019 0.000 0.975 29 R CB -0.122 30.170 30.300 -0.013 0.000 0.865 29 R HN 0.259 nan 8.270 nan 0.000 0.447 30 R N -0.435 120.056 120.500 -0.016 0.000 2.325 30 R HA 0.066 4.407 4.340 0.001 0.000 0.214 30 R C 0.653 176.945 176.300 -0.013 0.000 0.961 30 R CA 0.540 56.633 56.100 -0.011 0.000 1.086 30 R CB 0.460 30.755 30.300 -0.008 0.000 1.037 30 R HN 0.429 nan 8.270 nan 0.000 0.493 31 G N 0.618 109.405 108.800 -0.021 0.000 2.162 31 G HA2 -0.274 3.687 3.960 0.001 0.000 0.260 31 G HA3 -0.274 3.687 3.960 0.001 0.000 0.260 31 G C 0.299 175.182 174.900 -0.028 0.000 0.976 31 G CA 0.169 45.254 45.100 -0.026 0.000 0.655 31 G HN 0.188 nan 8.290 nan 0.000 0.533 32 V N 1.107 121.007 119.914 -0.024 0.000 2.493 32 V HA 0.134 4.255 4.120 0.001 0.000 0.292 32 V C 1.830 177.900 176.094 -0.040 0.000 1.016 32 V CA 1.461 63.754 62.300 -0.010 0.000 1.097 32 V CB 1.215 33.040 31.823 0.003 0.000 0.947 32 V HN 0.539 nan 8.190 nan 0.000 0.479 33 K N 4.277 124.663 120.400 -0.024 0.000 2.025 33 K HA -0.036 4.284 4.320 0.001 0.000 0.207 33 K C 0.622 177.077 176.600 -0.242 0.000 1.049 33 K CA 1.040 57.246 56.287 -0.135 0.000 0.933 33 K CB 0.129 32.580 32.500 -0.081 0.000 0.714 33 K HN 0.828 nan 8.250 nan 0.000 0.438 34 H N 0.109 119.187 119.070 0.015 0.000 2.524 34 H HA 0.345 4.901 4.556 0.001 0.000 0.353 34 H C -0.753 174.623 175.328 0.080 0.000 1.136 34 H CA -0.772 55.323 56.048 0.078 0.000 1.193 34 H CB 1.891 31.815 29.762 0.270 0.000 1.558 34 H HN 0.172 nan 8.280 nan 0.000 0.515 35 Q N 0.763 120.667 119.800 0.175 0.000 2.456 35 Q HA 0.400 4.740 4.340 0.001 0.000 0.284 35 Q C -1.132 175.001 176.000 0.222 0.000 1.061 35 Q CA -0.811 55.076 55.803 0.140 0.000 0.799 35 Q CB 3.260 32.016 28.738 0.030 0.000 1.445 35 Q HN 0.534 nan 8.270 nan 0.000 0.411 36 T N 1.468 116.137 114.554 0.191 0.000 2.881 36 T HA 0.408 4.759 4.350 0.001 0.000 0.290 36 T C -1.508 173.265 174.700 0.121 0.000 1.000 36 T CA -0.519 61.712 62.100 0.218 0.000 0.978 36 T CB 0.950 69.943 68.868 0.208 0.000 0.997 36 T HN 0.311 nan 8.240 nan 0.000 0.443 37 L N 4.942 126.234 121.223 0.115 0.000 2.287 37 L HA 0.551 4.891 4.340 0.001 0.000 0.280 37 L C -0.667 176.248 176.870 0.076 0.000 1.055 37 L CA -0.829 54.055 54.840 0.072 0.000 0.863 37 L CB 0.259 42.349 42.059 0.053 0.000 1.245 37 L HN 0.572 nan 8.230 nan 0.000 0.432 38 L N 5.575 126.831 121.223 0.055 0.000 2.433 38 L HA 0.655 4.996 4.340 0.001 0.000 0.284 38 L C 0.267 177.154 176.870 0.028 0.000 1.120 38 L CA 0.398 55.262 54.840 0.039 0.000 0.879 38 L CB 0.118 42.192 42.059 0.024 0.000 1.232 38 L HN 0.681 nan 8.230 nan 0.000 0.454 39 G N 4.493 113.313 108.800 0.034 0.000 2.702 39 G HA2 0.674 4.635 3.960 0.001 0.000 0.295 39 G HA3 0.674 4.635 3.960 0.001 0.000 0.295 39 G C -0.647 174.268 174.900 0.025 0.000 1.446 39 G CA -0.190 44.928 45.100 0.029 0.000 0.983 39 G HN 0.950 nan 8.290 nan 0.000 0.520 40 A N 2.138 124.963 122.820 0.008 0.000 2.425 40 A HA 0.648 4.968 4.320 0.001 0.000 0.242 40 A C 0.960 178.552 177.584 0.014 0.000 1.077 40 A CA 0.158 52.197 52.037 0.002 0.000 0.781 40 A CB 0.566 19.559 19.000 -0.013 0.000 1.020 40 A HN 1.008 nan 8.150 nan 0.000 0.494 41 T N 0.093 114.657 114.554 0.016 0.000 2.884 41 T HA 0.473 4.823 4.350 0.001 0.000 0.298 41 T C 1.275 175.984 174.700 0.016 0.000 0.998 41 T CA 1.266 63.383 62.100 0.028 0.000 1.124 41 T CB 0.188 69.075 68.868 0.031 0.000 0.931 41 T HN 2.275 nan 8.240 nan 0.000 0.531 42 G N 2.972 111.785 108.800 0.021 0.000 2.218 42 G HA2 -0.191 3.769 3.960 0.001 0.000 0.216 42 G HA3 -0.191 3.769 3.960 0.001 0.000 0.216 42 G C 0.427 175.324 174.900 -0.004 0.000 0.994 42 G CA 0.365 45.469 45.100 0.005 0.000 0.637 42 G HN 1.117 nan 8.290 nan 0.000 0.505 43 T N -0.159 114.398 114.554 0.005 0.000 2.849 43 T HA 0.559 4.909 4.350 0.001 0.000 0.276 43 T C 1.181 175.911 174.700 0.050 0.000 0.971 43 T CA 0.827 62.930 62.100 0.006 0.000 0.949 43 T CB 1.189 70.057 68.868 0.001 0.000 1.093 43 T HN 1.293 nan 8.240 nan 0.000 0.545 44 G N 1.982 110.832 108.800 0.083 0.000 3.101 44 G HA2 0.226 4.186 3.960 0.001 0.000 0.272 44 G HA3 0.226 4.186 3.960 0.001 0.000 0.272 44 G C 0.783 175.794 174.900 0.186 0.000 0.801 44 G CA -0.456 44.748 45.100 0.172 0.000 1.978 44 G HN 0.857 nan 8.290 nan 0.000 0.591 45 K N 0.409 120.890 120.400 0.136 0.000 2.074 45 K HA -0.139 4.182 4.320 0.001 0.000 0.209 45 K C 2.621 179.308 176.600 0.145 0.000 1.048 45 K CA 2.095 58.451 56.287 0.116 0.000 0.926 45 K CB -0.042 32.521 32.500 0.105 0.000 0.713 45 K HN 0.368 nan 8.250 nan 0.000 0.444 46 T N 0.493 115.179 114.554 0.221 0.000 2.867 46 T HA -0.118 4.232 4.350 0.001 0.000 0.268 46 T C 1.405 176.269 174.700 0.273 0.000 1.057 46 T CA 1.005 63.279 62.100 0.289 0.000 1.136 46 T CB -0.269 68.840 68.868 0.403 0.000 0.874 46 T HN 0.162 nan 8.240 nan 0.000 0.466 47 F N 2.062 122.043 119.950 0.052 0.000 2.163 47 F HA -0.051 4.476 4.527 0.001 0.000 0.297 47 F C 2.435 178.117 175.800 -0.197 0.000 1.094 47 F CA 1.024 58.841 58.000 -0.305 0.000 1.290 47 F CB -0.996 37.920 39.000 -0.139 0.000 1.017 47 F HN 0.022 nan 8.300 nan 0.000 0.483 48 T N 1.860 116.332 114.554 -0.136 0.000 2.607 48 T HA -0.207 4.143 4.350 0.001 0.000 0.267 48 T C 2.149 176.736 174.700 -0.189 0.000 1.049 48 T CA 1.960 63.944 62.100 -0.193 0.000 1.162 48 T CB -0.421 68.416 68.868 -0.052 0.000 0.863 48 T HN 0.119 nan 8.240 nan 0.000 0.424 49 I N 1.506 122.024 120.570 -0.086 0.000 2.208 49 I HA -0.154 4.017 4.170 0.001 0.000 0.245 49 I C 2.628 178.684 176.117 -0.101 0.000 1.097 49 I CA 1.398 62.657 61.300 -0.069 0.000 1.363 49 I CB -1.395 36.602 38.000 -0.004 0.000 1.051 49 I HN 0.216 nan 8.210 nan 0.000 0.413 50 S N 0.840 116.480 115.700 -0.100 0.000 2.382 50 S HA -0.153 4.317 4.470 0.001 0.000 0.228 50 S C 1.763 176.291 174.600 -0.120 0.000 1.027 50 S CA 1.081 59.275 58.200 -0.010 0.000 0.991 50 S CB -0.358 62.783 63.200 -0.098 0.000 0.823 50 S HN 0.485 nan 8.310 nan 0.000 0.469 51 N N 0.994 119.476 118.700 -0.364 0.000 2.166 51 N HA -0.064 4.677 4.740 0.001 0.000 0.186 51 N C 1.747 177.146 175.510 -0.186 0.000 1.019 51 N CA 1.107 53.951 53.050 -0.344 0.000 0.856 51 N CB -0.231 37.958 38.487 -0.497 0.000 0.993 51 N HN 0.205 nan 8.380 nan 0.000 0.426 52 V N 2.008 121.820 119.914 -0.170 0.000 2.295 52 V HA -0.190 3.930 4.120 0.001 0.000 0.246 52 V C 2.325 178.346 176.094 -0.122 0.000 1.049 52 V CA 1.216 63.441 62.300 -0.124 0.000 1.024 52 V CB -0.332 31.422 31.823 -0.114 0.000 0.648 52 V HN 0.220 nan 8.190 nan 0.000 0.447 53 I N 0.390 120.857 120.570 -0.172 0.000 2.163 53 I HA -0.277 3.893 4.170 0.001 0.000 0.243 53 I C 2.669 178.639 176.117 -0.246 0.000 1.085 53 I CA 1.617 62.742 61.300 -0.292 0.000 1.347 53 I CB -0.602 37.078 38.000 -0.533 0.000 1.044 53 I HN 0.300 nan 8.210 nan 0.000 0.408 54 A N 0.158 122.909 122.820 -0.114 0.000 1.877 54 A HA -0.257 4.063 4.320 0.001 0.000 0.216 54 A C 2.231 179.877 177.584 0.103 0.000 1.186 54 A CA 1.607 53.695 52.037 0.085 0.000 0.620 54 A CB -0.635 18.463 19.000 0.164 0.000 0.822 54 A HN 0.508 nan 8.150 nan 0.000 0.443 55 Q N -0.469 119.345 119.800 0.023 0.000 2.297 55 Q HA -0.043 4.298 4.340 0.001 0.000 0.204 55 Q C 1.825 177.844 176.000 0.032 0.000 0.962 55 Q CA 1.481 57.298 55.803 0.022 0.000 0.879 55 Q CB -0.168 28.560 28.738 -0.016 0.000 0.947 55 Q HN 0.756 nan 8.270 nan 0.000 0.462 56 V N -3.551 116.381 119.914 0.030 0.000 3.644 56 V HA 0.132 4.252 4.120 0.001 0.000 0.267 56 V C 0.626 176.774 176.094 0.090 0.000 1.277 56 V CA -0.193 62.128 62.300 0.035 0.000 1.096 56 V CB -0.081 31.739 31.823 -0.005 0.000 0.828 56 V HN 0.335 nan 8.190 nan 0.000 0.446 57 N N 1.846 120.658 118.700 0.186 0.000 2.688 57 N HA -0.192 4.548 4.740 0.001 0.000 0.258 57 N C -0.313 175.332 175.510 0.226 0.000 1.016 57 N CA 0.952 54.178 53.050 0.293 0.000 0.747 57 N CB -0.587 37.993 38.487 0.155 0.000 0.895 57 N HN 0.729 nan 8.380 nan 0.000 0.543 58 K N 0.890 121.463 120.400 0.289 0.000 2.324 58 K HA 0.407 4.727 4.320 0.001 0.000 0.253 58 K C -2.409 174.371 176.600 0.299 0.000 0.932 58 K CA -1.679 54.729 56.287 0.201 0.000 0.799 58 K CB 2.056 34.610 32.500 0.091 0.000 1.154 58 K HN 0.014 nan 8.250 nan 0.000 0.425 59 P HA 0.009 nan 4.420 nan 0.000 0.267 59 P C -0.834 176.689 177.300 0.372 0.000 1.209 59 P CA 0.017 63.328 63.100 0.351 0.000 0.763 59 P CB 0.719 32.595 31.700 0.293 0.000 0.816 60 T N 3.553 118.297 114.554 0.316 0.000 2.908 60 T HA 0.514 4.864 4.350 0.001 0.000 0.290 60 T C -0.619 174.127 174.700 0.077 0.000 1.034 60 T CA -0.445 61.706 62.100 0.085 0.000 1.010 60 T CB 1.206 70.054 68.868 -0.033 0.000 1.068 60 T HN 0.242 nan 8.240 nan 0.000 0.481 61 L N 3.495 124.630 121.223 -0.147 0.000 2.349 61 L HA 0.776 5.116 4.340 0.001 0.000 0.278 61 L C -0.799 176.021 176.870 -0.083 0.000 0.996 61 L CA -0.828 53.952 54.840 -0.099 0.000 0.825 61 L CB 1.399 43.271 42.059 -0.313 0.000 1.243 61 L HN 0.485 nan 8.230 nan 0.000 0.412 62 V N 6.755 126.662 119.914 -0.012 0.000 2.370 62 V HA 0.598 4.719 4.120 0.001 0.000 0.283 62 V C -0.440 175.653 176.094 -0.002 0.000 1.023 62 V CA -0.350 61.946 62.300 -0.006 0.000 0.857 62 V CB 1.233 33.071 31.823 0.026 0.000 0.985 62 V HN 0.694 nan 8.190 nan 0.000 0.443 63 I N 7.148 127.713 120.570 -0.009 0.000 2.321 63 I HA 0.695 4.866 4.170 0.001 0.000 0.291 63 I C 0.559 176.684 176.117 0.012 0.000 0.998 63 I CA -0.315 60.974 61.300 -0.017 0.000 1.227 63 I CB 1.474 39.453 38.000 -0.035 0.000 1.368 63 I HN 0.807 nan 8.210 nan 0.000 0.466 64 A N 3.967 126.784 122.820 -0.005 0.000 2.311 64 A HA 0.470 4.790 4.320 0.001 0.000 0.334 64 A C 0.372 177.960 177.584 0.007 0.000 1.139 64 A CA -0.535 51.500 52.037 -0.003 0.000 0.830 64 A CB 0.513 19.487 19.000 -0.044 0.000 1.234 64 A HN 0.912 nan 8.150 nan 0.000 0.483 65 H N -0.159 118.918 119.070 0.012 0.000 2.551 65 H HA 0.223 4.779 4.556 0.001 0.000 0.266 65 H C 0.178 175.529 175.328 0.038 0.000 0.964 65 H CA 0.801 56.861 56.048 0.018 0.000 1.180 65 H CB -0.081 29.683 29.762 0.003 0.000 1.408 65 H HN 0.659 nan 8.280 nan 0.000 0.563 66 N N -1.200 117.294 118.700 -0.343 0.000 2.902 66 N HA 0.123 4.863 4.740 0.001 0.000 0.268 66 N C 0.322 175.729 175.510 -0.171 0.000 1.450 66 N CA -1.078 51.859 53.050 -0.189 0.000 0.819 66 N CB 1.346 39.731 38.487 -0.170 0.000 1.540 66 N HN -0.008 nan 8.380 nan 0.000 0.545 67 K N -1.027 119.264 120.400 -0.181 0.000 2.167 67 K HA -0.089 4.231 4.320 0.001 0.000 0.203 67 K C 1.267 177.828 176.600 -0.064 0.000 1.052 67 K CA 1.920 58.115 56.287 -0.154 0.000 0.956 67 K CB -0.386 31.927 32.500 -0.312 0.000 0.735 67 K HN 0.798 nan 8.250 nan 0.000 0.451 68 T N -0.475 114.038 114.554 -0.068 0.000 2.770 68 T HA -0.070 4.281 4.350 0.001 0.000 0.263 68 T C 2.138 176.838 174.700 0.001 0.000 1.039 68 T CA 0.772 62.865 62.100 -0.012 0.000 1.142 68 T CB -0.444 68.431 68.868 0.011 0.000 0.868 68 T HN 0.132 nan 8.240 nan 0.000 0.435 69 L N 1.399 122.590 121.223 -0.053 0.000 2.042 69 L HA -0.059 4.281 4.340 0.001 0.000 0.210 69 L C 3.410 180.295 176.870 0.024 0.000 1.076 69 L CA 1.426 56.244 54.840 -0.036 0.000 0.749 69 L CB -0.985 40.991 42.059 -0.138 0.000 0.893 69 L HN 0.417 nan 8.230 nan 0.000 0.432 70 A N 0.542 123.371 122.820 0.015 0.000 1.883 70 A HA -0.183 4.137 4.320 0.001 0.000 0.217 70 A C 2.428 180.169 177.584 0.263 0.000 1.186 70 A CA 1.994 54.085 52.037 0.089 0.000 0.624 70 A CB -1.405 17.592 19.000 -0.004 0.000 0.822 70 A HN 0.458 nan 8.150 nan 0.000 0.444 71 G N -1.398 107.557 108.800 0.259 0.000 2.432 71 G HA2 -0.224 3.737 3.960 0.001 0.000 0.219 71 G HA3 -0.224 3.737 3.960 0.001 0.000 0.219 71 G C 1.624 176.641 174.900 0.195 0.000 1.135 71 G CA 1.133 46.375 45.100 0.237 0.000 0.767 71 G HN 0.615 nan 8.290 nan 0.000 0.550 72 Q N -0.499 119.380 119.800 0.132 0.000 2.016 72 Q HA 0.077 4.417 4.340 0.001 0.000 0.200 72 Q C 2.641 178.709 176.000 0.114 0.000 0.978 72 Q CA 0.888 56.747 55.803 0.093 0.000 0.833 72 Q CB -0.219 28.559 28.738 0.068 0.000 0.895 72 Q HN 0.476 nan 8.270 nan 0.000 0.427 73 L N -0.535 120.777 121.223 0.148 0.000 2.043 73 L HA -0.245 4.095 4.340 0.001 0.000 0.212 73 L C 2.318 179.320 176.870 0.220 0.000 1.075 73 L CA 1.466 56.410 54.840 0.173 0.000 0.752 73 L CB -0.581 41.579 42.059 0.168 0.000 0.891 73 L HN 0.360 nan 8.230 nan 0.000 0.432 74 Y N 0.083 120.460 120.300 0.128 0.000 2.145 74 Y HA -0.298 4.252 4.550 0.001 0.000 0.286 74 Y C 2.968 178.912 175.900 0.073 0.000 1.145 74 Y CA 1.636 59.820 58.100 0.140 0.000 1.148 74 Y CB -0.459 38.126 38.460 0.208 0.000 0.981 74 Y HN 0.178 nan 8.280 nan 0.000 0.507 75 S N -0.154 115.530 115.700 -0.026 0.000 2.356 75 S HA -0.224 4.247 4.470 0.001 0.000 0.223 75 S C 1.847 176.340 174.600 -0.179 0.000 1.032 75 S CA 1.688 59.789 58.200 -0.165 0.000 1.005 75 S CB -0.547 62.618 63.200 -0.058 0.000 0.867 75 S HN 0.692 nan 8.310 nan 0.000 0.449 76 E N 0.800 120.925 120.200 -0.125 0.000 2.085 76 E HA -0.110 4.240 4.350 0.001 0.000 0.194 76 E C 2.202 178.653 176.600 -0.248 0.000 0.994 76 E CA 1.448 57.693 56.400 -0.257 0.000 0.801 76 E CB -0.370 29.232 29.700 -0.163 0.000 0.743 76 E HN 0.504 nan 8.360 nan 0.000 0.453 77 L N 1.018 122.251 121.223 0.016 0.000 2.093 77 L HA -0.168 4.172 4.340 0.001 0.000 0.208 77 L C 2.449 179.407 176.870 0.147 0.000 1.085 77 L CA 1.022 55.999 54.840 0.229 0.000 0.755 77 L CB -0.263 41.969 42.059 0.288 0.000 0.904 77 L HN 0.047 nan 8.230 nan 0.000 0.435 78 K N 0.056 120.400 120.400 -0.092 0.000 2.063 78 K HA -0.207 4.113 4.320 0.001 0.000 0.208 78 K C 1.974 178.517 176.600 -0.095 0.000 1.048 78 K CA 1.532 57.737 56.287 -0.137 0.000 0.928 78 K CB -0.090 32.212 32.500 -0.329 0.000 0.713 78 K HN 0.428 nan 8.250 nan 0.000 0.442 79 E N -0.224 119.868 120.200 -0.180 0.000 2.072 79 E HA -0.132 4.218 4.350 0.001 0.000 0.191 79 E C 1.874 178.365 176.600 -0.182 0.000 0.985 79 E CA 0.957 57.223 56.400 -0.223 0.000 0.801 79 E CB -0.093 29.410 29.700 -0.329 0.000 0.750 79 E HN 0.179 nan 8.360 nan 0.000 0.452 80 F N -0.401 119.465 119.950 -0.141 0.000 2.365 80 F HA -0.037 4.490 4.527 0.001 0.000 0.300 80 F C 0.842 176.229 175.800 -0.689 0.000 1.090 80 F CA 0.804 58.569 58.000 -0.391 0.000 1.408 80 F CB 0.014 38.748 39.000 -0.443 0.000 1.060 80 F HN -0.094 nan 8.300 nan 0.000 0.534 81 F N 0.448 120.491 119.950 0.155 0.000 2.564 81 F HA 0.322 4.849 4.527 0.001 0.000 0.329 81 F C -1.727 174.084 175.800 0.018 0.000 1.458 81 F CA -1.726 56.346 58.000 0.119 0.000 1.117 81 F CB 0.391 39.498 39.000 0.179 0.000 1.383 81 F HN -0.245 nan 8.300 nan 0.000 0.571 82 P HA -0.102 nan 4.420 nan 0.000 0.230 82 P C 0.475 177.666 177.300 -0.182 0.000 1.158 82 P CA 1.533 64.528 63.100 -0.175 0.000 0.769 82 P CB 0.029 31.506 31.700 -0.371 0.000 0.807 83 H N -2.125 117.041 119.070 0.160 0.000 2.755 83 H HA 0.235 4.791 4.556 0.001 0.000 0.273 83 H C 0.627 176.037 175.328 0.138 0.000 1.055 83 H CA -0.405 55.718 56.048 0.126 0.000 1.191 83 H CB 0.191 30.018 29.762 0.109 0.000 1.536 83 H HN 0.210 nan 8.280 nan 0.000 0.529 84 N N 0.273 119.146 118.700 0.289 0.000 2.604 84 N HA 0.534 5.274 4.740 0.001 0.000 0.297 84 N C -0.691 174.923 175.510 0.174 0.000 1.266 84 N CA -0.654 52.529 53.050 0.221 0.000 0.961 84 N CB 1.030 39.708 38.487 0.318 0.000 1.166 84 N HN 0.081 nan 8.380 nan 0.000 0.601 85 A N 0.653 123.551 122.820 0.130 0.000 2.316 85 A HA 0.440 4.760 4.320 0.001 0.000 0.311 85 A C -0.754 176.928 177.584 0.163 0.000 1.339 85 A CA -0.404 51.707 52.037 0.124 0.000 0.960 85 A CB -0.301 18.744 19.000 0.075 0.000 1.152 85 A HN 0.356 nan 8.150 nan 0.000 0.547 86 V N 4.327 124.353 119.914 0.186 0.000 2.398 86 V HA 0.425 4.546 4.120 0.001 0.000 0.286 86 V C -0.181 176.129 176.094 0.358 0.000 1.026 86 V CA -0.454 61.987 62.300 0.235 0.000 0.868 86 V CB 1.306 33.235 31.823 0.177 0.000 0.982 86 V HN 0.959 nan 8.190 nan 0.000 0.443 87 E N 3.061 123.481 120.200 0.365 0.000 2.378 87 E HA 0.484 4.835 4.350 0.001 0.000 0.265 87 E C -1.705 175.063 176.600 0.280 0.000 0.932 87 E CA -0.802 55.804 56.400 0.344 0.000 0.795 87 E CB 3.086 32.896 29.700 0.184 0.000 1.296 87 E HN 0.564 nan 8.360 nan 0.000 0.438 88 Y N 0.556 120.800 120.300 -0.094 0.000 2.329 88 Y HA 0.443 4.994 4.550 0.001 0.000 0.328 88 Y C -1.755 174.090 175.900 -0.093 0.000 0.992 88 Y CA -1.029 56.903 58.100 -0.281 0.000 1.151 88 Y CB 1.037 39.036 38.460 -0.770 0.000 1.150 88 Y HN 0.493 nan 8.280 nan 0.000 0.450 89 F N 8.432 128.068 119.950 -0.524 0.000 2.532 89 F HA 0.591 5.119 4.527 0.001 0.000 0.365 89 F C -1.176 174.332 175.800 -0.487 0.000 1.112 89 F CA -0.726 57.029 58.000 -0.409 0.000 1.082 89 F CB 0.438 39.260 39.000 -0.296 0.000 1.319 89 F HN 0.357 nan 8.300 nan 0.000 0.457 90 V N 1.626 121.158 119.914 -0.636 0.000 3.181 90 V HA 0.912 5.033 4.120 0.001 0.000 0.314 90 V C -0.523 175.317 176.094 -0.422 0.000 1.173 90 V CA -0.215 61.825 62.300 -0.432 0.000 1.052 90 V CB 1.370 32.992 31.823 -0.334 0.000 1.123 90 V HN 0.645 nan 8.190 nan 0.000 0.454 91 S N -0.880 114.727 115.700 -0.155 0.000 2.811 91 S HA 0.513 4.983 4.470 0.001 0.000 0.311 91 S C 0.579 175.277 174.600 0.164 0.000 1.152 91 S CA -0.066 58.138 58.200 0.007 0.000 0.864 91 S CB 1.079 64.364 63.200 0.141 0.000 1.226 91 S HN 0.938 nan 8.310 nan 0.000 0.541 92 Y N 1.033 121.403 120.300 0.117 0.000 2.003 92 Y HA -0.364 4.186 4.550 0.001 0.000 0.261 92 Y C 2.284 178.271 175.900 0.145 0.000 1.211 92 Y CA 3.251 61.424 58.100 0.122 0.000 1.098 92 Y CB -1.001 37.545 38.460 0.143 0.000 0.925 92 Y HN 0.851 nan 8.280 nan 0.000 0.498 93 Y N 1.736 122.233 120.300 0.328 0.000 2.219 93 Y HA -0.380 4.170 4.550 0.001 0.000 0.283 93 Y C 2.383 178.357 175.900 0.122 0.000 1.191 93 Y CA 1.689 59.924 58.100 0.226 0.000 1.199 93 Y CB -0.924 37.694 38.460 0.263 0.000 0.972 93 Y HN 0.462 nan 8.280 nan 0.000 0.527 94 D N -0.271 119.898 120.400 -0.385 0.000 2.200 94 D HA -0.351 4.289 4.640 0.001 0.000 0.192 94 D C 1.140 177.124 176.300 -0.528 0.000 1.008 94 D CA 2.496 56.111 54.000 -0.642 0.000 0.872 94 D CB -0.995 39.578 40.800 -0.379 0.000 0.923 94 D HN 0.726 nan 8.370 nan 0.000 0.447 95 Y N -1.010 119.148 120.300 -0.236 0.000 2.795 95 Y HA 0.458 5.008 4.550 0.001 0.000 0.274 95 Y C 0.819 176.647 175.900 -0.121 0.000 1.035 95 Y CA -0.416 57.585 58.100 -0.165 0.000 1.252 95 Y CB 1.053 39.439 38.460 -0.124 0.000 1.399 95 Y HN 0.119 nan 8.280 nan 0.000 0.579 96 A N 1.109 123.950 122.820 0.035 0.000 2.311 96 A HA 0.633 4.953 4.320 0.001 0.000 0.334 96 A C -0.750 176.923 177.584 0.148 0.000 1.139 96 A CA -0.627 51.424 52.037 0.022 0.000 0.830 96 A CB 0.772 19.661 19.000 -0.185 0.000 1.234 96 A HN 0.268 nan 8.150 nan 0.000 0.483 97 Q N 1.323 121.215 119.800 0.153 0.000 2.290 97 Q HA 0.584 4.924 4.340 0.001 0.000 0.259 97 Q C -2.676 173.426 176.000 0.169 0.000 0.941 97 Q CA -1.911 53.977 55.803 0.142 0.000 0.912 97 Q CB 1.213 29.981 28.738 0.051 0.000 1.244 97 Q HN 0.468 nan 8.270 nan 0.000 0.441 98 P HA -0.035 nan 4.420 nan 0.000 0.274 98 P C -0.413 176.845 177.300 -0.069 0.000 1.231 98 P CA -0.294 62.788 63.100 -0.030 0.000 0.790 98 P CB 0.775 32.443 31.700 -0.052 0.000 0.951 99 E N 0.323 120.456 120.200 -0.112 0.000 2.653 99 E HA 0.197 4.547 4.350 0.001 0.000 0.264 99 E C -0.432 176.109 176.600 -0.099 0.000 0.949 99 E CA 0.545 56.878 56.400 -0.113 0.000 0.953 99 E CB 0.153 29.825 29.700 -0.046 0.000 0.925 99 E HN 0.572 nan 8.360 nan 0.000 0.475 100 A N 4.017 126.756 122.820 -0.135 0.000 2.610 100 A HA 0.501 4.821 4.320 0.001 0.000 0.291 100 A C -2.110 175.446 177.584 -0.046 0.000 1.086 100 A CA -0.627 51.359 52.037 -0.085 0.000 0.677 100 A CB 1.269 20.224 19.000 -0.075 0.000 1.278 100 A HN 0.549 nan 8.150 nan 0.000 0.414 101 Y N 0.354 120.538 120.300 -0.193 0.000 2.421 101 Y HA 0.564 5.114 4.550 0.001 0.000 0.339 101 Y C -1.303 174.519 175.900 -0.129 0.000 0.996 101 Y CA -0.852 57.131 58.100 -0.195 0.000 1.046 101 Y CB 2.126 40.405 38.460 -0.303 0.000 1.226 101 Y HN 0.539 nan 8.280 nan 0.000 0.445 102 V N 9.870 129.409 119.914 -0.624 0.000 2.304 102 V HA 0.244 4.365 4.120 0.001 0.000 0.269 102 V C -1.863 173.704 176.094 -0.877 0.000 1.036 102 V CA -1.522 60.461 62.300 -0.529 0.000 0.840 102 V CB 1.105 32.750 31.823 -0.296 0.000 1.036 102 V HN 0.728 nan 8.190 nan 0.000 0.466 103 P HA -0.164 nan 4.420 nan 0.000 0.215 103 P C 1.435 178.554 177.300 -0.302 0.000 1.153 103 P CA 1.133 63.879 63.100 -0.589 0.000 0.853 103 P CB 0.337 31.912 31.700 -0.209 0.000 0.788 104 Q N -0.662 119.013 119.800 -0.208 0.000 2.096 104 Q HA -0.125 4.216 4.340 0.001 0.000 0.204 104 Q C 1.914 177.844 176.000 -0.116 0.000 0.982 104 Q CA 2.409 58.143 55.803 -0.115 0.000 0.850 104 Q CB -1.319 27.368 28.738 -0.085 0.000 0.901 104 Q HN 0.380 nan 8.270 nan 0.000 0.422 105 T N -3.524 110.929 114.554 -0.170 0.000 3.069 105 T HA 0.140 4.490 4.350 0.001 0.000 0.252 105 T C 0.205 174.830 174.700 -0.125 0.000 1.053 105 T CA 0.288 62.314 62.100 -0.124 0.000 0.964 105 T CB 0.226 69.029 68.868 -0.109 0.000 1.005 105 T HN 0.220 nan 8.240 nan 0.000 0.532 106 D N 1.194 121.467 120.400 -0.211 0.000 2.772 106 D HA -0.138 4.502 4.640 0.001 0.000 0.233 106 D C -0.846 175.454 176.300 -0.001 0.000 1.143 106 D CA 0.956 54.901 54.000 -0.091 0.000 0.700 106 D CB -1.712 39.132 40.800 0.074 0.000 1.076 106 D HN 0.552 nan 8.370 nan 0.000 0.430 107 T N 1.585 116.033 114.554 -0.176 0.000 2.749 107 T HA 0.331 4.681 4.350 0.001 0.000 0.287 107 T C -0.352 174.399 174.700 0.085 0.000 0.970 107 T CA -0.587 61.498 62.100 -0.025 0.000 0.980 107 T CB 0.981 69.795 68.868 -0.090 0.000 0.924 107 T HN 0.185 nan 8.240 nan 0.000 0.456 108 Y N 4.185 124.560 120.300 0.124 0.000 2.335 108 Y HA 0.565 5.115 4.550 0.001 0.000 0.339 108 Y C -0.790 175.098 175.900 -0.020 0.000 0.987 108 Y CA -1.829 56.322 58.100 0.086 0.000 1.140 108 Y CB 0.380 38.923 38.460 0.138 0.000 1.173 108 Y HN 0.590 nan 8.280 nan 0.000 0.486 109 I N 6.498 126.751 120.570 -0.528 0.000 2.307 109 I HA 0.162 4.333 4.170 0.001 0.000 0.287 109 I C -0.054 175.579 176.117 -0.807 0.000 1.054 109 I CA -0.476 60.514 61.300 -0.516 0.000 1.218 109 I CB 0.714 38.565 38.000 -0.248 0.000 1.398 109 I HN 0.631 nan 8.210 nan 0.000 0.475 110 E N 6.426 126.112 120.200 -0.857 0.000 2.414 110 E HA -0.015 4.335 4.350 0.001 0.000 0.263 110 E C 0.163 176.628 176.600 -0.225 0.000 1.000 110 E CA -0.103 55.953 56.400 -0.574 0.000 0.914 110 E CB 0.690 30.227 29.700 -0.272 0.000 0.948 110 E HN 0.344 nan 8.360 nan 0.000 0.444 111 K N 3.426 123.761 120.400 -0.110 0.000 2.401 111 K HA -0.022 4.298 4.320 0.001 0.000 0.278 111 K C -0.738 175.914 176.600 0.088 0.000 1.018 111 K CA 0.270 56.547 56.287 -0.017 0.000 0.981 111 K CB 0.523 32.966 32.500 -0.096 0.000 0.933 111 K HN 0.596 nan 8.250 nan 0.000 0.477 112 D N 2.923 123.464 120.400 0.234 0.000 2.750 112 D HA 0.054 4.694 4.640 0.001 0.000 0.142 112 D C -0.609 175.788 176.300 0.161 0.000 1.370 112 D CA -0.032 54.064 54.000 0.160 0.000 1.563 112 D CB -0.910 39.927 40.800 0.061 0.000 1.697 112 D HN 0.538 nan 8.370 nan 0.000 0.188 113 A N 1.227 124.076 122.820 0.049 0.000 1.898 113 A HA -0.134 4.186 4.320 0.001 0.000 0.338 113 A C 0.088 177.641 177.584 -0.051 0.000 0.853 113 A CA 0.620 52.630 52.037 -0.046 0.000 1.514 113 A CB -1.400 17.518 19.000 -0.137 0.000 0.632 113 A HN 0.358 nan 8.150 nan 0.000 0.231 114 K N 4.041 124.443 120.400 0.004 0.000 2.323 114 K HA -0.023 4.297 4.320 0.001 0.000 0.262 114 K C 0.734 177.330 176.600 -0.006 0.000 1.238 114 K CA 0.250 56.553 56.287 0.026 0.000 1.249 114 K CB -0.529 31.985 32.500 0.022 0.000 0.805 114 K HN 0.658 nan 8.250 nan 0.000 0.489 115 I N 0.314 120.901 120.570 0.029 0.000 3.549 115 I HA -0.250 3.920 4.170 0.001 0.000 0.333 115 I C 0.449 176.555 176.117 -0.019 0.000 1.232 115 I CA 0.770 62.075 61.300 0.009 0.000 1.557 115 I CB -1.107 36.968 38.000 0.123 0.000 1.338 115 I HN 0.758 nan 8.210 nan 0.000 0.456 116 N N 4.929 123.590 118.700 -0.065 0.000 2.315 116 N HA -0.141 4.600 4.740 0.001 0.000 0.270 116 N C 0.844 176.335 175.510 -0.031 0.000 1.329 116 N CA 0.553 53.572 53.050 -0.051 0.000 0.860 116 N CB 0.493 38.941 38.487 -0.065 0.000 1.095 116 N HN 0.630 nan 8.380 nan 0.000 0.487 117 D N 3.150 123.531 120.400 -0.031 0.000 2.137 117 D HA -0.246 4.395 4.640 0.001 0.000 0.189 117 D C 1.503 177.788 176.300 -0.025 0.000 0.998 117 D CA 1.684 55.664 54.000 -0.034 0.000 0.839 117 D CB 0.070 40.839 40.800 -0.052 0.000 0.962 117 D HN 0.709 nan 8.370 nan 0.000 0.446 118 E N -0.345 119.839 120.200 -0.027 0.000 2.086 118 E HA -0.220 4.130 4.350 0.001 0.000 0.200 118 E C 2.423 179.015 176.600 -0.013 0.000 1.012 118 E CA 1.028 57.416 56.400 -0.020 0.000 0.812 118 E CB -0.229 29.452 29.700 -0.031 0.000 0.743 118 E HN 0.405 nan 8.360 nan 0.000 0.453 119 I N 0.632 121.190 120.570 -0.021 0.000 2.226 119 I HA -0.271 3.899 4.170 0.001 0.000 0.245 119 I C 2.169 178.262 176.117 -0.040 0.000 1.100 119 I CA 1.511 62.794 61.300 -0.027 0.000 1.374 119 I CB -0.208 37.764 38.000 -0.048 0.000 1.057 119 I HN 0.149 nan 8.210 nan 0.000 0.413 120 D N 0.629 121.025 120.400 -0.006 0.000 2.117 120 D HA -0.216 4.424 4.640 0.001 0.000 0.198 120 D C 2.233 178.608 176.300 0.125 0.000 0.982 120 D CA 1.057 55.085 54.000 0.048 0.000 0.828 120 D CB 0.027 40.880 40.800 0.088 0.000 0.967 120 D HN 0.078 nan 8.370 nan 0.000 0.464 121 K N 0.346 120.799 120.400 0.087 0.000 2.009 121 K HA -0.173 4.147 4.320 0.001 0.000 0.210 121 K C 2.141 178.812 176.600 0.119 0.000 1.049 121 K CA 1.085 57.438 56.287 0.110 0.000 0.929 121 K CB -0.378 32.155 32.500 0.055 0.000 0.714 121 K HN 0.224 nan 8.250 nan 0.000 0.440 122 L N 0.631 121.891 121.223 0.063 0.000 2.131 122 L HA -0.164 4.176 4.340 0.001 0.000 0.210 122 L C 2.631 179.515 176.870 0.024 0.000 1.092 122 L CA 1.235 56.111 54.840 0.061 0.000 0.759 122 L CB -0.325 41.773 42.059 0.064 0.000 0.903 122 L HN 0.211 nan 8.230 nan 0.000 0.435 123 R N -1.364 119.088 120.500 -0.080 0.000 2.092 123 R HA -0.112 4.228 4.340 0.001 0.000 0.231 123 R C 2.265 178.547 176.300 -0.029 0.000 1.119 123 R CA 0.882 56.867 56.100 -0.191 0.000 0.970 123 R CB -0.475 29.560 30.300 -0.442 0.000 0.864 123 R HN 0.452 nan 8.270 nan 0.000 0.440 124 H N 0.657 119.803 119.070 0.126 0.000 2.321 124 H HA -0.044 4.512 4.556 0.001 0.000 0.300 124 H C 2.358 177.754 175.328 0.114 0.000 1.087 124 H CA 1.993 58.133 56.048 0.153 0.000 1.319 124 H CB -0.043 29.778 29.762 0.098 0.000 1.379 124 H HN 0.252 nan 8.280 nan 0.000 0.501 125 S N 0.913 116.723 115.700 0.184 0.000 2.402 125 S HA -0.066 4.404 4.470 0.001 0.000 0.229 125 S C 2.448 177.084 174.600 0.061 0.000 1.021 125 S CA 0.711 58.981 58.200 0.116 0.000 0.974 125 S CB -0.353 62.922 63.200 0.124 0.000 0.800 125 S HN 0.463 nan 8.310 nan 0.000 0.484 126 A N 2.694 125.554 122.820 0.066 0.000 1.851 126 A HA -0.134 4.186 4.320 0.001 0.000 0.216 126 A C 2.622 180.138 177.584 -0.112 0.000 1.195 126 A CA 2.562 54.607 52.037 0.013 0.000 0.622 126 A CB -1.797 17.277 19.000 0.125 0.000 0.831 126 A HN 0.713 nan 8.150 nan 0.000 0.444 127 T N -1.726 112.762 114.554 -0.109 0.000 2.812 127 T HA -0.140 4.211 4.350 0.001 0.000 0.264 127 T C 2.055 176.769 174.700 0.023 0.000 1.042 127 T CA 2.030 64.028 62.100 -0.169 0.000 1.140 127 T CB -0.905 67.739 68.868 -0.372 0.000 0.870 127 T HN 0.606 nan 8.240 nan 0.000 0.445 128 S N 2.724 118.404 115.700 -0.033 0.000 2.368 128 S HA 0.104 4.574 4.470 0.001 0.000 0.224 128 S C 2.551 176.981 174.600 -0.284 0.000 1.029 128 S CA 0.848 58.737 58.200 -0.518 0.000 0.988 128 S CB -1.126 61.615 63.200 -0.765 0.000 0.838 128 S HN 0.767 nan 8.310 nan 0.000 0.462 129 A N 2.135 124.880 122.820 -0.125 0.000 1.948 129 A HA 0.029 4.349 4.320 0.001 0.000 0.220 129 A C 2.246 179.758 177.584 -0.120 0.000 1.177 129 A CA 1.467 53.463 52.037 -0.069 0.000 0.636 129 A CB -0.962 18.022 19.000 -0.027 0.000 0.815 129 A HN 0.528 nan 8.150 nan 0.000 0.449 130 L N -2.294 118.786 121.223 -0.238 0.000 2.275 130 L HA -0.095 4.246 4.340 0.001 0.000 0.215 130 L C 1.688 178.296 176.870 -0.437 0.000 1.119 130 L CA 0.873 55.458 54.840 -0.424 0.000 0.790 130 L CB -0.265 41.361 42.059 -0.722 0.000 0.919 130 L HN 0.454 nan 8.230 nan 0.000 0.443 131 F N -1.351 118.589 119.950 -0.016 0.000 2.695 131 F HA 0.046 4.574 4.527 0.001 0.000 0.303 131 F C 2.179 178.059 175.800 0.134 0.000 1.091 131 F CA 0.071 58.130 58.000 0.097 0.000 1.300 131 F CB 0.349 39.508 39.000 0.266 0.000 1.071 131 F HN -0.025 nan 8.300 nan 0.000 0.578 132 E N 0.082 120.402 120.200 0.200 0.000 2.340 132 E HA 0.109 4.459 4.350 0.001 0.000 0.198 132 E C 0.620 177.273 176.600 0.087 0.000 0.961 132 E CA 0.091 56.602 56.400 0.185 0.000 0.905 132 E CB 0.560 30.364 29.700 0.174 0.000 0.884 132 E HN 0.200 nan 8.360 nan 0.000 0.491 133 R N -1.714 118.799 120.500 0.021 0.000 2.766 133 R HA 0.430 4.770 4.340 0.001 0.000 0.270 133 R C 0.246 176.507 176.300 -0.065 0.000 1.035 133 R CA -0.813 55.275 56.100 -0.021 0.000 0.911 133 R CB 0.498 30.780 30.300 -0.031 0.000 1.243 133 R HN -0.204 nan 8.270 nan 0.000 0.460 134 R N 0.366 120.809 120.500 -0.095 0.000 2.140 134 R HA -0.007 4.333 4.340 0.001 0.000 0.213 134 R C -0.192 175.968 176.300 -0.233 0.000 1.059 134 R CA 1.160 57.185 56.100 -0.124 0.000 1.000 134 R CB 0.005 30.228 30.300 -0.129 0.000 0.910 134 R HN 0.722 nan 8.270 nan 0.000 0.455 135 D N 1.502 121.692 120.400 -0.350 0.000 2.619 135 D HA 0.036 4.677 4.640 0.001 0.000 0.224 135 D C 0.006 176.137 176.300 -0.282 0.000 1.133 135 D CA -0.138 53.425 54.000 -0.729 0.000 1.017 135 D CB 0.225 40.586 40.800 -0.732 0.000 1.077 135 D HN -0.097 nan 8.370 nan 0.000 0.503 136 V N -0.520 119.385 119.914 -0.014 0.000 2.841 136 V HA 0.630 4.751 4.120 0.001 0.000 0.310 136 V C -1.281 174.981 176.094 0.280 0.000 1.090 136 V CA -0.997 61.391 62.300 0.147 0.000 0.930 136 V CB 2.104 33.947 31.823 0.033 0.000 1.014 136 V HN 0.260 nan 8.190 nan 0.000 0.425 137 I N 6.145 126.845 120.570 0.215 0.000 2.418 137 I HA 0.509 4.680 4.170 0.001 0.000 0.287 137 I C -0.683 175.549 176.117 0.192 0.000 1.008 137 I CA -0.489 60.912 61.300 0.169 0.000 1.104 137 I CB 1.995 40.018 38.000 0.038 0.000 1.264 137 I HN 0.529 nan 8.210 nan 0.000 0.438 138 I N 6.733 127.431 120.570 0.213 0.000 2.330 138 I HA 0.279 4.449 4.170 0.001 0.000 0.289 138 I C -0.258 175.945 176.117 0.143 0.000 1.001 138 I CA -0.793 60.616 61.300 0.182 0.000 1.193 138 I CB 1.722 39.825 38.000 0.172 0.000 1.345 138 I HN 0.199 nan 8.210 nan 0.000 0.461 139 V N 6.526 126.530 119.914 0.150 0.000 2.432 139 V HA 0.615 4.735 4.120 0.001 0.000 0.271 139 V C 0.507 176.570 176.094 -0.052 0.000 1.046 139 V CA -0.079 62.277 62.300 0.094 0.000 0.945 139 V CB 0.893 32.839 31.823 0.204 0.000 0.992 139 V HN 0.855 nan 8.190 nan 0.000 0.471 140 A N 4.295 127.076 122.820 -0.065 0.000 2.485 140 A HA 0.936 5.257 4.320 0.001 0.000 0.292 140 A C -0.002 177.508 177.584 -0.122 0.000 1.147 140 A CA -0.224 51.746 52.037 -0.111 0.000 0.750 140 A CB 1.969 20.933 19.000 -0.060 0.000 1.331 140 A HN 0.880 nan 8.150 nan 0.000 0.419 141 S N -0.734 114.888 115.700 -0.131 0.000 2.719 141 S HA 0.416 4.887 4.470 0.001 0.000 0.285 141 S C 1.147 175.672 174.600 -0.124 0.000 1.137 141 S CA 0.117 58.260 58.200 -0.096 0.000 1.012 141 S CB 0.591 63.756 63.200 -0.059 0.000 1.134 141 S HN 1.954 nan 8.310 nan 0.000 0.544 142 V N -0.151 119.696 119.914 -0.111 0.000 3.140 142 V HA -0.059 4.061 4.120 0.001 0.000 0.269 142 V C 2.048 177.918 176.094 -0.372 0.000 1.149 142 V CA 1.737 63.922 62.300 -0.192 0.000 1.162 142 V CB -1.986 29.758 31.823 -0.130 0.000 0.756 142 V HN 0.979 nan 8.190 nan 0.000 0.523 143 S N 0.744 116.099 115.700 -0.574 0.000 2.547 143 S HA -0.168 4.302 4.470 0.001 0.000 0.235 143 S C 1.764 176.014 174.600 -0.583 0.000 0.980 143 S CA 0.843 58.267 58.200 -1.293 0.000 0.941 143 S CB -1.596 60.908 63.200 -1.160 0.000 0.763 143 S HN 1.047 nan 8.310 nan 0.000 0.532 144 C N 1.164 120.283 119.300 -0.302 0.000 2.485 144 C HA 0.329 4.789 4.460 0.001 0.000 0.283 144 C C 1.808 176.682 174.990 -0.193 0.000 1.478 144 C CA -0.324 58.517 59.018 -0.295 0.000 1.741 144 C CB -2.138 25.446 27.740 -0.259 0.000 1.675 144 C HN 0.812 nan 8.230 nan 0.000 0.573 145 I N -4.608 115.866 120.570 -0.160 0.000 4.025 145 I HA 0.391 4.562 4.170 0.001 0.000 0.336 145 I C 0.403 176.622 176.117 0.171 0.000 1.390 145 I CA -0.763 60.532 61.300 -0.007 0.000 1.099 145 I CB -0.512 37.457 38.000 -0.053 0.000 1.049 145 I HN 0.248 nan 8.210 nan 0.000 0.394 146 Y N 2.147 122.450 120.300 0.006 0.000 2.299 146 Y HA 0.495 5.045 4.550 0.001 0.000 0.335 146 Y C 1.528 177.478 175.900 0.084 0.000 1.287 146 Y CA -1.063 57.059 58.100 0.037 0.000 1.424 146 Y CB 0.634 39.122 38.460 0.047 0.000 1.326 146 Y HN 0.124 nan 8.280 nan 0.000 0.567 147 G N 1.621 110.605 108.800 0.307 0.000 2.340 147 G HA2 0.304 4.265 3.960 0.001 0.000 0.245 147 G HA3 0.304 4.265 3.960 0.001 0.000 0.245 147 G C -1.089 174.017 174.900 0.344 0.000 1.294 147 G CA -0.145 45.126 45.100 0.285 0.000 0.896 147 G HN 0.261 nan 8.290 nan 0.000 0.522 148 L N 1.387 122.776 121.223 0.277 0.000 2.350 148 L HA 0.746 5.087 4.340 0.001 0.000 0.260 148 L C 0.850 177.790 176.870 0.117 0.000 1.015 148 L CA -0.484 54.398 54.840 0.069 0.000 0.821 148 L CB 1.886 43.928 42.059 -0.028 0.000 1.370 148 L HN 0.684 nan 8.230 nan 0.000 0.416 149 G N 0.243 108.881 108.800 -0.270 0.000 2.544 149 G HA2 0.296 4.257 3.960 0.001 0.000 0.242 149 G HA3 0.296 4.257 3.960 0.001 0.000 0.242 149 G C -0.160 174.777 174.900 0.062 0.000 1.247 149 G CA -0.014 45.101 45.100 0.026 0.000 0.840 149 G HN 0.691 nan 8.290 nan 0.000 0.578 150 S N 1.802 117.466 115.700 -0.060 0.000 2.563 150 S HA 0.086 4.556 4.470 0.001 0.000 0.294 150 S C -0.375 173.963 174.600 -0.437 0.000 1.279 150 S CA -0.516 57.322 58.200 -0.602 0.000 1.069 150 S CB 1.004 63.833 63.200 -0.618 0.000 0.828 150 S HN 0.431 nan 8.310 nan 0.000 0.497 151 P HA -0.033 nan 4.420 nan 0.000 0.221 151 P C 0.784 177.857 177.300 -0.378 0.000 1.150 151 P CA 0.919 63.546 63.100 -0.789 0.000 0.800 151 P CB 0.143 31.205 31.700 -1.062 0.000 0.787 152 E N 0.433 120.432 120.200 -0.334 0.000 2.031 152 E HA -0.201 4.149 4.350 0.001 0.000 0.193 152 E C 2.152 178.645 176.600 -0.179 0.000 0.994 152 E CA 1.225 57.491 56.400 -0.223 0.000 0.800 152 E CB -0.606 28.992 29.700 -0.171 0.000 0.752 152 E HN 0.177 nan 8.360 nan 0.000 0.447 153 E N -0.246 119.869 120.200 -0.142 0.000 2.118 153 E HA -0.237 4.113 4.350 0.001 0.000 0.195 153 E C 1.772 178.368 176.600 -0.007 0.000 0.992 153 E CA 1.102 57.469 56.400 -0.056 0.000 0.804 153 E CB -0.289 29.406 29.700 -0.007 0.000 0.741 153 E HN 0.377 nan 8.360 nan 0.000 0.458 154 Y N 0.641 120.861 120.300 -0.134 0.000 2.145 154 Y HA -0.148 4.402 4.550 0.001 0.000 0.286 154 Y C 2.353 178.194 175.900 -0.099 0.000 1.145 154 Y CA 1.994 60.075 58.100 -0.032 0.000 1.148 154 Y CB -0.103 38.419 38.460 0.104 0.000 0.981 154 Y HN -0.064 nan 8.280 nan 0.000 0.507 155 R N 0.940 121.265 120.500 -0.292 0.000 2.062 155 R HA -0.121 4.219 4.340 0.001 0.000 0.229 155 R C 2.001 178.099 176.300 -0.336 0.000 1.128 155 R CA 1.992 57.796 56.100 -0.494 0.000 0.960 155 R CB -0.439 29.389 30.300 -0.788 0.000 0.855 155 R HN 0.528 nan 8.270 nan 0.000 0.432 156 E N 0.401 120.458 120.200 -0.238 0.000 2.204 156 E HA -0.149 4.201 4.350 0.001 0.000 0.195 156 E C 1.825 178.330 176.600 -0.159 0.000 0.990 156 E CA 0.843 57.142 56.400 -0.169 0.000 0.821 156 E CB -0.034 29.597 29.700 -0.116 0.000 0.750 156 E HN 0.307 nan 8.360 nan 0.000 0.477 157 L N 1.058 122.182 121.223 -0.164 0.000 2.599 157 L HA 0.024 4.364 4.340 0.001 0.000 0.230 157 L C 0.427 177.174 176.870 -0.206 0.000 1.141 157 L CA -0.334 54.422 54.840 -0.139 0.000 0.877 157 L CB 0.307 42.319 42.059 -0.079 0.000 1.009 157 L HN -0.094 nan 8.230 nan 0.000 0.447 158 V N 0.981 120.703 119.914 -0.320 0.000 2.644 158 V HA -0.105 4.016 4.120 0.001 0.000 0.305 158 V C 0.516 176.429 176.094 -0.303 0.000 1.053 158 V CA 0.168 62.200 62.300 -0.447 0.000 1.186 158 V CB 1.129 32.562 31.823 -0.649 0.000 0.895 158 V HN -0.113 nan 8.190 nan 0.000 0.490 159 V N 5.845 125.588 119.914 -0.284 0.000 2.339 159 V HA 0.256 4.377 4.120 0.001 0.000 0.261 159 V C 0.474 176.432 176.094 -0.228 0.000 1.058 159 V CA -0.052 62.123 62.300 -0.208 0.000 0.897 159 V CB 1.149 32.861 31.823 -0.184 0.000 1.052 159 V HN 1.007 nan 8.190 nan 0.000 0.480 160 S N 6.868 122.467 115.700 -0.169 0.000 2.448 160 S HA 0.701 5.171 4.470 0.001 0.000 0.320 160 S C -0.715 173.816 174.600 -0.115 0.000 1.071 160 S CA -0.713 57.405 58.200 -0.138 0.000 1.113 160 S CB 0.596 63.847 63.200 0.086 0.000 0.972 160 S HN 0.470 nan 8.310 nan 0.000 0.465 161 L N 3.915 124.995 121.223 -0.238 0.000 2.312 161 L HA 0.648 4.988 4.340 0.001 0.000 0.281 161 L C 0.812 177.592 176.870 -0.151 0.000 1.070 161 L CA -0.698 54.036 54.840 -0.177 0.000 0.805 161 L CB 0.809 42.751 42.059 -0.195 0.000 1.174 161 L HN 0.530 nan 8.230 nan 0.000 0.434 162 R N 1.289 121.761 120.500 -0.047 0.000 2.750 162 R HA 0.438 4.779 4.340 0.001 0.000 0.281 162 R C -1.061 175.212 176.300 -0.044 0.000 0.972 162 R CA -0.849 55.257 56.100 0.010 0.000 0.912 162 R CB 2.526 32.868 30.300 0.070 0.000 1.187 162 R HN 0.487 nan 8.270 nan 0.000 0.464 163 V N 0.308 120.200 119.914 -0.037 0.000 2.493 163 V HA 0.327 4.448 4.120 0.001 0.000 0.292 163 V C 1.018 177.082 176.094 -0.050 0.000 1.016 163 V CA 0.860 63.125 62.300 -0.058 0.000 1.097 163 V CB 0.264 32.060 31.823 -0.045 0.000 0.947 163 V HN 1.031 nan 8.190 nan 0.000 0.479 164 G N 3.037 111.799 108.800 -0.065 0.000 2.141 164 G HA2 -0.267 3.693 3.960 0.001 0.000 0.242 164 G HA3 -0.267 3.693 3.960 0.001 0.000 0.242 164 G C 0.042 174.926 174.900 -0.027 0.000 0.982 164 G CA 0.234 45.308 45.100 -0.043 0.000 0.662 164 G HN 1.044 nan 8.290 nan 0.000 0.527 165 M N 0.857 120.435 119.600 -0.036 0.000 2.228 165 M HA 0.350 4.831 4.480 0.001 0.000 0.351 165 M C 0.626 176.936 176.300 0.016 0.000 1.233 165 M CA -0.057 55.236 55.300 -0.013 0.000 1.129 165 M CB 0.447 33.035 32.600 -0.019 0.000 1.604 165 M HN 0.237 nan 8.290 nan 0.000 0.457 166 E N 5.349 125.564 120.200 0.025 0.000 2.159 166 E HA 0.266 4.617 4.350 0.001 0.000 0.272 166 E C -1.342 175.294 176.600 0.060 0.000 1.138 166 E CA 0.327 56.754 56.400 0.045 0.000 0.915 166 E CB 0.227 29.944 29.700 0.027 0.000 1.028 166 E HN 0.406 nan 8.360 nan 0.000 0.423 167 I N 3.675 124.314 120.570 0.114 0.000 2.753 167 I HA 0.110 4.281 4.170 0.001 0.000 0.291 167 I C -0.701 175.530 176.117 0.190 0.000 1.425 167 I CA -0.775 60.607 61.300 0.137 0.000 1.039 167 I CB 1.924 40.023 38.000 0.165 0.000 1.349 167 I HN 0.527 nan 8.210 nan 0.000 0.430 168 E N 5.162 125.386 120.200 0.040 0.000 2.191 168 E HA 0.423 4.774 4.350 0.001 0.000 0.278 168 E C 0.971 177.373 176.600 -0.331 0.000 0.972 168 E CA -0.813 55.523 56.400 -0.106 0.000 0.804 168 E CB 2.169 31.818 29.700 -0.086 0.000 1.110 168 E HN 0.623 nan 8.360 nan 0.000 0.394 169 R N 4.233 124.255 120.500 -0.797 0.000 2.165 169 R HA -0.315 4.025 4.340 0.001 0.000 0.254 169 R C 0.538 176.602 176.300 -0.394 0.000 1.153 169 R CA 2.465 57.999 56.100 -0.944 0.000 0.971 169 R CB -0.554 29.179 30.300 -0.945 0.000 0.878 169 R HN 0.724 nan 8.270 nan 0.000 0.449 170 N N 0.039 118.587 118.700 -0.253 0.000 2.409 170 N HA -0.055 4.685 4.740 0.001 0.000 0.179 170 N C 1.635 177.081 175.510 -0.107 0.000 1.032 170 N CA 0.911 53.877 53.050 -0.140 0.000 0.898 170 N CB 0.063 38.492 38.487 -0.097 0.000 0.971 170 N HN 0.392 nan 8.380 nan 0.000 0.441 171 A N 1.353 124.107 122.820 -0.110 0.000 1.930 171 A HA -0.015 4.306 4.320 0.001 0.000 0.215 171 A C 2.216 179.752 177.584 -0.081 0.000 1.176 171 A CA 0.501 52.494 52.037 -0.073 0.000 0.632 171 A CB -0.374 18.597 19.000 -0.049 0.000 0.819 171 A HN 0.197 nan 8.150 nan 0.000 0.445 172 L N -0.955 120.211 121.223 -0.095 0.000 2.072 172 L HA -0.023 4.317 4.340 0.001 0.000 0.205 172 L C 2.098 178.841 176.870 -0.212 0.000 1.079 172 L CA 1.413 56.191 54.840 -0.103 0.000 0.752 172 L CB -0.396 41.660 42.059 -0.006 0.000 0.906 172 L HN 0.228 nan 8.230 nan 0.000 0.436 173 L N -0.029 121.064 121.223 -0.217 0.000 2.042 173 L HA -0.201 4.139 4.340 0.001 0.000 0.210 173 L C 2.818 179.565 176.870 -0.204 0.000 1.076 173 L CA 1.910 56.580 54.840 -0.282 0.000 0.749 173 L CB -0.807 41.205 42.059 -0.078 0.000 0.893 173 L HN 0.338 nan 8.230 nan 0.000 0.432 174 R N -0.968 119.473 120.500 -0.099 0.000 2.073 174 R HA -0.070 4.271 4.340 0.001 0.000 0.229 174 R C 2.372 178.643 176.300 -0.048 0.000 1.120 174 R CA 0.744 56.822 56.100 -0.037 0.000 0.967 174 R CB -0.018 30.268 30.300 -0.022 0.000 0.862 174 R HN 0.238 nan 8.270 nan 0.000 0.436 175 R N 0.515 120.965 120.500 -0.083 0.000 2.127 175 R HA -0.131 4.210 4.340 0.001 0.000 0.238 175 R C 2.295 178.545 176.300 -0.083 0.000 1.134 175 R CA 1.073 57.128 56.100 -0.076 0.000 0.975 175 R CB -0.439 29.807 30.300 -0.091 0.000 0.865 175 R HN 0.332 nan 8.270 nan 0.000 0.447 176 L N 0.129 121.246 121.223 -0.176 0.000 2.027 176 L HA -0.127 4.214 4.340 0.001 0.000 0.206 176 L C 2.497 179.415 176.870 0.079 0.000 1.074 176 L CA 0.919 55.654 54.840 -0.174 0.000 0.745 176 L CB -0.549 41.125 42.059 -0.642 0.000 0.898 176 L HN -0.061 nan 8.230 nan 0.000 0.433 177 V N -0.139 119.823 119.914 0.081 0.000 2.469 177 V HA -0.296 3.825 4.120 0.001 0.000 0.251 177 V C 1.909 178.087 176.094 0.140 0.000 1.064 177 V CA 1.801 64.225 62.300 0.206 0.000 1.066 177 V CB -0.569 31.383 31.823 0.215 0.000 0.667 177 V HN 0.428 nan 8.190 nan 0.000 0.461 178 D N -0.742 119.710 120.400 0.087 0.000 2.310 178 D HA 0.007 4.647 4.640 0.001 0.000 0.212 178 D C 1.570 177.907 176.300 0.061 0.000 0.965 178 D CA 0.961 55.003 54.000 0.069 0.000 0.879 178 D CB 0.151 40.973 40.800 0.036 0.000 0.921 178 D HN 0.384 nan 8.370 nan 0.000 0.510 179 I N -0.174 120.442 120.570 0.075 0.000 3.974 179 I HA 0.022 4.193 4.170 0.001 0.000 0.334 179 I C -0.125 176.011 176.117 0.031 0.000 1.437 179 I CA 0.199 61.541 61.300 0.069 0.000 1.113 179 I CB 0.187 38.243 38.000 0.094 0.000 1.063 179 I HN -0.136 nan 8.210 nan 0.000 0.400 180 Q N -0.251 119.558 119.800 0.015 0.000 2.504 180 Q HA -0.229 4.111 4.340 0.001 0.000 0.274 180 Q C -0.938 174.973 176.000 -0.148 0.000 1.103 180 Q CA 0.574 56.306 55.803 -0.118 0.000 0.962 180 Q CB -1.424 27.113 28.738 -0.335 0.000 1.322 180 Q HN 0.451 nan 8.270 nan 0.000 0.500 181 Y N 0.216 120.568 120.300 0.086 0.000 2.307 181 Y HA 0.334 4.885 4.550 0.001 0.000 0.324 181 Y C 0.751 176.834 175.900 0.304 0.000 1.238 181 Y CA -0.496 57.728 58.100 0.206 0.000 1.280 181 Y CB 0.886 39.550 38.460 0.341 0.000 1.248 181 Y HN -0.027 nan 8.280 nan 0.000 0.508 182 D N 1.445 122.030 120.400 0.308 0.000 2.185 182 D HA 0.292 4.932 4.640 0.001 0.000 0.247 182 D C -0.620 175.517 176.300 -0.272 0.000 1.027 182 D CA -0.847 53.209 54.000 0.094 0.000 0.861 182 D CB 1.151 41.975 40.800 0.040 0.000 1.202 182 D HN 0.437 nan 8.370 nan 0.000 0.453 183 R N 1.159 121.341 120.500 -0.529 0.000 2.267 183 R HA 0.493 4.834 4.340 0.001 0.000 0.319 183 R C -0.428 175.694 176.300 -0.296 0.000 1.067 183 R CA -0.606 54.993 56.100 -0.835 0.000 0.936 183 R CB 0.154 30.027 30.300 -0.712 0.000 1.006 183 R HN 0.081 nan 8.270 nan 0.000 0.452 184 N N 2.107 120.702 118.700 -0.174 0.000 2.675 184 N HA 0.081 4.821 4.740 0.001 0.000 0.254 184 N C -0.596 174.953 175.510 0.065 0.000 1.224 184 N CA -0.333 52.712 53.050 -0.009 0.000 0.777 184 N CB 1.041 39.556 38.487 0.046 0.000 1.256 184 N HN 0.561 nan 8.380 nan 0.000 0.531 185 D N 1.618 122.014 120.400 -0.007 0.000 2.149 185 D HA -0.052 4.588 4.640 0.001 0.000 0.201 185 D C 1.408 177.719 176.300 0.019 0.000 0.972 185 D CA 0.998 54.988 54.000 -0.018 0.000 0.835 185 D CB 0.824 41.601 40.800 -0.038 0.000 0.966 185 D HN 0.466 nan 8.370 nan 0.000 0.476 186 I N 1.281 121.870 120.570 0.032 0.000 2.104 186 I HA -0.193 3.977 4.170 0.001 0.000 0.218 186 I C 0.693 176.861 176.117 0.084 0.000 1.048 186 I CA 1.188 62.514 61.300 0.043 0.000 1.344 186 I CB -0.320 37.698 38.000 0.029 0.000 1.116 186 I HN -0.273 nan 8.210 nan 0.000 0.392 187 D N 0.403 120.856 120.400 0.089 0.000 2.500 187 D HA 0.182 4.822 4.640 0.001 0.000 0.219 187 D C -0.893 175.503 176.300 0.160 0.000 1.137 187 D CA -0.217 53.848 54.000 0.109 0.000 0.946 187 D CB -0.125 40.710 40.800 0.058 0.000 1.022 187 D HN 0.039 nan 8.370 nan 0.000 0.518 188 F N 4.323 124.310 119.950 0.061 0.000 2.466 188 F HA 0.253 4.780 4.527 0.001 0.000 0.363 188 F C 0.487 176.390 175.800 0.171 0.000 1.109 188 F CA -0.329 57.745 58.000 0.124 0.000 1.161 188 F CB -0.021 39.073 39.000 0.155 0.000 1.117 188 F HN 0.227 nan 8.300 nan 0.000 0.539 189 R N 4.899 125.163 120.500 -0.393 0.000 2.831 189 R HA 0.485 4.826 4.340 0.001 0.000 0.266 189 R C -0.737 174.897 176.300 -1.110 0.000 1.051 189 R CA -1.329 54.348 56.100 -0.705 0.000 0.943 189 R CB 0.781 30.861 30.300 -0.367 0.000 1.228 189 R HN 0.597 nan 8.270 nan 0.000 0.467 190 R N 0.083 119.696 120.500 -1.478 0.000 2.466 190 R HA -0.064 4.276 4.340 0.001 0.000 0.280 190 R C 0.427 176.469 176.300 -0.431 0.000 0.926 190 R CA 2.468 57.955 56.100 -1.022 0.000 1.127 190 R CB -0.356 29.576 30.300 -0.612 0.000 0.871 190 R HN 0.994 nan 8.270 nan 0.000 0.421 191 G N 2.576 111.282 108.800 -0.156 0.000 2.136 191 G HA2 -0.242 3.718 3.960 0.001 0.000 0.242 191 G HA3 -0.242 3.718 3.960 0.001 0.000 0.242 191 G C -0.089 174.915 174.900 0.175 0.000 0.989 191 G CA 0.376 45.433 45.100 -0.072 0.000 0.682 191 G HN 0.670 nan 8.290 nan 0.000 0.522 192 T N 0.225 114.911 114.554 0.220 0.000 2.912 192 T HA 0.703 5.053 4.350 0.001 0.000 0.288 192 T C -0.553 174.479 174.700 0.553 0.000 1.030 192 T CA -0.011 62.248 62.100 0.265 0.000 1.020 192 T CB 1.508 70.397 68.868 0.035 0.000 1.056 192 T HN 0.981 nan 8.240 nan 0.000 0.480 193 F N 0.854 121.056 119.950 0.421 0.000 2.556 193 F HA 0.805 5.332 4.527 0.001 0.000 0.314 193 F C -0.435 175.535 175.800 0.284 0.000 1.106 193 F CA -1.438 56.789 58.000 0.378 0.000 0.911 193 F CB 1.274 40.363 39.000 0.149 0.000 1.190 193 F HN 0.516 nan 8.300 nan 0.000 0.448 194 R N 3.208 123.830 120.500 0.204 0.000 2.494 194 R HA 0.777 5.117 4.340 0.001 0.000 0.305 194 R C -2.149 174.159 176.300 0.013 0.000 0.959 194 R CA -1.076 54.988 56.100 -0.059 0.000 0.864 194 R CB 2.033 32.115 30.300 -0.364 0.000 1.159 194 R HN 0.773 nan 8.270 nan 0.000 0.446 195 V N 4.154 124.086 119.914 0.030 0.000 2.328 195 V HA 0.451 4.571 4.120 0.001 0.000 0.278 195 V C -0.808 175.282 176.094 -0.008 0.000 1.021 195 V CA -0.764 61.568 62.300 0.052 0.000 0.838 195 V CB 0.886 32.773 31.823 0.107 0.000 0.999 195 V HN 0.869 nan 8.190 nan 0.000 0.447 196 R N 5.456 125.945 120.500 -0.020 0.000 2.363 196 R HA 0.619 4.960 4.340 0.001 0.000 0.297 196 R C 0.793 177.077 176.300 -0.026 0.000 1.208 196 R CA 0.691 56.770 56.100 -0.033 0.000 1.121 196 R CB 0.800 31.068 30.300 -0.053 0.000 1.124 196 R HN 1.209 nan 8.270 nan 0.000 0.561 197 G N 2.623 111.406 108.800 -0.029 0.000 2.622 197 G HA2 -0.376 3.584 3.960 0.001 0.000 0.307 197 G HA3 -0.376 3.584 3.960 0.001 0.000 0.307 197 G C 0.410 175.289 174.900 -0.036 0.000 1.226 197 G CA 0.476 45.553 45.100 -0.038 0.000 0.997 197 G HN 0.614 nan 8.290 nan 0.000 0.551 198 D N 0.235 120.615 120.400 -0.034 0.000 2.340 198 D HA 0.230 4.870 4.640 0.001 0.000 0.220 198 D C 0.844 177.206 176.300 0.104 0.000 1.039 198 D CA 0.579 54.581 54.000 0.003 0.000 0.866 198 D CB 0.501 41.272 40.800 -0.048 0.000 0.913 198 D HN 0.209 nan 8.370 nan 0.000 0.523 199 V N 1.259 121.206 119.914 0.055 0.000 2.481 199 V HA 0.246 4.367 4.120 0.001 0.000 0.286 199 V C -0.319 175.823 176.094 0.081 0.000 1.042 199 V CA -0.344 61.998 62.300 0.069 0.000 0.928 199 V CB 1.892 33.721 31.823 0.010 0.000 0.986 199 V HN -0.243 nan 8.190 nan 0.000 0.462 200 V N 5.629 125.615 119.914 0.120 0.000 2.604 200 V HA 0.559 4.679 4.120 0.001 0.000 0.305 200 V C -0.451 175.681 176.094 0.063 0.000 1.043 200 V CA -0.769 61.599 62.300 0.114 0.000 0.888 200 V CB 1.923 33.857 31.823 0.185 0.000 0.995 200 V HN 0.906 nan 8.190 nan 0.000 0.429 201 E N 3.736 123.966 120.200 0.050 0.000 2.185 201 E HA 0.589 4.940 4.350 0.001 0.000 0.261 201 E C -1.303 175.441 176.600 0.239 0.000 0.879 201 E CA -0.395 56.025 56.400 0.032 0.000 0.756 201 E CB 2.028 31.608 29.700 -0.200 0.000 1.152 201 E HN 0.581 nan 8.360 nan 0.000 0.416 202 I N 3.342 124.043 120.570 0.218 0.000 2.354 202 I HA 0.298 4.468 4.170 0.001 0.000 0.292 202 I C -0.593 175.710 176.117 0.309 0.000 0.989 202 I CA -0.594 60.850 61.300 0.239 0.000 1.188 202 I CB 1.070 39.060 38.000 -0.016 0.000 1.342 202 I HN 0.475 nan 8.210 nan 0.000 0.457 203 F N 7.929 128.024 119.950 0.242 0.000 2.291 203 F HA 0.410 4.938 4.527 0.001 0.000 0.368 203 F C -2.085 173.816 175.800 0.168 0.000 1.085 203 F CA -2.459 55.603 58.000 0.102 0.000 1.165 203 F CB 1.000 39.833 39.000 -0.279 0.000 1.429 203 F HN 0.231 nan 8.300 nan 0.000 0.503 204 P HA -0.097 nan 4.420 nan 0.000 0.265 204 P C 0.132 177.630 177.300 0.329 0.000 1.187 204 P CA 0.434 63.779 63.100 0.409 0.000 0.766 204 P CB 0.921 32.800 31.700 0.298 0.000 0.820 205 A N 2.841 125.794 122.820 0.222 0.000 2.076 205 A HA -0.166 4.154 4.320 0.001 0.000 0.220 205 A C 1.911 179.509 177.584 0.022 0.000 1.160 205 A CA 2.032 53.997 52.037 -0.120 0.000 0.653 205 A CB -1.310 17.315 19.000 -0.624 0.000 0.801 205 A HN 0.597 nan 8.150 nan 0.000 0.455 206 S N -1.041 114.760 115.700 0.168 0.000 2.558 206 S HA 0.163 4.633 4.470 0.001 0.000 0.217 206 S C 0.770 175.487 174.600 0.195 0.000 0.975 206 S CA -0.398 57.925 58.200 0.206 0.000 0.912 206 S CB 0.095 63.420 63.200 0.209 0.000 0.776 206 S HN 0.432 nan 8.310 nan 0.000 0.526 207 R N 0.785 121.419 120.500 0.223 0.000 2.732 207 R HA 0.482 4.822 4.340 0.001 0.000 0.278 207 R C -0.146 176.327 176.300 0.288 0.000 0.976 207 R CA -0.639 55.636 56.100 0.292 0.000 0.963 207 R CB 1.043 31.570 30.300 0.377 0.000 1.150 207 R HN 0.103 nan 8.270 nan 0.000 0.478 208 D N 0.809 121.391 120.400 0.302 0.000 2.652 208 D HA -0.025 4.615 4.640 0.001 0.000 0.261 208 D C 0.935 177.440 176.300 0.342 0.000 1.024 208 D CA 1.025 55.160 54.000 0.224 0.000 0.958 208 D CB 0.902 41.795 40.800 0.155 0.000 1.113 208 D HN 0.567 nan 8.370 nan 0.000 0.471 209 E N -0.325 120.015 120.200 0.235 0.000 2.279 209 E HA 0.030 4.380 4.350 0.001 0.000 0.199 209 E C 0.411 176.925 176.600 -0.143 0.000 0.893 209 E CA 0.032 56.438 56.400 0.011 0.000 0.978 209 E CB -0.146 29.398 29.700 -0.261 0.000 0.964 209 E HN 0.376 nan 8.360 nan 0.000 0.486 210 H N 2.713 121.808 119.070 0.040 0.000 3.015 210 H HA 0.238 4.794 4.556 0.001 0.000 0.268 210 H C 0.639 175.902 175.328 -0.108 0.000 1.113 210 H CA -0.387 55.643 56.048 -0.031 0.000 1.479 210 H CB 0.031 29.805 29.762 0.020 0.000 1.493 210 H HN 0.216 nan 8.280 nan 0.000 0.486 211 C N 3.038 122.229 119.300 -0.182 0.000 2.325 211 C HA 0.693 5.154 4.460 0.001 0.000 0.370 211 C C 0.486 175.448 174.990 -0.046 0.000 1.217 211 C CA -0.934 57.944 59.018 -0.233 0.000 2.254 211 C CB -0.064 27.357 27.740 -0.531 0.000 2.282 211 C HN 0.647 nan 8.230 nan 0.000 0.564 212 I N 1.304 121.873 120.570 -0.000 0.000 2.460 212 I HA 0.559 4.729 4.170 0.001 0.000 0.298 212 I C 0.407 176.524 176.117 -0.001 0.000 0.989 212 I CA -0.138 61.163 61.300 0.001 0.000 1.173 212 I CB 1.086 39.083 38.000 -0.004 0.000 1.338 212 I HN 0.742 nan 8.210 nan 0.000 0.456 213 R N 4.795 125.283 120.500 -0.019 0.000 2.439 213 R HA 0.717 5.058 4.340 0.001 0.000 0.310 213 R C -1.766 174.510 176.300 -0.039 0.000 0.955 213 R CA -0.591 55.495 56.100 -0.023 0.000 0.853 213 R CB 1.868 32.152 30.300 -0.027 0.000 1.171 213 R HN 0.466 nan 8.270 nan 0.000 0.449 214 V N 4.080 123.973 119.914 -0.034 0.000 2.555 214 V HA 0.414 4.534 4.120 0.001 0.000 0.302 214 V C -0.929 175.117 176.094 -0.080 0.000 1.038 214 V CA -0.464 61.777 62.300 -0.099 0.000 0.887 214 V CB 1.990 33.734 31.823 -0.131 0.000 0.991 214 V HN 0.812 nan 8.190 nan 0.000 0.434 215 E N 5.372 125.471 120.200 -0.168 0.000 2.176 215 E HA 0.469 4.819 4.350 0.001 0.000 0.267 215 E C -1.640 174.854 176.600 -0.178 0.000 0.893 215 E CA -0.314 56.045 56.400 -0.069 0.000 0.761 215 E CB 2.221 31.922 29.700 0.001 0.000 1.133 215 E HN 0.579 nan 8.360 nan 0.000 0.409 216 F N 1.673 121.630 119.950 0.012 0.000 2.458 216 F HA 0.443 4.970 4.527 0.000 0.000 0.330 216 F C -0.225 175.591 175.800 0.026 0.000 1.082 216 F CA -0.692 57.326 58.000 0.030 0.000 0.995 216 F CB 1.015 40.007 39.000 -0.013 0.000 1.170 216 F HN 0.407 nan 8.300 nan 0.000 0.478 217 F N 2.163 122.205 119.950 0.152 0.000 2.552 217 F HA 0.508 5.035 4.527 0.000 0.000 0.369 217 F C 0.618 176.475 175.800 0.094 0.000 1.112 217 F CA -0.093 57.959 58.000 0.087 0.000 1.129 217 F CB 0.688 39.709 39.000 0.035 0.000 1.360 217 F HN 0.708 nan 8.300 nan 0.000 0.473 218 G N 3.127 112.019 108.800 0.154 0.000 2.559 218 G HA2 -0.298 3.662 3.960 0.001 0.000 0.282 218 G HA3 -0.298 3.662 3.960 0.001 0.000 0.282 218 G C 0.171 175.153 174.900 0.137 0.000 1.177 218 G CA 0.319 45.488 45.100 0.116 0.000 0.960 218 G HN 0.414 nan 8.290 nan 0.000 0.540 219 D N 2.800 123.284 120.400 0.141 0.000 2.755 219 D HA 0.318 4.959 4.640 0.001 0.000 0.257 219 D C 0.703 177.127 176.300 0.207 0.000 1.291 219 D CA 0.760 54.848 54.000 0.147 0.000 0.836 219 D CB 0.267 41.108 40.800 0.070 0.000 1.059 219 D HN 0.731 nan 8.370 nan 0.000 0.486 220 E N -0.491 119.870 120.200 0.268 0.000 2.429 220 E HA 0.341 4.691 4.350 0.001 0.000 0.276 220 E C -0.973 175.653 176.600 0.044 0.000 0.953 220 E CA -0.846 55.653 56.400 0.164 0.000 0.787 220 E CB 1.506 31.256 29.700 0.083 0.000 1.307 220 E HN -0.138 nan 8.360 nan 0.000 0.458 221 I N 2.502 122.991 120.570 -0.137 0.000 2.322 221 I HA 0.047 4.218 4.170 0.001 0.000 0.292 221 I C 1.489 177.501 176.117 -0.174 0.000 1.060 221 I CA 0.050 61.135 61.300 -0.358 0.000 1.309 221 I CB 0.863 38.655 38.000 -0.348 0.000 1.415 221 I HN 0.583 nan 8.210 nan 0.000 0.492 222 E N 6.156 126.279 120.200 -0.128 0.000 2.024 222 E HA 0.143 4.494 4.350 0.001 0.000 0.190 222 E C 0.421 176.983 176.600 -0.064 0.000 0.974 222 E CA 0.860 57.242 56.400 -0.031 0.000 0.810 222 E CB 0.512 30.299 29.700 0.144 0.000 0.775 222 E HN 0.495 nan 8.360 nan 0.000 0.453 223 R N -0.033 120.423 120.500 -0.073 0.000 2.686 223 R HA 0.531 4.871 4.340 0.001 0.000 0.283 223 R C -0.897 175.346 176.300 -0.094 0.000 0.978 223 R CA -0.490 55.571 56.100 -0.065 0.000 0.897 223 R CB 1.904 32.191 30.300 -0.022 0.000 1.192 223 R HN 0.002 nan 8.270 nan 0.000 0.457 224 I N 3.191 123.713 120.570 -0.079 0.000 2.468 224 I HA 0.468 4.639 4.170 0.001 0.000 0.284 224 I C -0.317 175.772 176.117 -0.047 0.000 1.038 224 I CA -0.777 60.476 61.300 -0.078 0.000 1.083 224 I CB 1.483 39.422 38.000 -0.101 0.000 1.223 224 I HN 0.433 nan 8.210 nan 0.000 0.443 225 R N 3.972 124.451 120.500 -0.035 0.000 2.837 225 R HA 0.625 4.966 4.340 0.001 0.000 0.271 225 R C -1.100 175.196 176.300 -0.008 0.000 0.993 225 R CA -1.026 55.064 56.100 -0.017 0.000 0.931 225 R CB 1.884 32.179 30.300 -0.010 0.000 1.206 225 R HN 0.395 nan 8.270 nan 0.000 0.474 226 E N 1.355 121.560 120.200 0.008 0.000 2.259 226 E HA 0.337 4.687 4.350 0.001 0.000 0.281 226 E C -0.582 176.039 176.600 0.035 0.000 1.027 226 E CA -0.535 55.882 56.400 0.029 0.000 0.838 226 E CB 2.058 31.785 29.700 0.045 0.000 1.066 226 E HN 0.181 nan 8.360 nan 0.000 0.401 227 V N 2.081 122.008 119.914 0.022 0.000 3.001 227 V HA 0.142 4.262 4.120 0.001 0.000 0.314 227 V C -0.217 175.865 176.094 -0.020 0.000 1.099 227 V CA -0.950 61.351 62.300 0.002 0.000 0.989 227 V CB 2.368 34.176 31.823 -0.024 0.000 1.040 227 V HN 0.635 nan 8.190 nan 0.000 0.434 228 D N 1.747 122.129 120.400 -0.030 0.000 2.295 228 D HA 0.330 4.971 4.640 0.001 0.000 0.248 228 D C 0.948 177.216 176.300 -0.053 0.000 1.154 228 D CA 0.273 54.232 54.000 -0.069 0.000 0.857 228 D CB 2.060 42.830 40.800 -0.050 0.000 1.117 228 D HN 0.659 nan 8.370 nan 0.000 0.468 229 A N 4.192 126.962 122.820 -0.083 0.000 2.084 229 A HA -0.170 4.150 4.320 0.001 0.000 0.221 229 A C 1.967 179.614 177.584 0.104 0.000 1.161 229 A CA 1.252 53.297 52.037 0.014 0.000 0.653 229 A CB -0.153 18.825 19.000 -0.037 0.000 0.802 229 A HN 0.692 nan 8.150 nan 0.000 0.457 230 L N -1.699 119.561 121.223 0.061 0.000 2.187 230 L HA -0.004 4.336 4.340 0.001 0.000 0.197 230 L C 2.745 179.634 176.870 0.032 0.000 1.090 230 L CA 1.349 56.227 54.840 0.063 0.000 0.781 230 L CB -1.172 40.919 42.059 0.052 0.000 0.956 230 L HN 0.283 nan 8.230 nan 0.000 0.463 231 T N -0.448 114.114 114.554 0.013 0.000 2.542 231 T HA 0.020 4.371 4.350 0.001 0.000 0.257 231 T C 1.382 176.082 174.700 -0.000 0.000 1.111 231 T CA 1.383 63.487 62.100 0.006 0.000 1.203 231 T CB -0.732 68.137 68.868 0.002 0.000 0.866 231 T HN 0.554 nan 8.240 nan 0.000 0.399 232 G N 0.420 109.216 108.800 -0.006 0.000 2.276 232 G HA2 -0.111 3.849 3.960 0.001 0.000 0.177 232 G HA3 -0.111 3.849 3.960 0.001 0.000 0.177 232 G C -0.252 174.645 174.900 -0.007 0.000 1.017 232 G CA -0.413 44.679 45.100 -0.013 0.000 0.750 232 G HN 0.467 nan 8.290 nan 0.000 0.506 233 E N 1.721 121.920 120.200 -0.002 0.000 2.341 233 E HA 0.280 4.630 4.350 0.001 0.000 0.256 233 E C 1.028 177.635 176.600 0.012 0.000 1.125 233 E CA 0.037 56.441 56.400 0.006 0.000 0.939 233 E CB 0.798 30.503 29.700 0.009 0.000 0.991 233 E HN 0.374 nan 8.360 nan 0.000 0.458 234 V N 4.904 124.825 119.914 0.012 0.000 2.434 234 V HA -0.072 4.049 4.120 0.001 0.000 0.281 234 V C 1.160 177.270 176.094 0.027 0.000 1.005 234 V CA 0.311 62.620 62.300 0.015 0.000 1.089 234 V CB 0.024 31.853 31.823 0.010 0.000 0.978 234 V HN 0.643 nan 8.190 nan 0.000 0.474 235 L N 3.996 125.243 121.223 0.040 0.000 2.616 235 L HA 0.618 4.958 4.340 0.001 0.000 0.229 235 L C 1.139 178.032 176.870 0.039 0.000 1.110 235 L CA 1.062 55.935 54.840 0.056 0.000 0.884 235 L CB 0.171 42.297 42.059 0.111 0.000 1.115 235 L HN 1.003 nan 8.230 nan 0.000 0.481 236 G N -0.990 107.825 108.800 0.025 0.000 2.316 236 G HA2 0.305 4.265 3.960 0.001 0.000 0.296 236 G HA3 0.305 4.265 3.960 0.001 0.000 0.296 236 G C -1.823 173.081 174.900 0.007 0.000 1.399 236 G CA -0.650 44.459 45.100 0.015 0.000 0.833 236 G HN -0.163 nan 8.290 nan 0.000 0.565 237 E N -0.514 119.688 120.200 0.002 0.000 2.238 237 E HA 0.739 5.090 4.350 0.001 0.000 0.267 237 E C -0.383 176.214 176.600 -0.004 0.000 0.887 237 E CA -0.762 55.636 56.400 -0.005 0.000 0.769 237 E CB 1.851 31.547 29.700 -0.006 0.000 1.187 237 E HN 0.436 nan 8.360 nan 0.000 0.416 238 R N 2.077 122.570 120.500 -0.012 0.000 2.673 238 R HA 0.229 4.569 4.340 0.001 0.000 0.281 238 R C 0.037 176.331 176.300 -0.010 0.000 0.991 238 R CA -0.425 55.671 56.100 -0.006 0.000 0.896 238 R CB 1.444 31.740 30.300 -0.006 0.000 1.201 238 R HN 0.643 nan 8.270 nan 0.000 0.457 239 E N 0.559 120.767 120.200 0.013 0.000 2.021 239 E HA -0.081 4.269 4.350 0.001 0.000 0.189 239 E C 0.303 176.936 176.600 0.055 0.000 0.980 239 E CA 1.023 57.438 56.400 0.025 0.000 0.803 239 E CB 0.178 29.901 29.700 0.037 0.000 0.766 239 E HN 0.322 nan 8.360 nan 0.000 0.449 240 H N -0.058 118.995 119.070 -0.029 0.000 2.600 240 H HA 0.478 5.034 4.556 0.001 0.000 0.357 240 H C -1.694 173.620 175.328 -0.023 0.000 1.106 240 H CA -0.674 55.354 56.048 -0.033 0.000 1.193 240 H CB 1.723 31.467 29.762 -0.029 0.000 1.594 240 H HN 0.014 nan 8.280 nan 0.000 0.526 241 V N 4.088 123.594 119.914 -0.680 0.000 2.638 241 V HA 0.706 4.827 4.120 0.001 0.000 0.306 241 V C -1.046 174.670 176.094 -0.630 0.000 1.052 241 V CA -0.280 61.743 62.300 -0.461 0.000 0.885 241 V CB 1.355 33.054 31.823 -0.206 0.000 0.999 241 V HN 0.960 nan 8.190 nan 0.000 0.424 242 A N 7.818 130.437 122.820 -0.334 0.000 2.288 242 A HA 0.821 5.141 4.320 0.001 0.000 0.320 242 A C -0.789 176.680 177.584 -0.192 0.000 1.217 242 A CA -0.569 51.306 52.037 -0.270 0.000 0.840 242 A CB 0.596 19.522 19.000 -0.123 0.000 1.179 242 A HN 0.663 nan 8.150 nan 0.000 0.504 243 I N 2.904 123.303 120.570 -0.284 0.000 2.354 243 I HA 0.371 4.542 4.170 0.001 0.000 0.292 243 I C -0.663 175.298 176.117 -0.262 0.000 0.989 243 I CA -0.617 60.600 61.300 -0.138 0.000 1.188 243 I CB 0.567 38.460 38.000 -0.178 0.000 1.342 243 I HN 0.469 nan 8.210 nan 0.000 0.457 244 F N 6.466 126.411 119.950 -0.009 0.000 2.377 244 F HA 0.476 5.003 4.527 0.001 0.000 0.328 244 F C -1.752 174.043 175.800 -0.009 0.000 1.094 244 F CA -2.338 55.575 58.000 -0.144 0.000 1.093 244 F CB 0.094 38.965 39.000 -0.214 0.000 1.214 244 F HN 0.262 nan 8.300 nan 0.000 0.518 245 P HA 0.005 nan 4.420 nan 0.000 0.266 245 P C -0.299 176.989 177.300 -0.020 0.000 1.193 245 P CA 0.226 63.365 63.100 0.065 0.000 0.770 245 P CB 0.573 32.312 31.700 0.065 0.000 0.836 246 A N 1.224 123.850 122.820 -0.324 0.000 2.276 246 A HA 0.249 4.569 4.320 0.001 0.000 0.212 246 A C 0.753 178.132 177.584 -0.341 0.000 1.230 246 A CA 0.747 52.415 52.037 -0.615 0.000 0.844 246 A CB -0.561 17.866 19.000 -0.956 0.000 0.860 246 A HN 0.495 nan 8.150 nan 0.000 0.486 247 S N -1.978 113.685 115.700 -0.062 0.000 2.541 247 S HA 0.461 4.931 4.470 0.001 0.000 0.271 247 S C -0.216 174.411 174.600 0.045 0.000 1.133 247 S CA -0.559 57.669 58.200 0.047 0.000 0.876 247 S CB 0.608 63.829 63.200 0.034 0.000 1.105 247 S HN 0.390 nan 8.310 nan 0.000 0.470 248 H N 2.178 121.297 119.070 0.082 0.000 2.536 248 H HA 0.344 4.901 4.556 0.001 0.000 0.276 248 H C -0.313 174.747 175.328 -0.447 0.000 1.019 248 H CA 0.556 56.463 56.048 -0.236 0.000 1.159 248 H CB -0.099 29.338 29.762 -0.541 0.000 1.373 248 H HN 0.534 nan 8.280 nan 0.000 0.584 249 F N -0.191 119.904 119.950 0.240 0.000 2.775 249 F HA 0.139 4.667 4.527 0.001 0.000 0.313 249 F C 0.297 176.199 175.800 0.170 0.000 1.121 249 F CA -0.784 57.342 58.000 0.211 0.000 1.206 249 F CB 0.434 39.558 39.000 0.207 0.000 1.052 249 F HN -0.107 nan 8.300 nan 0.000 0.524 250 V N -0.444 119.623 119.914 0.254 0.000 2.673 250 V HA 0.349 4.469 4.120 0.001 0.000 0.303 250 V C 0.186 176.383 176.094 0.172 0.000 1.046 250 V CA 0.057 62.463 62.300 0.176 0.000 1.126 250 V CB 0.445 32.335 31.823 0.112 0.000 0.934 250 V HN 0.228 nan 8.190 nan 0.000 0.487 251 T N 4.535 119.180 114.554 0.152 0.000 2.881 251 T HA 0.516 4.866 4.350 0.001 0.000 0.290 251 T C -0.082 174.674 174.700 0.093 0.000 1.000 251 T CA -0.769 61.407 62.100 0.128 0.000 0.978 251 T CB 1.324 70.280 68.868 0.148 0.000 0.997 251 T HN 0.808 nan 8.240 nan 0.000 0.443 252 R N 1.658 122.198 120.500 0.067 0.000 2.640 252 R HA 0.039 4.379 4.340 0.001 0.000 0.270 252 R C 1.719 178.048 176.300 0.049 0.000 1.024 252 R CA -0.135 55.992 56.100 0.046 0.000 1.085 252 R CB 0.458 30.776 30.300 0.030 0.000 0.963 252 R HN 0.822 nan 8.270 nan 0.000 0.426 253 E N 2.253 122.478 120.200 0.041 0.000 2.086 253 E HA -0.351 4.000 4.350 0.001 0.000 0.205 253 E C 0.962 177.580 176.600 0.029 0.000 1.027 253 E CA 1.667 58.088 56.400 0.036 0.000 0.830 253 E CB 0.191 29.908 29.700 0.028 0.000 0.751 253 E HN 0.500 nan 8.360 nan 0.000 0.456 254 E N 0.501 120.716 120.200 0.025 0.000 2.118 254 E HA -0.174 4.176 4.350 0.001 0.000 0.195 254 E C 2.010 178.627 176.600 0.029 0.000 0.992 254 E CA 1.103 57.516 56.400 0.022 0.000 0.804 254 E CB -0.134 29.577 29.700 0.018 0.000 0.741 254 E HN 0.372 nan 8.360 nan 0.000 0.458 255 K N -0.007 120.417 120.400 0.039 0.000 2.103 255 K HA -0.066 4.254 4.320 0.001 0.000 0.204 255 K C 2.164 178.795 176.600 0.052 0.000 1.052 255 K CA 1.059 57.377 56.287 0.052 0.000 0.945 255 K CB -0.178 32.361 32.500 0.067 0.000 0.722 255 K HN 0.030 nan 8.250 nan 0.000 0.443 256 M N 1.519 121.148 119.600 0.049 0.000 2.117 256 M HA -0.145 4.336 4.480 0.001 0.000 0.262 256 M C 1.744 178.051 176.300 0.013 0.000 1.065 256 M CA 1.694 57.018 55.300 0.039 0.000 1.114 256 M CB -0.013 32.613 32.600 0.043 0.000 1.361 256 M HN -0.074 nan 8.290 nan 0.000 0.408 257 R N -0.583 119.924 120.500 0.011 0.000 2.189 257 R HA -0.068 4.272 4.340 0.001 0.000 0.223 257 R C 2.037 178.336 176.300 -0.003 0.000 1.092 257 R CA 1.286 57.384 56.100 -0.003 0.000 0.989 257 R CB -0.659 29.640 30.300 -0.001 0.000 0.876 257 R HN 0.390 nan 8.270 nan 0.000 0.457 258 L N 0.375 121.605 121.223 0.012 0.000 2.102 258 L HA 0.143 4.484 4.340 0.001 0.000 0.202 258 L C 2.265 179.141 176.870 0.010 0.000 1.076 258 L CA 1.579 56.428 54.840 0.015 0.000 0.761 258 L CB -0.653 41.424 42.059 0.029 0.000 0.921 258 L HN 0.071 nan 8.230 nan 0.000 0.444 259 A N 0.358 123.194 122.820 0.025 0.000 1.903 259 A HA -0.290 4.030 4.320 0.001 0.000 0.219 259 A C 2.306 179.840 177.584 -0.083 0.000 1.191 259 A CA 2.577 54.624 52.037 0.016 0.000 0.638 259 A CB -1.192 17.843 19.000 0.059 0.000 0.823 259 A HN 0.548 nan 8.150 nan 0.000 0.451 260 I N -0.712 119.812 120.570 -0.077 0.000 2.194 260 I HA -0.371 3.799 4.170 0.001 0.000 0.246 260 I C 2.805 178.855 176.117 -0.111 0.000 1.093 260 I CA 1.982 63.213 61.300 -0.115 0.000 1.355 260 I CB -0.447 37.499 38.000 -0.089 0.000 1.046 260 I HN 0.507 nan 8.210 nan 0.000 0.413 261 Q N 0.167 119.924 119.800 -0.072 0.000 2.119 261 Q HA -0.157 4.183 4.340 0.001 0.000 0.201 261 Q C 2.000 177.955 176.000 -0.075 0.000 0.972 261 Q CA 1.193 56.961 55.803 -0.059 0.000 0.847 261 Q CB -0.129 28.591 28.738 -0.030 0.000 0.903 261 Q HN 0.492 nan 8.270 nan 0.000 0.433 262 N N 0.882 119.528 118.700 -0.090 0.000 2.084 262 N HA -0.130 4.611 4.740 0.001 0.000 0.190 262 N C 1.785 177.137 175.510 -0.262 0.000 1.030 262 N CA 1.141 54.128 53.050 -0.104 0.000 0.849 262 N CB -0.200 38.286 38.487 -0.003 0.000 1.012 262 N HN 0.251 nan 8.380 nan 0.000 0.423 263 I N 1.216 121.496 120.570 -0.484 0.000 2.208 263 I HA -0.254 3.916 4.170 0.001 0.000 0.245 263 I C 2.312 178.335 176.117 -0.157 0.000 1.097 263 I CA 1.167 62.202 61.300 -0.441 0.000 1.363 263 I CB -0.218 37.575 38.000 -0.345 0.000 1.051 263 I HN 0.174 nan 8.210 nan 0.000 0.413 264 E N 0.353 120.475 120.200 -0.131 0.000 2.085 264 E HA -0.319 4.031 4.350 0.001 0.000 0.194 264 E C 2.107 178.684 176.600 -0.039 0.000 0.994 264 E CA 1.458 57.816 56.400 -0.070 0.000 0.801 264 E CB 0.023 29.684 29.700 -0.066 0.000 0.743 264 E HN 0.289 nan 8.360 nan 0.000 0.453 265 Q N 0.861 120.640 119.800 -0.035 0.000 2.079 265 Q HA -0.205 4.136 4.340 0.001 0.000 0.200 265 Q C 1.839 177.849 176.000 0.017 0.000 0.974 265 Q CA 2.033 57.833 55.803 -0.004 0.000 0.840 265 Q CB -0.151 28.592 28.738 0.007 0.000 0.898 265 Q HN 0.354 nan 8.270 nan 0.000 0.430 266 E N -0.649 119.570 120.200 0.032 0.000 2.085 266 E HA -0.222 4.128 4.350 0.001 0.000 0.194 266 E C 1.862 178.493 176.600 0.051 0.000 0.994 266 E CA 1.273 57.718 56.400 0.076 0.000 0.801 266 E CB -0.262 29.547 29.700 0.181 0.000 0.743 266 E HN 0.406 nan 8.360 nan 0.000 0.453 267 L N 1.592 122.835 121.223 0.032 0.000 2.042 267 L HA -0.183 4.157 4.340 0.001 0.000 0.210 267 L C 2.288 179.164 176.870 0.009 0.000 1.076 267 L CA 2.187 57.041 54.840 0.024 0.000 0.749 267 L CB -0.488 41.580 42.059 0.015 0.000 0.893 267 L HN 0.216 nan 8.230 nan 0.000 0.432 268 E N -0.606 119.596 120.200 0.003 0.000 2.072 268 E HA -0.247 4.103 4.350 0.001 0.000 0.191 268 E C 1.977 178.579 176.600 0.003 0.000 0.985 268 E CA 1.399 57.798 56.400 -0.001 0.000 0.801 268 E CB -0.029 29.669 29.700 -0.004 0.000 0.750 268 E HN 0.665 nan 8.360 nan 0.000 0.452 269 E N 0.024 120.230 120.200 0.011 0.000 2.106 269 E HA -0.208 4.142 4.350 0.001 0.000 0.192 269 E C 2.151 178.755 176.600 0.006 0.000 0.984 269 E CA 1.086 57.492 56.400 0.010 0.000 0.806 269 E CB -0.065 29.645 29.700 0.018 0.000 0.750 269 E HN 0.077 nan 8.360 nan 0.000 0.458 270 R N 0.829 121.335 120.500 0.010 0.000 2.148 270 R HA -0.039 4.301 4.340 0.001 0.000 0.223 270 R C 1.950 178.243 176.300 -0.012 0.000 1.088 270 R CA 0.746 56.847 56.100 0.002 0.000 0.985 270 R CB -0.106 30.200 30.300 0.009 0.000 0.880 270 R HN 0.130 nan 8.270 nan 0.000 0.451 271 L N 0.145 121.360 121.223 -0.013 0.000 2.056 271 L HA -0.014 4.326 4.340 0.001 0.000 0.207 271 L C 2.631 179.489 176.870 -0.021 0.000 1.078 271 L CA 1.204 56.031 54.840 -0.022 0.000 0.749 271 L CB -0.641 41.405 42.059 -0.021 0.000 0.901 271 L HN 0.364 nan 8.230 nan 0.000 0.433 272 A N -0.133 122.679 122.820 -0.014 0.000 1.908 272 A HA -0.278 4.042 4.320 0.001 0.000 0.218 272 A C 2.251 179.826 177.584 -0.014 0.000 1.181 272 A CA 1.993 54.023 52.037 -0.012 0.000 0.627 272 A CB -0.543 18.453 19.000 -0.007 0.000 0.818 272 A HN 0.487 nan 8.150 nan 0.000 0.445 273 E N -0.175 120.017 120.200 -0.013 0.000 2.031 273 E HA -0.192 4.158 4.350 0.001 0.000 0.193 273 E C 1.988 178.574 176.600 -0.023 0.000 0.994 273 E CA 1.317 57.708 56.400 -0.015 0.000 0.800 273 E CB -0.258 29.436 29.700 -0.012 0.000 0.752 273 E HN 0.596 nan 8.360 nan 0.000 0.447 274 L N 0.328 121.533 121.223 -0.030 0.000 2.013 274 L HA -0.232 4.108 4.340 0.001 0.000 0.212 274 L C 2.874 179.723 176.870 -0.036 0.000 1.073 274 L CA 1.605 56.421 54.840 -0.041 0.000 0.753 274 L CB -0.337 41.691 42.059 -0.052 0.000 0.890 274 L HN 0.118 nan 8.230 nan 0.000 0.432 275 R N -0.480 120.001 120.500 -0.031 0.000 2.092 275 R HA -0.112 4.228 4.340 0.001 0.000 0.231 275 R C 2.370 178.658 176.300 -0.021 0.000 1.119 275 R CA 1.223 57.307 56.100 -0.026 0.000 0.970 275 R CB -0.491 29.795 30.300 -0.024 0.000 0.864 275 R HN 0.359 nan 8.270 nan 0.000 0.440 276 A N 0.976 123.785 122.820 -0.018 0.000 2.070 276 A HA -0.174 4.146 4.320 0.001 0.000 0.220 276 A C 1.680 179.255 177.584 -0.015 0.000 1.159 276 A CA 1.141 53.170 52.037 -0.014 0.000 0.656 276 A CB -0.179 18.814 19.000 -0.011 0.000 0.800 276 A HN 0.352 nan 8.150 nan 0.000 0.453 277 Q N -1.457 118.331 119.800 -0.019 0.000 2.360 277 Q HA 0.276 4.616 4.340 0.001 0.000 0.202 277 Q C 1.015 177.004 176.000 -0.019 0.000 0.915 277 Q CA 0.251 56.042 55.803 -0.020 0.000 0.943 277 Q CB 0.144 28.866 28.738 -0.026 0.000 1.064 277 Q HN 0.810 nan 8.270 nan 0.000 0.511 278 G N 2.039 110.828 108.800 -0.019 0.000 2.179 278 G HA2 -0.310 3.650 3.960 0.001 0.000 0.257 278 G HA3 -0.310 3.650 3.960 0.001 0.000 0.257 278 G C 0.130 175.018 174.900 -0.021 0.000 1.010 278 G CA 0.146 45.236 45.100 -0.017 0.000 0.736 278 G HN 0.258 nan 8.290 nan 0.000 0.513 279 K N 0.181 120.563 120.400 -0.030 0.000 2.758 279 K HA 0.437 4.758 4.320 0.001 0.000 0.250 279 K C 1.743 178.315 176.600 -0.047 0.000 1.268 279 K CA -0.475 55.789 56.287 -0.039 0.000 1.228 279 K CB 0.040 32.506 32.500 -0.056 0.000 1.715 279 K HN 0.334 nan 8.250 nan 0.000 0.334 280 L N 0.242 121.443 121.223 -0.038 0.000 2.056 280 L HA -0.190 4.151 4.340 0.001 0.000 0.207 280 L C 1.963 178.800 176.870 -0.056 0.000 1.078 280 L CA 1.311 56.126 54.840 -0.042 0.000 0.749 280 L CB -0.411 41.629 42.059 -0.031 0.000 0.901 280 L HN 0.403 nan 8.230 nan 0.000 0.433 281 L N -0.543 120.648 121.223 -0.053 0.000 2.042 281 L HA -0.233 4.107 4.340 0.001 0.000 0.210 281 L C 2.602 179.399 176.870 -0.121 0.000 1.076 281 L CA 1.216 56.013 54.840 -0.071 0.000 0.749 281 L CB -0.544 41.487 42.059 -0.047 0.000 0.893 281 L HN 0.237 nan 8.230 nan 0.000 0.432 282 E N 0.202 120.329 120.200 -0.120 0.000 2.106 282 E HA -0.170 4.180 4.350 0.001 0.000 0.192 282 E C 2.262 178.762 176.600 -0.167 0.000 0.984 282 E CA 1.276 57.571 56.400 -0.175 0.000 0.806 282 E CB -0.358 29.263 29.700 -0.133 0.000 0.750 282 E HN 0.459 nan 8.360 nan 0.000 0.458 283 A N 0.861 123.613 122.820 -0.114 0.000 1.877 283 A HA -0.287 4.033 4.320 0.001 0.000 0.216 283 A C 2.205 179.727 177.584 -0.102 0.000 1.186 283 A CA 1.784 53.765 52.037 -0.093 0.000 0.620 283 A CB -0.615 18.346 19.000 -0.064 0.000 0.822 283 A HN 0.291 nan 8.150 nan 0.000 0.443 284 Q N -0.374 119.364 119.800 -0.103 0.000 2.135 284 Q HA -0.245 4.095 4.340 0.001 0.000 0.204 284 Q C 2.334 178.252 176.000 -0.137 0.000 0.981 284 Q CA 1.848 57.592 55.803 -0.099 0.000 0.856 284 Q CB -0.186 28.500 28.738 -0.087 0.000 0.902 284 Q HN 0.710 nan 8.270 nan 0.000 0.425 285 R N -0.033 120.343 120.500 -0.206 0.000 2.073 285 R HA -0.178 4.162 4.340 0.001 0.000 0.234 285 R C 2.354 178.501 176.300 -0.255 0.000 1.134 285 R CA 1.363 57.283 56.100 -0.300 0.000 0.952 285 R CB -0.420 29.572 30.300 -0.513 0.000 0.850 285 R HN 0.349 nan 8.270 nan 0.000 0.433 286 L N 1.763 122.855 121.223 -0.219 0.000 1.989 286 L HA -0.188 4.152 4.340 0.001 0.000 0.211 286 L C 2.323 179.152 176.870 -0.068 0.000 1.071 286 L CA 2.341 57.100 54.840 -0.135 0.000 0.749 286 L CB -0.794 41.205 42.059 -0.101 0.000 0.890 286 L HN 0.357 nan 8.230 nan 0.000 0.431 287 E N -1.201 118.961 120.200 -0.065 0.000 2.085 287 E HA -0.296 4.055 4.350 0.001 0.000 0.194 287 E C 2.119 178.708 176.600 -0.019 0.000 0.994 287 E CA 1.691 58.071 56.400 -0.034 0.000 0.801 287 E CB -0.127 29.551 29.700 -0.037 0.000 0.743 287 E HN 0.685 nan 8.360 nan 0.000 0.453 288 Q N -0.192 119.583 119.800 -0.042 0.000 2.046 288 Q HA -0.142 4.198 4.340 0.001 0.000 0.200 288 Q C 2.352 178.366 176.000 0.023 0.000 0.975 288 Q CA 1.614 57.404 55.803 -0.021 0.000 0.836 288 Q CB -0.076 28.626 28.738 -0.061 0.000 0.896 288 Q HN 0.249 nan 8.270 nan 0.000 0.428 289 R N -0.068 120.431 120.500 -0.003 0.000 2.075 289 R HA -0.065 4.276 4.340 0.001 0.000 0.232 289 R C 2.313 178.709 176.300 0.160 0.000 1.126 289 R CA 1.684 57.825 56.100 0.068 0.000 0.963 289 R CB -0.613 29.697 30.300 0.017 0.000 0.858 289 R HN 0.204 nan 8.270 nan 0.000 0.435 290 T N 1.239 115.859 114.554 0.110 0.000 2.701 290 T HA -0.058 4.292 4.350 0.001 0.000 0.263 290 T C 1.865 176.603 174.700 0.064 0.000 1.040 290 T CA 0.964 63.139 62.100 0.125 0.000 1.147 290 T CB -0.116 68.810 68.868 0.098 0.000 0.865 290 T HN 0.231 nan 8.240 nan 0.000 0.426 291 R N 0.093 120.623 120.500 0.050 0.000 2.105 291 R HA -0.098 4.242 4.340 0.001 0.000 0.239 291 R C 2.274 178.588 176.300 0.023 0.000 1.135 291 R CA 1.241 57.351 56.100 0.017 0.000 0.967 291 R CB -0.765 29.547 30.300 0.020 0.000 0.861 291 R HN 0.471 nan 8.270 nan 0.000 0.442 292 Y N 2.619 122.901 120.300 -0.031 0.000 2.128 292 Y HA -0.243 4.307 4.550 0.001 0.000 0.284 292 Y C 1.815 177.687 175.900 -0.046 0.000 1.154 292 Y CA 1.739 59.820 58.100 -0.031 0.000 1.149 292 Y CB -0.259 38.193 38.460 -0.014 0.000 0.976 292 Y HN 0.010 nan 8.280 nan 0.000 0.505 293 D N 0.180 120.558 120.400 -0.038 0.000 2.097 293 D HA -0.200 4.440 4.640 0.001 0.000 0.195 293 D C 2.387 178.526 176.300 -0.268 0.000 0.989 293 D CA 1.704 55.616 54.000 -0.146 0.000 0.827 293 D CB -0.614 40.194 40.800 0.014 0.000 0.966 293 D HN 0.403 nan 8.370 nan 0.000 0.456 294 L N 0.955 122.046 121.223 -0.221 0.000 2.081 294 L HA -0.206 4.135 4.340 0.001 0.000 0.212 294 L C 2.312 179.060 176.870 -0.203 0.000 1.080 294 L CA 1.313 56.023 54.840 -0.217 0.000 0.754 294 L CB -0.439 41.528 42.059 -0.154 0.000 0.893 294 L HN 0.079 nan 8.230 nan 0.000 0.433 295 E N -0.636 119.432 120.200 -0.220 0.000 2.107 295 E HA -0.183 4.167 4.350 0.001 0.000 0.191 295 E C 2.320 178.757 176.600 -0.273 0.000 0.982 295 E CA 0.892 57.162 56.400 -0.216 0.000 0.809 295 E CB -0.092 29.493 29.700 -0.192 0.000 0.756 295 E HN 0.405 nan 8.360 nan 0.000 0.459 296 M N 0.147 119.516 119.600 -0.385 0.000 2.159 296 M HA -0.103 4.377 4.480 0.001 0.000 0.263 296 M C 2.285 178.407 176.300 -0.297 0.000 1.063 296 M CA 1.456 56.522 55.300 -0.390 0.000 1.110 296 M CB -0.597 31.719 32.600 -0.473 0.000 1.374 296 M HN 0.209 nan 8.290 nan 0.000 0.411 297 M N -0.887 118.566 119.600 -0.246 0.000 2.132 297 M HA -0.181 4.299 4.480 0.001 0.000 0.263 297 M C 2.223 178.453 176.300 -0.116 0.000 1.065 297 M CA 1.569 56.770 55.300 -0.165 0.000 1.122 297 M CB -0.321 32.172 32.600 -0.179 0.000 1.365 297 M HN 0.182 nan 8.290 nan 0.000 0.411 298 R N -0.233 120.192 120.500 -0.125 0.000 2.148 298 R HA -0.084 4.256 4.340 0.001 0.000 0.223 298 R C 1.773 178.030 176.300 -0.072 0.000 1.088 298 R CA 0.997 57.046 56.100 -0.085 0.000 0.985 298 R CB -0.071 30.178 30.300 -0.084 0.000 0.880 298 R HN 0.510 nan 8.270 nan 0.000 0.451 299 E N 0.137 120.278 120.200 -0.099 0.000 2.140 299 E HA -0.038 4.313 4.350 0.001 0.000 0.191 299 E C 1.289 177.854 176.600 -0.058 0.000 0.973 299 E CA 0.936 57.288 56.400 -0.079 0.000 0.829 299 E CB 0.363 30.002 29.700 -0.101 0.000 0.781 299 E HN 0.286 nan 8.360 nan 0.000 0.466 300 M N -3.270 116.280 119.600 -0.084 0.000 2.687 300 M HA 0.480 4.960 4.480 0.001 0.000 0.413 300 M C 0.753 177.097 176.300 0.073 0.000 1.216 300 M CA 0.124 55.411 55.300 -0.022 0.000 0.871 300 M CB 1.210 33.760 32.600 -0.083 0.000 1.481 300 M HN 0.041 nan 8.290 nan 0.000 0.521 301 G N 1.983 110.810 108.800 0.044 0.000 2.212 301 G HA2 -0.303 3.657 3.960 0.001 0.000 0.267 301 G HA3 -0.303 3.657 3.960 0.001 0.000 0.267 301 G C -0.211 174.839 174.900 0.250 0.000 1.002 301 G CA 1.150 46.323 45.100 0.123 0.000 0.729 301 G HN 1.077 nan 8.290 nan 0.000 0.517 302 F N -2.387 117.563 119.950 -0.000 0.000 2.842 302 F HA 0.644 5.172 4.527 0.001 0.000 0.319 302 F C -0.240 175.557 175.800 -0.005 0.000 1.159 302 F CA -1.163 56.848 58.000 0.019 0.000 0.902 302 F CB 0.339 39.376 39.000 0.061 0.000 1.311 302 F HN 0.835 nan 8.300 nan 0.000 0.453 303 C N -0.003 119.281 119.300 -0.027 0.000 3.323 303 C HA 0.889 5.350 4.460 0.001 0.000 0.324 303 C C -0.544 174.538 174.990 0.153 0.000 1.428 303 C CA -0.355 58.575 59.018 -0.147 0.000 1.368 303 C CB 1.289 28.962 27.740 -0.113 0.000 1.731 303 C HN 1.217 nan 8.230 nan 0.000 0.455 304 S N 0.003 115.779 115.700 0.127 0.000 2.545 304 S HA 0.583 5.053 4.470 0.001 0.000 0.275 304 S C 0.990 175.697 174.600 0.179 0.000 1.299 304 S CA 0.470 58.787 58.200 0.196 0.000 1.048 304 S CB 0.594 63.903 63.200 0.181 0.000 0.938 304 S HN 2.886 nan 8.310 nan 0.000 0.496 305 G N 1.483 110.365 108.800 0.137 0.000 2.147 305 G HA2 -0.253 3.707 3.960 0.001 0.000 0.244 305 G HA3 -0.253 3.707 3.960 0.001 0.000 0.244 305 G C 0.333 175.278 174.900 0.075 0.000 1.005 305 G CA 0.189 45.332 45.100 0.072 0.000 0.713 305 G HN 0.814 nan 8.290 nan 0.000 0.515 306 I N 0.031 120.664 120.570 0.105 0.000 2.423 306 I HA -0.152 4.018 4.170 0.001 0.000 0.254 306 I C 2.422 178.464 176.117 -0.124 0.000 1.151 306 I CA 2.263 63.646 61.300 0.139 0.000 1.421 306 I CB 0.063 38.168 38.000 0.175 0.000 1.079 306 I HN 0.425 nan 8.210 nan 0.000 0.431 307 E N 0.838 120.759 120.200 -0.466 0.000 2.130 307 E HA -0.253 4.097 4.350 0.001 0.000 0.196 307 E C 1.754 178.170 176.600 -0.305 0.000 0.998 307 E CA 1.398 57.371 56.400 -0.712 0.000 0.806 307 E CB -0.585 28.772 29.700 -0.571 0.000 0.738 307 E HN 0.518 nan 8.360 nan 0.000 0.459 308 N N -0.121 118.412 118.700 -0.277 0.000 2.334 308 N HA -0.176 4.564 4.740 0.001 0.000 0.187 308 N C 0.672 175.941 175.510 -0.401 0.000 1.016 308 N CA 1.122 53.950 53.050 -0.369 0.000 0.879 308 N CB -0.092 38.102 38.487 -0.488 0.000 0.965 308 N HN 0.400 nan 8.380 nan 0.000 0.438 309 Y N -0.112 120.190 120.300 0.004 0.000 2.507 309 Y HA 0.113 4.663 4.550 0.001 0.000 0.254 309 Y C 2.182 178.155 175.900 0.122 0.000 1.171 309 Y CA -0.274 57.884 58.100 0.096 0.000 1.238 309 Y CB 0.130 38.650 38.460 0.099 0.000 1.148 309 Y HN 0.037 nan 8.280 nan 0.000 0.525 310 S N 0.623 116.428 115.700 0.175 0.000 2.387 310 S HA -0.289 4.181 4.470 0.001 0.000 0.230 310 S C 2.201 176.944 174.600 0.238 0.000 1.035 310 S CA 1.247 59.600 58.200 0.255 0.000 1.014 310 S CB -0.240 63.151 63.200 0.319 0.000 0.836 310 S HN 0.436 nan 8.310 nan 0.000 0.466 311 R N 0.839 121.421 120.500 0.137 0.000 2.081 311 R HA -0.132 4.208 4.340 0.001 0.000 0.235 311 R C 2.175 178.528 176.300 0.087 0.000 1.131 311 R CA 1.805 57.944 56.100 0.065 0.000 0.960 311 R CB -0.899 29.372 30.300 -0.050 0.000 0.856 311 R HN 0.610 nan 8.270 nan 0.000 0.436 312 H N 0.853 120.013 119.070 0.150 0.000 2.326 312 H HA -0.053 4.504 4.556 0.001 0.000 0.301 312 H C 2.204 177.618 175.328 0.143 0.000 1.081 312 H CA 1.504 57.637 56.048 0.141 0.000 1.334 312 H CB -0.182 29.675 29.762 0.159 0.000 1.385 312 H HN 0.182 nan 8.280 nan 0.000 0.504 313 L N 0.045 121.455 121.223 0.312 0.000 2.131 313 L HA -0.121 4.220 4.340 0.001 0.000 0.210 313 L C 2.589 179.591 176.870 0.221 0.000 1.092 313 L CA 0.955 55.939 54.840 0.240 0.000 0.759 313 L CB -0.523 41.690 42.059 0.256 0.000 0.903 313 L HN 0.183 nan 8.230 nan 0.000 0.435 314 A N -0.406 122.560 122.820 0.243 0.000 2.167 314 A HA 0.113 4.433 4.320 0.001 0.000 0.214 314 A C 1.359 179.059 177.584 0.192 0.000 1.151 314 A CA -0.095 52.088 52.037 0.243 0.000 0.735 314 A CB -0.271 18.923 19.000 0.322 0.000 0.802 314 A HN 0.419 nan 8.150 nan 0.000 0.467 315 L N -0.695 120.632 121.223 0.174 0.000 3.677 315 L HA -0.231 4.109 4.340 0.001 0.000 0.464 315 L C 0.066 177.005 176.870 0.116 0.000 1.278 315 L CA 0.201 55.127 54.840 0.144 0.000 0.806 315 L CB -1.613 40.517 42.059 0.119 0.000 1.610 315 L HN 0.483 nan 8.230 nan 0.000 0.867 316 R N -0.287 120.271 120.500 0.096 0.000 2.873 316 R HA 0.687 5.027 4.340 0.001 0.000 0.264 316 R C -2.349 173.966 176.300 0.025 0.000 1.026 316 R CA -1.972 54.163 56.100 0.058 0.000 1.002 316 R CB 0.825 31.148 30.300 0.039 0.000 1.174 316 R HN -0.169 nan 8.270 nan 0.000 0.488 317 P HA 0.123 nan 4.420 nan 0.000 0.271 317 P C -2.440 174.848 177.300 -0.020 0.000 1.216 317 P CA -1.158 61.943 63.100 0.003 0.000 0.776 317 P CB -0.053 31.650 31.700 0.006 0.000 0.881 318 P HA -0.042 nan 4.420 nan 0.000 0.261 318 P C 1.045 178.332 177.300 -0.021 0.000 1.173 318 P CA 1.717 64.793 63.100 -0.039 0.000 0.760 318 P CB -0.008 31.679 31.700 -0.022 0.000 0.783 319 G N 1.840 110.628 108.800 -0.021 0.000 2.162 319 G HA2 -0.268 3.692 3.960 0.001 0.000 0.260 319 G HA3 -0.268 3.692 3.960 0.001 0.000 0.260 319 G C 0.514 175.409 174.900 -0.009 0.000 0.976 319 G CA 0.121 45.221 45.100 -0.001 0.000 0.655 319 G HN 0.584 nan 8.290 nan 0.000 0.533 320 S N 0.567 116.250 115.700 -0.029 0.000 2.566 320 S HA 0.391 4.861 4.470 0.001 0.000 0.280 320 S C 0.958 175.523 174.600 -0.059 0.000 1.343 320 S CA 0.689 58.858 58.200 -0.052 0.000 1.036 320 S CB 0.700 63.853 63.200 -0.079 0.000 0.866 320 S HN 0.461 nan 8.310 nan 0.000 0.526 321 T N 4.897 119.403 114.554 -0.080 0.000 2.870 321 T HA 0.271 4.622 4.350 0.001 0.000 0.300 321 T C -2.048 172.570 174.700 -0.135 0.000 0.989 321 T CA -0.812 61.244 62.100 -0.073 0.000 1.139 321 T CB 0.334 69.160 68.868 -0.071 0.000 0.920 321 T HN 0.370 nan 8.240 nan 0.000 0.537 322 P HA 0.209 nan 4.420 nan 0.000 0.272 322 P C -0.727 176.520 177.300 -0.088 0.000 1.240 322 P CA -0.433 62.631 63.100 -0.061 0.000 0.791 322 P CB 0.385 32.128 31.700 0.071 0.000 0.978 323 Y N -0.457 119.911 120.300 0.114 0.000 2.307 323 Y HA 0.499 5.049 4.550 0.001 0.000 0.324 323 Y C 1.400 177.374 175.900 0.124 0.000 1.238 323 Y CA 0.289 58.454 58.100 0.108 0.000 1.280 323 Y CB 1.044 39.569 38.460 0.109 0.000 1.248 323 Y HN 0.377 nan 8.280 nan 0.000 0.508 324 T N -1.701 113.023 114.554 0.284 0.000 2.762 324 T HA 0.197 4.547 4.350 0.001 0.000 0.301 324 T C 0.161 174.916 174.700 0.092 0.000 1.299 324 T CA -0.945 61.245 62.100 0.150 0.000 1.005 324 T CB 0.873 69.803 68.868 0.103 0.000 1.377 324 T HN 0.461 nan 8.240 nan 0.000 0.504 325 L N 0.891 122.017 121.223 -0.162 0.000 2.051 325 L HA -0.046 4.294 4.340 0.001 0.000 0.214 325 L C 2.408 179.276 176.870 -0.003 0.000 1.076 325 L CA 1.768 56.398 54.840 -0.350 0.000 0.758 325 L CB -1.213 40.418 42.059 -0.714 0.000 0.890 325 L HN 0.735 nan 8.230 nan 0.000 0.433 326 L N -1.123 120.134 121.223 0.058 0.000 2.129 326 L HA -0.263 4.078 4.340 0.001 0.000 0.212 326 L C 2.095 178.943 176.870 -0.036 0.000 1.087 326 L CA 1.619 56.495 54.840 0.060 0.000 0.757 326 L CB -1.216 40.901 42.059 0.096 0.000 0.896 326 L HN 0.368 nan 8.230 nan 0.000 0.434 327 D N -0.451 119.994 120.400 0.075 0.000 2.219 327 D HA -0.166 4.474 4.640 0.001 0.000 0.205 327 D C 1.971 178.251 176.300 -0.033 0.000 0.970 327 D CA 1.216 55.243 54.000 0.045 0.000 0.851 327 D CB -0.036 40.860 40.800 0.160 0.000 0.943 327 D HN 0.387 nan 8.370 nan 0.000 0.488 328 Y N -0.206 119.985 120.300 -0.182 0.000 2.574 328 Y HA -0.005 4.545 4.550 0.001 0.000 0.294 328 Y C 0.778 176.330 175.900 -0.579 0.000 1.142 328 Y CA 0.218 58.114 58.100 -0.341 0.000 1.314 328 Y CB -0.350 37.838 38.460 -0.454 0.000 0.991 328 Y HN -0.160 nan 8.280 nan 0.000 0.555 329 F N 0.629 120.340 119.950 -0.397 0.000 2.377 329 F HA 0.346 4.873 4.527 0.001 0.000 0.328 329 F C -1.639 173.906 175.800 -0.425 0.000 1.094 329 F CA -2.794 54.893 58.000 -0.521 0.000 1.093 329 F CB 0.244 38.645 39.000 -0.999 0.000 1.214 329 F HN -0.213 nan 8.300 nan 0.000 0.518 330 P HA -0.017 nan 4.420 nan 0.000 0.268 330 P C 0.116 177.432 177.300 0.027 0.000 1.208 330 P CA 0.131 63.225 63.100 -0.010 0.000 0.777 330 P CB 0.596 32.329 31.700 0.055 0.000 0.875 331 D N 0.765 121.194 120.400 0.050 0.000 2.221 331 D HA -0.166 4.474 4.640 0.001 0.000 0.204 331 D C 1.003 177.427 176.300 0.207 0.000 0.982 331 D CA 1.375 55.436 54.000 0.101 0.000 0.857 331 D CB -0.335 40.504 40.800 0.067 0.000 0.934 331 D HN 0.548 nan 8.370 nan 0.000 0.475 332 D N 0.334 120.842 120.400 0.180 0.000 2.336 332 D HA -0.071 4.569 4.640 0.001 0.000 0.228 332 D C 0.796 177.219 176.300 0.205 0.000 1.120 332 D CA -0.533 53.559 54.000 0.154 0.000 0.839 332 D CB -1.105 39.745 40.800 0.084 0.000 0.932 332 D HN 0.277 nan 8.370 nan 0.000 0.509 333 F N -0.002 119.930 119.950 -0.029 0.000 2.527 333 F HA 0.374 4.901 4.527 0.001 0.000 0.316 333 F C -0.291 175.413 175.800 -0.161 0.000 1.258 333 F CA -1.306 56.649 58.000 -0.075 0.000 1.314 333 F CB 0.412 39.331 39.000 -0.135 0.000 1.200 333 F HN -0.112 nan 8.300 nan 0.000 0.577 334 L N 2.076 123.060 121.223 -0.399 0.000 2.381 334 L HA 0.631 4.971 4.340 0.001 0.000 0.268 334 L C -1.210 175.298 176.870 -0.603 0.000 0.997 334 L CA -1.092 53.438 54.840 -0.516 0.000 0.818 334 L CB 1.718 43.620 42.059 -0.262 0.000 1.310 334 L HN 0.687 nan 8.230 nan 0.000 0.416 335 I N 4.820 125.030 120.570 -0.600 0.000 2.474 335 I HA 0.449 4.619 4.170 0.001 0.000 0.294 335 I C -0.899 175.039 176.117 -0.299 0.000 1.005 335 I CA -0.442 60.599 61.300 -0.433 0.000 1.113 335 I CB 1.954 39.706 38.000 -0.413 0.000 1.289 335 I HN 0.468 nan 8.210 nan 0.000 0.436 336 I N 6.383 126.839 120.570 -0.190 0.000 2.406 336 I HA 0.269 4.439 4.170 0.001 0.000 0.290 336 I C -0.424 175.659 176.117 -0.056 0.000 0.999 336 I CA -0.516 60.705 61.300 -0.131 0.000 1.124 336 I CB 1.887 39.840 38.000 -0.079 0.000 1.289 336 I HN 0.127 nan 8.210 nan 0.000 0.441 337 V N 5.355 125.261 119.914 -0.014 0.000 2.334 337 V HA 0.158 4.278 4.120 0.001 0.000 0.267 337 V C -0.040 176.131 176.094 0.128 0.000 1.040 337 V CA -0.607 61.748 62.300 0.093 0.000 0.866 337 V CB 0.865 32.829 31.823 0.235 0.000 1.019 337 V HN 0.698 nan 8.190 nan 0.000 0.468 338 D N 4.483 124.947 120.400 0.107 0.000 2.382 338 D HA 0.114 4.755 4.640 0.001 0.000 0.245 338 D C 0.617 177.022 176.300 0.175 0.000 1.120 338 D CA 0.126 54.205 54.000 0.132 0.000 0.890 338 D CB 0.604 41.470 40.800 0.111 0.000 1.201 338 D HN 0.572 nan 8.370 nan 0.000 0.433 339 E N 1.907 122.228 120.200 0.202 0.000 2.297 339 E HA -0.233 4.118 4.350 0.001 0.000 0.228 339 E C 1.080 177.752 176.600 0.121 0.000 1.213 339 E CA 0.896 57.426 56.400 0.216 0.000 0.712 339 E CB -2.050 27.782 29.700 0.220 0.000 1.202 339 E HN 0.559 nan 8.360 nan 0.000 0.376 340 S N -0.090 115.741 115.700 0.219 0.000 2.407 340 S HA -0.302 4.168 4.470 0.001 0.000 0.235 340 S C 1.732 176.389 174.600 0.094 0.000 1.036 340 S CA 1.685 60.003 58.200 0.197 0.000 1.013 340 S CB -0.659 62.730 63.200 0.314 0.000 0.820 340 S HN 0.676 nan 8.310 nan 0.000 0.476 341 H N 1.046 120.159 119.070 0.070 0.000 2.456 341 H HA 0.070 4.626 4.556 0.001 0.000 0.296 341 H C 2.295 177.638 175.328 0.025 0.000 1.079 341 H CA 1.522 57.596 56.048 0.042 0.000 1.322 341 H CB -0.909 28.875 29.762 0.038 0.000 1.388 341 H HN 0.534 nan 8.280 nan 0.000 0.538 342 V N 0.769 120.314 119.914 -0.615 0.000 2.521 342 V HA -0.066 4.054 4.120 0.001 0.000 0.239 342 V C 2.180 178.136 176.094 -0.230 0.000 1.053 342 V CA 1.530 63.572 62.300 -0.430 0.000 1.073 342 V CB -0.407 31.036 31.823 -0.633 0.000 0.746 342 V HN 0.387 nan 8.190 nan 0.000 0.476 343 T N 2.097 116.560 114.554 -0.152 0.000 2.620 343 T HA -0.250 4.101 4.350 0.001 0.000 0.267 343 T C 1.871 176.578 174.700 0.012 0.000 1.044 343 T CA 2.687 64.791 62.100 0.006 0.000 1.161 343 T CB -0.595 68.325 68.868 0.086 0.000 0.862 343 T HN 0.456 nan 8.240 nan 0.000 0.438 344 L N 0.681 121.929 121.223 0.043 0.000 1.989 344 L HA -0.089 4.251 4.340 0.001 0.000 0.211 344 L C -0.408 176.477 176.870 0.025 0.000 1.071 344 L CA 1.585 56.479 54.840 0.090 0.000 0.749 344 L CB -1.737 40.381 42.059 0.098 0.000 0.890 344 L HN 0.219 nan 8.230 nan 0.000 0.431 345 P HA -0.219 nan 4.420 nan 0.000 0.218 345 P C 1.494 178.769 177.300 -0.042 0.000 1.148 345 P CA 1.301 64.354 63.100 -0.080 0.000 0.822 345 P CB -0.010 31.647 31.700 -0.072 0.000 0.784 346 Q N -0.701 119.082 119.800 -0.028 0.000 2.079 346 Q HA -0.154 4.186 4.340 0.001 0.000 0.200 346 Q C 1.993 177.993 176.000 -0.001 0.000 0.974 346 Q CA 1.058 56.857 55.803 -0.006 0.000 0.840 346 Q CB -0.687 28.063 28.738 0.020 0.000 0.898 346 Q HN 0.085 nan 8.270 nan 0.000 0.430 347 L N 1.056 122.270 121.223 -0.014 0.000 2.042 347 L HA -0.176 4.164 4.340 0.001 0.000 0.210 347 L C 2.606 179.512 176.870 0.061 0.000 1.076 347 L CA 1.956 56.765 54.840 -0.051 0.000 0.749 347 L CB -0.469 41.480 42.059 -0.184 0.000 0.893 347 L HN 0.197 nan 8.230 nan 0.000 0.432 348 R N -0.891 119.694 120.500 0.142 0.000 2.105 348 R HA -0.142 4.198 4.340 0.001 0.000 0.239 348 R C 1.892 178.242 176.300 0.083 0.000 1.135 348 R CA 1.495 57.681 56.100 0.144 0.000 0.967 348 R CB -0.622 29.610 30.300 -0.114 0.000 0.861 348 R HN 0.481 nan 8.270 nan 0.000 0.442 349 G N -0.492 108.332 108.800 0.041 0.000 2.985 349 G HA2 -0.063 3.898 3.960 0.001 0.000 0.209 349 G HA3 -0.063 3.898 3.960 0.001 0.000 0.209 349 G C 1.146 176.074 174.900 0.047 0.000 1.165 349 G CA -0.214 44.909 45.100 0.038 0.000 0.776 349 G HN 0.120 nan 8.290 nan 0.000 0.541 350 M N -0.119 119.512 119.600 0.053 0.000 2.067 350 M HA -0.033 4.448 4.480 0.001 0.000 0.260 350 M C 2.185 178.508 176.300 0.039 0.000 1.069 350 M CA 0.971 56.285 55.300 0.023 0.000 1.117 350 M CB -1.177 31.439 32.600 0.027 0.000 1.334 350 M HN 0.375 nan 8.290 nan 0.000 0.407 351 Y N 1.873 122.161 120.300 -0.019 0.000 2.030 351 Y HA -0.310 4.240 4.550 0.001 0.000 0.274 351 Y C 2.319 178.206 175.900 -0.021 0.000 1.153 351 Y CA 2.105 60.195 58.100 -0.017 0.000 1.115 351 Y CB -0.684 37.784 38.460 0.013 0.000 0.969 351 Y HN 0.307 nan 8.280 nan 0.000 0.488 352 N N 0.220 118.960 118.700 0.066 0.000 2.061 352 N HA -0.180 4.561 4.740 0.001 0.000 0.193 352 N C 1.996 177.442 175.510 -0.107 0.000 1.030 352 N CA 1.558 54.584 53.050 -0.039 0.000 0.856 352 N CB -1.063 37.465 38.487 0.068 0.000 1.023 352 N HN 0.610 nan 8.380 nan 0.000 0.424 353 G N 0.840 109.600 108.800 -0.067 0.000 2.421 353 G HA2 -0.273 3.687 3.960 0.001 0.000 0.216 353 G HA3 -0.273 3.687 3.960 0.001 0.000 0.216 353 G C 1.273 176.102 174.900 -0.118 0.000 1.171 353 G CA 0.903 45.962 45.100 -0.068 0.000 0.775 353 G HN 0.343 nan 8.290 nan 0.000 0.543 354 D N 0.435 120.734 120.400 -0.167 0.000 2.084 354 D HA -0.142 4.499 4.640 0.001 0.000 0.194 354 D C 2.464 178.617 176.300 -0.246 0.000 0.990 354 D CA 1.102 54.975 54.000 -0.211 0.000 0.826 354 D CB -0.068 40.589 40.800 -0.239 0.000 0.971 354 D HN 0.273 nan 8.370 nan 0.000 0.453 355 R N 0.491 120.762 120.500 -0.382 0.000 2.096 355 R HA -0.160 4.180 4.340 0.001 0.000 0.240 355 R C 2.323 178.512 176.300 -0.186 0.000 1.139 355 R CA 1.868 57.756 56.100 -0.353 0.000 0.952 355 R CB -0.389 29.582 30.300 -0.548 0.000 0.854 355 R HN 0.141 nan 8.270 nan 0.000 0.436 356 A N 0.968 123.699 122.820 -0.148 0.000 1.972 356 A HA -0.156 4.164 4.320 0.001 0.000 0.219 356 A C 2.209 179.762 177.584 -0.053 0.000 1.169 356 A CA 1.330 53.322 52.037 -0.076 0.000 0.635 356 A CB -0.612 18.356 19.000 -0.054 0.000 0.810 356 A HN 0.380 nan 8.150 nan 0.000 0.446 357 R N -0.510 119.948 120.500 -0.071 0.000 2.115 357 R HA -0.067 4.273 4.340 0.001 0.000 0.226 357 R C 1.871 178.147 176.300 -0.039 0.000 1.100 357 R CA 1.670 57.740 56.100 -0.050 0.000 0.980 357 R CB -0.161 30.100 30.300 -0.064 0.000 0.875 357 R HN 0.364 nan 8.270 nan 0.000 0.445 358 K N 0.399 120.759 120.400 -0.066 0.000 2.167 358 K HA -0.071 4.249 4.320 0.001 0.000 0.203 358 K C 2.018 178.611 176.600 -0.012 0.000 1.052 358 K CA 0.961 57.217 56.287 -0.051 0.000 0.956 358 K CB 0.077 32.524 32.500 -0.088 0.000 0.735 358 K HN 0.041 nan 8.250 nan 0.000 0.451 359 Q N -0.336 119.454 119.800 -0.016 0.000 2.170 359 Q HA -0.095 4.245 4.340 0.001 0.000 0.203 359 Q C 1.609 177.652 176.000 0.070 0.000 0.976 359 Q CA 1.250 57.060 55.803 0.012 0.000 0.858 359 Q CB 0.103 28.841 28.738 0.000 0.000 0.907 359 Q HN 0.100 nan 8.270 nan 0.000 0.433 360 V N 0.101 120.079 119.914 0.106 0.000 2.343 360 V HA -0.271 3.849 4.120 0.001 0.000 0.247 360 V C 2.094 178.362 176.094 0.289 0.000 1.051 360 V CA 1.576 64.016 62.300 0.233 0.000 1.036 360 V CB -0.537 31.406 31.823 0.201 0.000 0.654 360 V HN 0.378 nan 8.190 nan 0.000 0.451 361 L N -0.448 120.875 121.223 0.166 0.000 2.017 361 L HA -0.166 4.175 4.340 0.001 0.000 0.208 361 L C 2.493 179.483 176.870 0.200 0.000 1.073 361 L CA 1.288 56.234 54.840 0.176 0.000 0.745 361 L CB -0.662 41.442 42.059 0.075 0.000 0.894 361 L HN 0.187 nan 8.230 nan 0.000 0.432 362 V N -0.362 119.611 119.914 0.099 0.000 2.261 362 V HA -0.298 3.822 4.120 0.001 0.000 0.246 362 V C 2.117 178.224 176.094 0.021 0.000 1.047 362 V CA 1.955 64.282 62.300 0.045 0.000 1.015 362 V CB -0.550 31.280 31.823 0.012 0.000 0.642 362 V HN 0.433 nan 8.190 nan 0.000 0.446 363 D N -0.893 119.518 120.400 0.018 0.000 2.182 363 D HA -0.153 4.488 4.640 0.001 0.000 0.201 363 D C 1.874 178.023 176.300 -0.252 0.000 0.986 363 D CA 1.346 55.282 54.000 -0.106 0.000 0.847 363 D CB -0.251 40.479 40.800 -0.117 0.000 0.942 363 D HN 0.571 nan 8.370 nan 0.000 0.467 364 H N -1.350 117.749 119.070 0.049 0.000 2.551 364 H HA 0.308 4.864 4.556 0.001 0.000 0.271 364 H C 1.228 176.424 175.328 -0.220 0.000 0.984 364 H CA 0.694 56.720 56.048 -0.038 0.000 1.164 364 H CB 1.068 30.810 29.762 -0.033 0.000 1.437 364 H HN 0.172 nan 8.280 nan 0.000 0.550 365 G N 0.746 109.488 108.800 -0.097 0.000 2.131 365 G HA2 -0.266 3.694 3.960 0.001 0.000 0.223 365 G HA3 -0.266 3.694 3.960 0.001 0.000 0.223 365 G C 0.463 175.153 174.900 -0.350 0.000 0.990 365 G CA 0.036 44.998 45.100 -0.230 0.000 0.671 365 G HN 0.332 nan 8.290 nan 0.000 0.521 366 F N 0.115 119.973 119.950 -0.153 0.000 2.446 366 F HA 0.420 4.948 4.527 0.001 0.000 0.292 366 F C 1.744 177.479 175.800 -0.108 0.000 1.096 366 F CA 0.718 58.610 58.000 -0.180 0.000 1.438 366 F CB 0.253 39.132 39.000 -0.203 0.000 1.107 366 F HN 0.001 nan 8.300 nan 0.000 0.546 367 R N -0.178 120.380 120.500 0.097 0.000 2.837 367 R HA 0.509 4.850 4.340 0.001 0.000 0.271 367 R C -0.968 175.333 176.300 0.002 0.000 0.993 367 R CA -0.941 55.171 56.100 0.020 0.000 0.931 367 R CB 1.318 31.618 30.300 -0.000 0.000 1.206 367 R HN -0.008 nan 8.270 nan 0.000 0.474 368 L N 2.285 123.502 121.223 -0.010 0.000 2.418 368 L HA 0.287 4.627 4.340 0.001 0.000 0.265 368 L C -1.178 175.694 176.870 0.003 0.000 1.143 368 L CA -1.626 53.224 54.840 0.018 0.000 0.809 368 L CB 0.650 42.752 42.059 0.071 0.000 1.124 368 L HN 0.299 nan 8.230 nan 0.000 0.456 369 P HA -0.215 nan 4.420 nan 0.000 0.216 369 P C 1.605 178.900 177.300 -0.009 0.000 1.150 369 P CA 1.549 64.650 63.100 0.002 0.000 0.843 369 P CB 0.090 31.797 31.700 0.012 0.000 0.787 370 S N -0.445 115.260 115.700 0.008 0.000 2.440 370 S HA -0.192 4.278 4.470 0.001 0.000 0.240 370 S C 1.982 176.544 174.600 -0.062 0.000 1.014 370 S CA 1.256 59.432 58.200 -0.040 0.000 0.980 370 S CB -1.376 61.809 63.200 -0.026 0.000 0.775 370 S HN 0.149 nan 8.310 nan 0.000 0.499 371 A N 1.427 124.204 122.820 -0.070 0.000 2.121 371 A HA 0.261 4.582 4.320 0.001 0.000 0.218 371 A C 2.085 179.618 177.584 -0.085 0.000 1.154 371 A CA 0.895 52.864 52.037 -0.112 0.000 0.679 371 A CB -0.727 18.184 19.000 -0.147 0.000 0.795 371 A HN 0.606 nan 8.150 nan 0.000 0.458 372 L N -0.635 120.550 121.223 -0.063 0.000 2.551 372 L HA -0.083 4.257 4.340 0.001 0.000 0.228 372 L C 0.936 177.783 176.870 -0.039 0.000 1.153 372 L CA 0.556 55.359 54.840 -0.061 0.000 0.851 372 L CB -0.254 41.776 42.059 -0.049 0.000 0.959 372 L HN 0.198 nan 8.230 nan 0.000 0.451 373 D N -0.612 119.767 120.400 -0.035 0.000 2.339 373 D HA -0.027 4.614 4.640 0.001 0.000 0.217 373 D C 0.654 176.959 176.300 0.009 0.000 1.050 373 D CA 0.374 54.368 54.000 -0.010 0.000 0.856 373 D CB 0.037 40.817 40.800 -0.033 0.000 0.922 373 D HN 0.240 nan 8.370 nan 0.000 0.518 374 N N 1.627 120.320 118.700 -0.012 0.000 2.589 374 N HA 0.140 4.880 4.740 0.001 0.000 0.232 374 N C -0.553 174.949 175.510 -0.014 0.000 1.015 374 N CA -0.169 52.888 53.050 0.011 0.000 0.931 374 N CB 0.581 39.050 38.487 -0.031 0.000 1.150 374 N HN 0.085 nan 8.380 nan 0.000 0.512 375 R N 1.525 122.040 120.500 0.026 0.000 2.741 375 R HA 0.573 4.913 4.340 0.001 0.000 0.274 375 R C -3.295 173.044 176.300 0.065 0.000 1.029 375 R CA -1.361 54.735 56.100 -0.006 0.000 0.880 375 R CB 0.513 30.815 30.300 0.003 0.000 1.264 375 R HN 0.105 nan 8.270 nan 0.000 0.465 376 P HA 0.206 nan 4.420 nan 0.000 0.276 376 P C -0.422 176.989 177.300 0.185 0.000 1.244 376 P CA -0.568 62.618 63.100 0.143 0.000 0.801 376 P CB 0.492 32.257 31.700 0.107 0.000 1.006 377 L N 0.627 121.937 121.223 0.146 0.000 2.467 377 L HA 0.188 4.529 4.340 0.001 0.000 0.270 377 L C 1.311 178.239 176.870 0.098 0.000 1.205 377 L CA -0.044 54.861 54.840 0.109 0.000 0.828 377 L CB -0.203 41.916 42.059 0.101 0.000 1.101 377 L HN 0.461 nan 8.230 nan 0.000 0.479 378 T N -2.060 112.483 114.554 -0.017 0.000 2.849 378 T HA 0.113 4.463 4.350 0.001 0.000 0.284 378 T C 0.872 175.616 174.700 0.074 0.000 1.004 378 T CA -0.446 61.602 62.100 -0.085 0.000 1.021 378 T CB 0.683 69.366 68.868 -0.308 0.000 1.013 378 T HN 0.424 nan 8.240 nan 0.000 0.527 379 F N 1.468 121.413 119.950 -0.007 0.000 2.091 379 F HA -0.091 4.437 4.527 0.001 0.000 0.299 379 F C 2.278 178.136 175.800 0.098 0.000 1.103 379 F CA 1.890 59.931 58.000 0.068 0.000 1.228 379 F CB -0.345 38.653 39.000 -0.003 0.000 0.984 379 F HN 0.661 nan 8.300 nan 0.000 0.477 380 E N 0.400 120.733 120.200 0.221 0.000 2.058 380 E HA -0.236 4.114 4.350 0.001 0.000 0.194 380 E C 2.055 178.667 176.600 0.021 0.000 0.997 380 E CA 1.920 58.394 56.400 0.123 0.000 0.801 380 E CB -0.474 29.273 29.700 0.079 0.000 0.746 380 E HN 0.520 nan 8.360 nan 0.000 0.450 381 E N -0.379 119.824 120.200 0.006 0.000 2.058 381 E HA -0.190 4.161 4.350 0.001 0.000 0.194 381 E C 1.858 178.456 176.600 -0.003 0.000 0.997 381 E CA 1.089 57.486 56.400 -0.004 0.000 0.801 381 E CB -0.295 29.402 29.700 -0.004 0.000 0.746 381 E HN 0.247 nan 8.360 nan 0.000 0.450 382 F N 2.124 121.975 119.950 -0.165 0.000 2.126 382 F HA -0.219 4.309 4.527 0.001 0.000 0.299 382 F C 1.970 177.623 175.800 -0.245 0.000 1.096 382 F CA 1.695 59.555 58.000 -0.234 0.000 1.255 382 F CB -0.128 38.643 39.000 -0.382 0.000 0.997 382 F HN -0.053 nan 8.300 nan 0.000 0.479 383 E N -0.441 119.470 120.200 -0.482 0.000 2.085 383 E HA -0.254 4.096 4.350 0.001 0.000 0.194 383 E C 2.150 178.589 176.600 -0.268 0.000 0.994 383 E CA 1.260 57.408 56.400 -0.420 0.000 0.801 383 E CB -0.147 29.498 29.700 -0.092 0.000 0.743 383 E HN 0.371 nan 8.360 nan 0.000 0.453 384 Q N 0.325 120.037 119.800 -0.148 0.000 2.291 384 Q HA -0.119 4.222 4.340 0.001 0.000 0.206 384 Q C 1.624 177.569 176.000 -0.091 0.000 0.976 384 Q CA 1.147 56.901 55.803 -0.083 0.000 0.875 384 Q CB 0.016 28.733 28.738 -0.035 0.000 0.927 384 Q HN 0.027 nan 8.270 nan 0.000 0.450 385 K N -0.367 119.954 120.400 -0.132 0.000 2.365 385 K HA 0.140 4.460 4.320 0.001 0.000 0.197 385 K C 0.344 176.908 176.600 -0.060 0.000 1.042 385 K CA -0.037 56.219 56.287 -0.052 0.000 0.987 385 K CB 0.269 32.772 32.500 0.006 0.000 0.779 385 K HN 0.114 nan 8.250 nan 0.000 0.484 386 I N 1.700 122.094 120.570 -0.295 0.000 2.618 386 I HA -0.122 4.048 4.170 0.001 0.000 0.284 386 I C 1.224 177.181 176.117 -0.267 0.000 1.146 386 I CA -0.135 60.931 61.300 -0.389 0.000 1.425 386 I CB 0.783 38.439 38.000 -0.573 0.000 1.383 386 I HN 0.186 nan 8.210 nan 0.000 0.562 387 N N 5.099 123.591 118.700 -0.346 0.000 2.426 387 N HA 0.051 4.791 4.740 0.001 0.000 0.205 387 N C -0.262 175.042 175.510 -0.342 0.000 1.040 387 N CA 0.840 53.746 53.050 -0.240 0.000 0.990 387 N CB 0.485 38.898 38.487 -0.124 0.000 1.215 387 N HN 0.592 nan 8.380 nan 0.000 0.491 388 Q N -0.021 119.500 119.800 -0.464 0.000 2.375 388 Q HA 0.489 4.829 4.340 0.001 0.000 0.271 388 Q C -1.351 174.345 176.000 -0.506 0.000 1.074 388 Q CA -0.614 54.944 55.803 -0.408 0.000 0.808 388 Q CB 3.039 31.608 28.738 -0.283 0.000 1.327 388 Q HN 0.396 nan 8.270 nan 0.000 0.441 389 I N 1.896 122.178 120.570 -0.480 0.000 2.722 389 I HA 0.518 4.689 4.170 0.001 0.000 0.295 389 I C -1.771 174.028 176.117 -0.531 0.000 1.161 389 I CA -0.945 60.026 61.300 -0.549 0.000 1.032 389 I CB 1.917 39.537 38.000 -0.634 0.000 1.244 389 I HN 0.619 nan 8.210 nan 0.000 0.421 390 I N 6.989 127.256 120.570 -0.505 0.000 2.478 390 I HA 0.312 4.482 4.170 0.001 0.000 0.287 390 I C -1.351 174.564 176.117 -0.337 0.000 1.042 390 I CA -0.481 60.601 61.300 -0.363 0.000 1.067 390 I CB 1.667 39.557 38.000 -0.183 0.000 1.233 390 I HN 0.422 nan 8.210 nan 0.000 0.431 391 Y N 5.285 125.628 120.300 0.072 0.000 2.313 391 Y HA 0.480 5.031 4.550 0.001 0.000 0.332 391 Y C 0.128 176.082 175.900 0.090 0.000 1.071 391 Y CA -0.848 57.315 58.100 0.104 0.000 1.169 391 Y CB 1.245 39.797 38.460 0.153 0.000 1.192 391 Y HN 0.162 nan 8.280 nan 0.000 0.487 392 V N 3.207 123.263 119.914 0.237 0.000 2.409 392 V HA 0.648 4.768 4.120 0.001 0.000 0.291 392 V C -0.432 175.779 176.094 0.195 0.000 1.020 392 V CA -0.388 62.016 62.300 0.172 0.000 0.848 392 V CB 1.392 33.289 31.823 0.124 0.000 0.990 392 V HN 0.803 nan 8.190 nan 0.000 0.430 393 S N 3.485 119.283 115.700 0.164 0.000 2.580 393 S HA 0.588 5.059 4.470 0.001 0.000 0.281 393 S C 0.424 175.063 174.600 0.065 0.000 1.129 393 S CA 0.253 58.550 58.200 0.161 0.000 0.862 393 S CB 1.699 65.054 63.200 0.258 0.000 1.090 393 S HN 1.113 nan 8.310 nan 0.000 0.451 394 A N 1.865 124.693 122.820 0.014 0.000 2.206 394 A HA 0.341 4.662 4.320 0.001 0.000 0.211 394 A C 1.050 178.580 177.584 -0.090 0.000 1.158 394 A CA 1.270 53.289 52.037 -0.030 0.000 0.761 394 A CB -0.513 18.468 19.000 -0.031 0.000 0.801 394 A HN 1.611 nan 8.150 nan 0.000 0.473 395 T N -2.505 111.948 114.554 -0.167 0.000 3.446 395 T HA 0.459 4.809 4.350 0.001 0.000 0.289 395 T C -3.218 171.400 174.700 -0.136 0.000 1.203 395 T CA -1.656 60.322 62.100 -0.202 0.000 1.645 395 T CB 0.845 69.508 68.868 -0.341 0.000 0.841 395 T HN -0.081 nan 8.240 nan 0.000 0.617 396 P HA 0.268 nan 4.420 nan 0.000 0.266 396 P C 0.951 178.281 177.300 0.049 0.000 1.186 396 P CA 0.443 63.575 63.100 0.053 0.000 0.767 396 P CB 0.395 32.119 31.700 0.039 0.000 0.820 397 G N 3.164 112.015 108.800 0.085 0.000 2.580 397 G HA2 0.258 4.218 3.960 0.001 0.000 0.278 397 G HA3 0.258 4.218 3.960 0.001 0.000 0.278 397 G C -1.736 173.188 174.900 0.039 0.000 1.212 397 G CA -1.189 43.955 45.100 0.074 0.000 0.939 397 G HN 0.278 nan 8.290 nan 0.000 0.513 398 P HA -0.158 nan 4.420 nan 0.000 0.216 398 P C 1.236 178.555 177.300 0.031 0.000 1.150 398 P CA 0.924 64.036 63.100 0.021 0.000 0.837 398 P CB 0.028 31.740 31.700 0.022 0.000 0.786 399 Y N 1.349 121.616 120.300 -0.055 0.000 2.145 399 Y HA -0.232 4.318 4.550 0.001 0.000 0.286 399 Y C 2.103 177.957 175.900 -0.078 0.000 1.145 399 Y CA 1.764 59.843 58.100 -0.036 0.000 1.148 399 Y CB -0.506 37.896 38.460 -0.097 0.000 0.981 399 Y HN -0.105 nan 8.280 nan 0.000 0.507 400 E N 0.515 120.660 120.200 -0.091 0.000 2.058 400 E HA -0.216 4.135 4.350 0.001 0.000 0.194 400 E C 2.116 178.639 176.600 -0.129 0.000 0.997 400 E CA 1.957 58.166 56.400 -0.318 0.000 0.801 400 E CB -0.501 29.026 29.700 -0.287 0.000 0.746 400 E HN 0.516 nan 8.360 nan 0.000 0.450 401 L N 0.561 121.739 121.223 -0.076 0.000 2.093 401 L HA -0.119 4.222 4.340 0.001 0.000 0.208 401 L C 2.575 179.384 176.870 -0.101 0.000 1.085 401 L CA 1.113 55.919 54.840 -0.056 0.000 0.755 401 L CB -0.351 41.685 42.059 -0.038 0.000 0.904 401 L HN 0.156 nan 8.230 nan 0.000 0.435 402 E N 0.009 120.115 120.200 -0.157 0.000 2.110 402 E HA -0.222 4.128 4.350 0.001 0.000 0.193 402 E C 1.724 178.082 176.600 -0.404 0.000 0.988 402 E CA 1.355 57.591 56.400 -0.273 0.000 0.804 402 E CB 0.108 29.599 29.700 -0.348 0.000 0.745 402 E HN 0.609 nan 8.360 nan 0.000 0.458 403 H N -0.996 117.825 119.070 -0.415 0.000 2.553 403 H HA 0.228 4.785 4.556 0.001 0.000 0.265 403 H C -0.118 175.091 175.328 -0.198 0.000 0.964 403 H CA 0.073 55.846 56.048 -0.457 0.000 1.156 403 H CB 0.697 29.845 29.762 -1.024 0.000 1.411 403 H HN -0.130 nan 8.280 nan 0.000 0.558 404 S N 2.418 118.126 115.700 0.012 0.000 2.525 404 S HA 0.253 4.723 4.470 0.001 0.000 0.290 404 S C -2.445 172.174 174.600 0.032 0.000 1.152 404 S CA -1.392 56.863 58.200 0.092 0.000 1.072 404 S CB 1.608 64.894 63.200 0.143 0.000 1.027 404 S HN 0.121 nan 8.310 nan 0.000 0.500 405 P HA 0.264 nan 4.420 nan 0.000 0.268 405 P C 0.723 178.033 177.300 0.017 0.000 1.541 405 P CA 0.415 63.524 63.100 0.015 0.000 1.093 405 P CB -0.320 31.392 31.700 0.020 0.000 1.551 406 G N 2.630 111.435 108.800 0.008 0.000 2.601 406 G HA2 -0.106 3.854 3.960 0.001 0.000 0.261 406 G HA3 -0.106 3.854 3.960 0.001 0.000 0.261 406 G C -0.479 174.437 174.900 0.027 0.000 1.289 406 G CA -0.010 45.096 45.100 0.011 0.000 0.920 406 G HN 0.796 nan 8.290 nan 0.000 0.571 407 V N -3.782 116.148 119.914 0.026 0.000 3.007 407 V HA 0.808 4.928 4.120 0.001 0.000 0.311 407 V C 0.227 176.338 176.094 0.029 0.000 1.120 407 V CA -0.665 61.657 62.300 0.037 0.000 0.980 407 V CB 1.815 33.658 31.823 0.034 0.000 1.033 407 V HN 1.461 nan 8.190 nan 0.000 0.429 408 V N 3.035 122.969 119.914 0.033 0.000 2.432 408 V HA 0.439 4.559 4.120 0.001 0.000 0.275 408 V C 0.294 176.399 176.094 0.019 0.000 1.043 408 V CA -0.225 62.087 62.300 0.021 0.000 0.925 408 V CB 0.867 32.700 31.823 0.016 0.000 0.985 408 V HN 0.988 nan 8.190 nan 0.000 0.466 409 E N 4.296 124.503 120.200 0.012 0.000 2.175 409 E HA 0.446 4.796 4.350 0.001 0.000 0.278 409 E C -0.585 176.014 176.600 -0.001 0.000 0.969 409 E CA -0.470 55.933 56.400 0.007 0.000 0.796 409 E CB 2.159 31.862 29.700 0.005 0.000 1.104 409 E HN 0.691 nan 8.360 nan 0.000 0.395 410 Q N 3.702 123.499 119.800 -0.005 0.000 2.414 410 Q HA 0.288 4.628 4.340 0.001 0.000 0.256 410 Q C -0.926 175.058 176.000 -0.027 0.000 0.974 410 Q CA -0.076 55.716 55.803 -0.017 0.000 0.723 410 Q CB 0.661 29.395 28.738 -0.006 0.000 1.281 410 Q HN 0.622 nan 8.270 nan 0.000 0.470 411 I N 3.494 124.034 120.570 -0.049 0.000 4.327 411 I HA 0.277 4.447 4.170 0.001 0.000 0.331 411 I C -0.445 175.614 176.117 -0.097 0.000 1.348 411 I CA 0.011 61.278 61.300 -0.054 0.000 1.152 411 I CB 1.133 39.113 38.000 -0.034 0.000 1.151 411 I HN 0.583 nan 8.210 nan 0.000 0.410 412 I N 1.475 121.946 120.570 -0.164 0.000 2.331 412 I HA 0.276 4.446 4.170 0.001 0.000 0.292 412 I C 0.259 176.240 176.117 -0.227 0.000 0.998 412 I CA -0.226 60.907 61.300 -0.278 0.000 1.267 412 I CB 0.716 38.356 38.000 -0.601 0.000 1.386 412 I HN -0.029 nan 8.210 nan 0.000 0.476 413 R N 7.405 127.800 120.500 -0.175 0.000 2.457 413 R HA 0.309 4.649 4.340 0.001 0.000 0.284 413 R C -1.527 174.702 176.300 -0.117 0.000 1.024 413 R CA -1.512 54.520 56.100 -0.114 0.000 1.025 413 R CB 0.633 30.893 30.300 -0.067 0.000 1.063 413 R HN 0.371 nan 8.270 nan 0.000 0.493 414 P HA -0.148 nan 4.420 nan 0.000 0.217 414 P C 0.803 178.075 177.300 -0.046 0.000 1.150 414 P CA 1.512 64.562 63.100 -0.084 0.000 0.832 414 P CB 0.049 31.684 31.700 -0.109 0.000 0.787 415 T N -4.768 109.762 114.554 -0.039 0.000 3.244 415 T HA 0.455 4.806 4.350 0.001 0.000 0.254 415 T C 1.345 176.049 174.700 0.007 0.000 1.024 415 T CA 0.141 62.234 62.100 -0.012 0.000 0.920 415 T CB -1.054 67.804 68.868 -0.017 0.000 1.042 415 T HN 0.276 nan 8.240 nan 0.000 0.572 416 G N 1.493 110.297 108.800 0.007 0.000 2.180 416 G HA2 -0.273 3.687 3.960 0.001 0.000 0.263 416 G HA3 -0.273 3.687 3.960 0.001 0.000 0.263 416 G C 0.079 174.990 174.900 0.018 0.000 0.989 416 G CA 0.237 45.356 45.100 0.031 0.000 0.692 416 G HN 0.663 nan 8.290 nan 0.000 0.526 417 L N 0.023 121.246 121.223 0.000 0.000 2.525 417 L HA 0.323 4.664 4.340 0.001 0.000 0.278 417 L C 1.127 177.998 176.870 0.002 0.000 1.218 417 L CA -0.003 54.839 54.840 0.003 0.000 0.878 417 L CB 0.448 42.506 42.059 -0.002 0.000 1.127 417 L HN 0.130 nan 8.230 nan 0.000 0.492 418 L N 2.311 123.540 121.223 0.011 0.000 2.334 418 L HA 0.363 4.703 4.340 0.001 0.000 0.275 418 L C -0.187 176.689 176.870 0.009 0.000 1.036 418 L CA -1.051 53.796 54.840 0.012 0.000 0.807 418 L CB 1.249 43.321 42.059 0.022 0.000 1.231 418 L HN 0.468 nan 8.230 nan 0.000 0.438 419 D N 3.003 123.406 120.400 0.004 0.000 2.472 419 D HA 0.093 4.733 4.640 0.001 0.000 0.237 419 D C -2.091 174.216 176.300 0.011 0.000 1.141 419 D CA -0.417 53.584 54.000 0.001 0.000 0.875 419 D CB 0.421 41.218 40.800 -0.006 0.000 1.192 419 D HN 0.232 nan 8.370 nan 0.000 0.450 420 P HA 0.067 nan 4.420 nan 0.000 0.274 420 P C -0.349 176.977 177.300 0.043 0.000 1.256 420 P CA -0.464 62.656 63.100 0.034 0.000 0.795 420 P CB 0.308 32.019 31.700 0.019 0.000 1.038 421 T N -1.481 113.142 114.554 0.115 0.000 2.868 421 T HA 0.575 4.925 4.350 0.001 0.000 0.292 421 T C 0.348 175.078 174.700 0.050 0.000 1.028 421 T CA -0.524 61.658 62.100 0.137 0.000 1.059 421 T CB 0.117 69.127 68.868 0.237 0.000 0.991 421 T HN 0.237 nan 8.240 nan 0.000 0.531 422 I N 1.380 121.944 120.570 -0.009 0.000 2.499 422 I HA 0.373 4.543 4.170 0.001 0.000 0.288 422 I C -0.917 175.155 176.117 -0.074 0.000 1.048 422 I CA -0.951 60.266 61.300 -0.140 0.000 1.062 422 I CB 2.089 40.022 38.000 -0.112 0.000 1.238 422 I HN 0.577 nan 8.210 nan 0.000 0.426 423 D N 4.777 125.091 120.400 -0.143 0.000 2.248 423 D HA 0.464 5.104 4.640 0.001 0.000 0.246 423 D C -0.871 175.336 176.300 -0.155 0.000 1.027 423 D CA -0.172 53.785 54.000 -0.071 0.000 0.853 423 D CB 3.017 43.816 40.800 -0.002 0.000 1.243 423 D HN 0.241 nan 8.370 nan 0.000 0.462 424 V N 1.788 121.632 119.914 -0.117 0.000 2.513 424 V HA 0.720 4.840 4.120 0.001 0.000 0.299 424 V C -0.837 175.187 176.094 -0.117 0.000 1.035 424 V CA -0.448 61.764 62.300 -0.146 0.000 0.889 424 V CB 1.485 33.246 31.823 -0.103 0.000 0.988 424 V HN 0.475 nan 8.190 nan 0.000 0.440 425 R N 4.791 125.200 120.500 -0.152 0.000 2.837 425 R HA 0.637 4.977 4.340 0.001 0.000 0.271 425 R C -2.841 173.506 176.300 0.079 0.000 0.993 425 R CA -2.024 54.055 56.100 -0.035 0.000 0.931 425 R CB 2.325 32.608 30.300 -0.029 0.000 1.206 425 R HN 0.509 nan 8.270 nan 0.000 0.474 426 P HA -0.002 nan 4.420 nan 0.000 0.270 426 P C 0.479 177.859 177.300 0.133 0.000 1.223 426 P CA -0.097 63.055 63.100 0.087 0.000 0.785 426 P CB 0.570 32.302 31.700 0.054 0.000 0.923 427 T N -2.003 112.595 114.554 0.073 0.000 3.014 427 T HA -0.027 4.323 4.350 0.001 0.000 0.263 427 T C 0.849 175.530 174.700 -0.032 0.000 1.078 427 T CA 0.439 62.550 62.100 0.018 0.000 1.135 427 T CB -0.249 68.618 68.868 -0.002 0.000 0.895 427 T HN 0.228 nan 8.240 nan 0.000 0.480 428 K N 1.925 122.321 120.400 -0.008 0.000 2.436 428 K HA 0.258 4.578 4.320 0.001 0.000 0.282 428 K C 1.196 177.780 176.600 -0.027 0.000 1.044 428 K CA 0.891 57.166 56.287 -0.020 0.000 1.028 428 K CB -0.222 32.275 32.500 -0.004 0.000 0.919 428 K HN 0.547 nan 8.250 nan 0.000 0.474 429 G N 3.297 112.064 108.800 -0.056 0.000 2.148 429 G HA2 -0.351 3.609 3.960 0.001 0.000 0.254 429 G HA3 -0.351 3.609 3.960 0.001 0.000 0.254 429 G C 0.765 175.596 174.900 -0.115 0.000 0.981 429 G CA 0.766 45.830 45.100 -0.061 0.000 0.670 429 G HN 0.836 nan 8.290 nan 0.000 0.528 430 Q N -0.329 119.357 119.800 -0.190 0.000 2.226 430 Q HA 0.003 4.344 4.340 0.001 0.000 0.204 430 Q C 2.418 178.124 176.000 -0.491 0.000 0.975 430 Q CA 1.603 57.156 55.803 -0.416 0.000 0.866 430 Q CB -0.157 28.228 28.738 -0.587 0.000 0.915 430 Q HN 0.593 nan 8.270 nan 0.000 0.440 431 I N 1.619 121.965 120.570 -0.372 0.000 2.277 431 I HA -0.177 3.993 4.170 0.001 0.000 0.243 431 I C 1.238 177.212 176.117 -0.238 0.000 1.094 431 I CA 1.397 62.466 61.300 -0.385 0.000 1.393 431 I CB 0.029 37.684 38.000 -0.576 0.000 1.078 431 I HN 0.120 nan 8.210 nan 0.000 0.417 432 D N 0.022 120.327 120.400 -0.157 0.000 2.264 432 D HA -0.220 4.421 4.640 0.001 0.000 0.208 432 D C 1.634 177.919 176.300 -0.025 0.000 0.966 432 D CA 1.103 55.071 54.000 -0.053 0.000 0.864 432 D CB -0.058 40.735 40.800 -0.012 0.000 0.933 432 D HN 0.376 nan 8.370 nan 0.000 0.499 433 D N -0.576 119.803 120.400 -0.035 0.000 2.137 433 D HA -0.090 4.550 4.640 0.001 0.000 0.202 433 D C 1.804 178.144 176.300 0.067 0.000 0.970 433 D CA 0.381 54.406 54.000 0.040 0.000 0.837 433 D CB 0.101 40.962 40.800 0.102 0.000 0.981 433 D HN 0.063 nan 8.370 nan 0.000 0.475 434 L N 0.257 121.476 121.223 -0.006 0.000 2.217 434 L HA 0.077 4.418 4.340 0.001 0.000 0.211 434 L C 1.820 178.709 176.870 0.032 0.000 1.107 434 L CA 1.217 56.084 54.840 0.046 0.000 0.783 434 L CB -0.277 41.749 42.059 -0.056 0.000 0.919 434 L HN 0.198 nan 8.230 nan 0.000 0.442 435 I N -0.509 120.063 120.570 0.003 0.000 2.163 435 I HA -0.188 3.982 4.170 0.001 0.000 0.240 435 I C 2.501 178.643 176.117 0.042 0.000 1.081 435 I CA 1.297 62.613 61.300 0.027 0.000 1.353 435 I CB -1.140 36.882 38.000 0.036 0.000 1.054 435 I HN 0.398 nan 8.210 nan 0.000 0.407 436 G N 0.423 109.247 108.800 0.041 0.000 2.469 436 G HA2 -0.234 3.726 3.960 0.001 0.000 0.220 436 G HA3 -0.234 3.726 3.960 0.001 0.000 0.220 436 G C 1.547 176.477 174.900 0.050 0.000 1.136 436 G CA 0.639 45.764 45.100 0.043 0.000 0.759 436 G HN 0.323 nan 8.290 nan 0.000 0.562 437 E N 0.256 120.496 120.200 0.067 0.000 2.106 437 E HA -0.027 4.323 4.350 0.001 0.000 0.192 437 E C 2.625 179.265 176.600 0.066 0.000 0.984 437 E CA 0.460 56.905 56.400 0.074 0.000 0.806 437 E CB -0.112 29.653 29.700 0.108 0.000 0.750 437 E HN 0.529 nan 8.360 nan 0.000 0.458 438 I N 0.986 121.594 120.570 0.064 0.000 2.252 438 I HA -0.228 3.942 4.170 0.001 0.000 0.245 438 I C 2.542 178.689 176.117 0.050 0.000 1.102 438 I CA 0.808 62.143 61.300 0.058 0.000 1.385 438 I CB -0.202 37.831 38.000 0.056 0.000 1.064 438 I HN -0.014 nan 8.210 nan 0.000 0.414 439 R N 0.548 121.075 120.500 0.046 0.000 2.091 439 R HA -0.181 4.159 4.340 0.001 0.000 0.238 439 R C 2.075 178.396 176.300 0.034 0.000 1.136 439 R CA 1.163 57.287 56.100 0.039 0.000 0.959 439 R CB -0.492 29.830 30.300 0.037 0.000 0.856 439 R HN 0.397 nan 8.270 nan 0.000 0.437 440 E N 0.541 120.762 120.200 0.034 0.000 2.150 440 E HA -0.139 4.211 4.350 0.001 0.000 0.193 440 E C 2.006 178.623 176.600 0.028 0.000 0.985 440 E CA 0.929 57.346 56.400 0.027 0.000 0.814 440 E CB 0.060 29.774 29.700 0.024 0.000 0.752 440 E HN 0.069 nan 8.360 nan 0.000 0.466 441 R N 0.145 120.667 120.500 0.037 0.000 2.066 441 R HA -0.057 4.284 4.340 0.001 0.000 0.232 441 R C 2.461 178.782 176.300 0.035 0.000 1.131 441 R CA 0.603 56.725 56.100 0.038 0.000 0.955 441 R CB -1.079 29.250 30.300 0.048 0.000 0.851 441 R HN 0.010 nan 8.270 nan 0.000 0.432 442 V N 1.529 121.465 119.914 0.038 0.000 2.231 442 V HA -0.300 3.821 4.120 0.001 0.000 0.250 442 V C 2.159 178.269 176.094 0.027 0.000 1.058 442 V CA 2.077 64.398 62.300 0.035 0.000 1.022 442 V CB -0.444 31.402 31.823 0.038 0.000 0.640 442 V HN 0.386 nan 8.190 nan 0.000 0.445 443 E N -0.224 119.991 120.200 0.024 0.000 2.130 443 E HA -0.212 4.138 4.350 0.001 0.000 0.196 443 E C 2.095 178.705 176.600 0.016 0.000 0.998 443 E CA 0.913 57.325 56.400 0.019 0.000 0.806 443 E CB -0.189 29.521 29.700 0.017 0.000 0.738 443 E HN 0.380 nan 8.360 nan 0.000 0.459 444 R N 0.871 121.382 120.500 0.018 0.000 2.356 444 R HA 0.025 4.365 4.340 0.001 0.000 0.234 444 R C 0.243 176.554 176.300 0.017 0.000 0.929 444 R CA -0.129 55.980 56.100 0.015 0.000 1.084 444 R CB -0.966 29.342 30.300 0.014 0.000 1.105 444 R HN 0.141 nan 8.270 nan 0.000 0.515 445 N N 1.524 120.235 118.700 0.020 0.000 2.738 445 N HA -0.212 4.529 4.740 0.001 0.000 0.249 445 N C -1.326 174.198 175.510 0.024 0.000 1.047 445 N CA 0.832 53.894 53.050 0.020 0.000 0.707 445 N CB -0.746 37.750 38.487 0.015 0.000 0.937 445 N HN 0.403 nan 8.380 nan 0.000 0.545 446 E N -0.386 119.832 120.200 0.030 0.000 2.359 446 E HA 0.569 4.920 4.350 0.001 0.000 0.266 446 E C -0.221 176.404 176.600 0.042 0.000 0.920 446 E CA -1.049 55.371 56.400 0.034 0.000 0.788 446 E CB 1.162 30.882 29.700 0.033 0.000 1.279 446 E HN 0.135 nan 8.360 nan 0.000 0.438 447 R N 0.270 120.798 120.500 0.046 0.000 2.782 447 R HA 0.631 4.971 4.340 0.001 0.000 0.258 447 R C -0.520 175.812 176.300 0.054 0.000 1.055 447 R CA -0.659 55.474 56.100 0.055 0.000 1.065 447 R CB 1.251 31.587 30.300 0.061 0.000 1.172 447 R HN 0.481 nan 8.270 nan 0.000 0.510 448 T N 1.054 115.642 114.554 0.057 0.000 2.900 448 T HA 0.546 4.896 4.350 0.001 0.000 0.295 448 T C -0.342 174.387 174.700 0.049 0.000 1.044 448 T CA -0.676 61.456 62.100 0.053 0.000 0.995 448 T CB 1.586 70.488 68.868 0.057 0.000 1.072 448 T HN 0.185 nan 8.240 nan 0.000 0.473 449 L N 2.547 123.795 121.223 0.042 0.000 2.333 449 L HA 0.734 5.075 4.340 0.001 0.000 0.280 449 L C -0.898 175.992 176.870 0.034 0.000 1.004 449 L CA -1.120 53.743 54.840 0.037 0.000 0.820 449 L CB 1.893 43.971 42.059 0.032 0.000 1.247 449 L HN 0.355 nan 8.230 nan 0.000 0.416 450 V N 1.291 121.225 119.914 0.032 0.000 2.540 450 V HA 0.475 4.596 4.120 0.001 0.000 0.302 450 V C 0.016 176.121 176.094 0.019 0.000 1.035 450 V CA -0.523 61.794 62.300 0.028 0.000 0.873 450 V CB 1.934 33.768 31.823 0.019 0.000 0.992 450 V HN 0.796 nan 8.190 nan 0.000 0.428 451 T N 3.089 117.653 114.554 0.018 0.000 2.807 451 T HA 0.699 5.049 4.350 0.001 0.000 0.279 451 T C -0.128 174.571 174.700 -0.001 0.000 0.993 451 T CA -0.154 61.952 62.100 0.010 0.000 0.970 451 T CB 1.254 70.129 68.868 0.012 0.000 0.950 451 T HN 0.955 nan 8.240 nan 0.000 0.441 452 T N 2.920 117.464 114.554 -0.017 0.000 2.940 452 T HA 0.517 4.867 4.350 0.001 0.000 0.288 452 T C 1.007 175.695 174.700 -0.020 0.000 1.045 452 T CA -0.919 61.162 62.100 -0.031 0.000 1.018 452 T CB 1.401 70.229 68.868 -0.065 0.000 1.151 452 T HN 0.372 nan 8.240 nan 0.000 0.529 453 L N 0.971 122.182 121.223 -0.020 0.000 2.209 453 L HA 0.244 4.585 4.340 0.001 0.000 0.207 453 L C 1.169 178.033 176.870 -0.010 0.000 1.094 453 L CA 1.372 56.208 54.840 -0.008 0.000 0.790 453 L CB -0.242 41.814 42.059 -0.005 0.000 0.932 453 L HN 1.129 nan 8.230 nan 0.000 0.447 454 T N -5.791 108.746 114.554 -0.028 0.000 2.865 454 T HA 0.286 4.637 4.350 0.001 0.000 0.294 454 T C 0.692 175.353 174.700 -0.065 0.000 1.119 454 T CA -0.768 61.312 62.100 -0.033 0.000 1.007 454 T CB 1.432 70.285 68.868 -0.026 0.000 1.225 454 T HN 0.020 nan 8.240 nan 0.000 0.515 455 K N 0.607 120.968 120.400 -0.065 0.000 2.057 455 K HA -0.097 4.223 4.320 0.001 0.000 0.207 455 K C 1.944 178.469 176.600 -0.126 0.000 1.049 455 K CA 1.294 57.520 56.287 -0.102 0.000 0.931 455 K CB -0.308 32.157 32.500 -0.060 0.000 0.714 455 K HN 0.491 nan 8.250 nan 0.000 0.440 456 K N 0.944 121.300 120.400 -0.074 0.000 2.074 456 K HA -0.101 4.219 4.320 0.001 0.000 0.209 456 K C 2.209 178.752 176.600 -0.094 0.000 1.048 456 K CA 1.678 57.925 56.287 -0.066 0.000 0.926 456 K CB -0.188 32.290 32.500 -0.038 0.000 0.713 456 K HN 0.134 nan 8.250 nan 0.000 0.444 457 M N 0.326 119.867 119.600 -0.098 0.000 2.099 457 M HA -0.056 4.425 4.480 0.001 0.000 0.262 457 M C 2.504 178.706 176.300 -0.164 0.000 1.067 457 M CA 1.724 56.959 55.300 -0.108 0.000 1.124 457 M CB -0.865 31.681 32.600 -0.089 0.000 1.353 457 M HN 0.251 nan 8.290 nan 0.000 0.410 458 A N 0.727 123.410 122.820 -0.228 0.000 1.892 458 A HA -0.214 4.107 4.320 0.001 0.000 0.218 458 A C 2.021 179.311 177.584 -0.491 0.000 1.188 458 A CA 2.127 53.933 52.037 -0.385 0.000 0.631 458 A CB -0.849 17.824 19.000 -0.544 0.000 0.822 458 A HN 0.588 nan 8.150 nan 0.000 0.447 459 E N -0.485 119.444 120.200 -0.451 0.000 2.047 459 E HA -0.166 4.184 4.350 0.001 0.000 0.191 459 E C 1.602 178.118 176.600 -0.140 0.000 0.987 459 E CA 1.116 57.326 56.400 -0.316 0.000 0.799 459 E CB -0.182 29.413 29.700 -0.175 0.000 0.752 459 E HN 0.535 nan 8.360 nan 0.000 0.449 460 D N 0.668 121.011 120.400 -0.095 0.000 2.144 460 D HA -0.145 4.495 4.640 0.001 0.000 0.199 460 D C 1.994 178.307 176.300 0.021 0.000 0.984 460 D CA 0.600 54.591 54.000 -0.014 0.000 0.834 460 D CB -0.169 40.632 40.800 0.000 0.000 0.955 460 D HN 0.064 nan 8.370 nan 0.000 0.465 461 L N 0.701 121.893 121.223 -0.052 0.000 2.046 461 L HA -0.141 4.199 4.340 0.001 0.000 0.208 461 L C 2.214 179.084 176.870 -0.000 0.000 1.077 461 L CA 1.532 56.344 54.840 -0.048 0.000 0.747 461 L CB -0.686 41.307 42.059 -0.109 0.000 0.896 461 L HN -0.061 nan 8.230 nan 0.000 0.432 462 T N -0.302 114.222 114.554 -0.049 0.000 2.622 462 T HA -0.199 4.152 4.350 0.001 0.000 0.266 462 T C 1.491 176.215 174.700 0.039 0.000 1.047 462 T CA 1.724 63.817 62.100 -0.011 0.000 1.159 462 T CB -0.423 68.425 68.868 -0.033 0.000 0.863 462 T HN 0.435 nan 8.240 nan 0.000 0.422 463 D N 0.053 120.475 120.400 0.037 0.000 2.106 463 D HA -0.120 4.520 4.640 0.001 0.000 0.191 463 D C 1.826 178.166 176.300 0.067 0.000 0.997 463 D CA 1.255 55.280 54.000 0.042 0.000 0.834 463 D CB -0.652 40.162 40.800 0.024 0.000 0.956 463 D HN 0.471 nan 8.370 nan 0.000 0.448 464 Y N 1.048 121.330 120.300 -0.029 0.000 2.298 464 Y HA -0.204 4.346 4.550 0.001 0.000 0.287 464 Y C 2.372 178.259 175.900 -0.020 0.000 1.164 464 Y CA 0.876 58.959 58.100 -0.028 0.000 1.229 464 Y CB -0.020 38.415 38.460 -0.042 0.000 0.977 464 Y HN -0.043 nan 8.280 nan 0.000 0.538 465 L N -0.583 120.758 121.223 0.196 0.000 2.131 465 L HA -0.165 4.176 4.340 0.001 0.000 0.206 465 L C 2.274 179.196 176.870 0.087 0.000 1.087 465 L CA 1.048 55.967 54.840 0.131 0.000 0.767 465 L CB -0.370 41.736 42.059 0.078 0.000 0.917 465 L HN 0.084 nan 8.230 nan 0.000 0.441 466 K N 0.226 120.666 120.400 0.066 0.000 2.057 466 K HA -0.174 4.146 4.320 0.001 0.000 0.207 466 K C 1.858 178.473 176.600 0.024 0.000 1.049 466 K CA 1.208 57.524 56.287 0.048 0.000 0.931 466 K CB -0.094 32.432 32.500 0.044 0.000 0.714 466 K HN 0.343 nan 8.250 nan 0.000 0.440 467 E N 0.341 120.540 120.200 -0.003 0.000 2.209 467 E HA -0.175 4.175 4.350 0.001 0.000 0.196 467 E C 1.551 178.135 176.600 -0.026 0.000 0.993 467 E CA 0.984 57.353 56.400 -0.050 0.000 0.819 467 E CB -0.028 29.578 29.700 -0.156 0.000 0.745 467 E HN 0.307 nan 8.360 nan 0.000 0.477 468 A N 0.104 122.937 122.820 0.021 0.000 2.275 468 A HA 0.314 4.634 4.320 0.001 0.000 0.212 468 A C 1.489 179.097 177.584 0.039 0.000 1.201 468 A CA 0.651 52.714 52.037 0.043 0.000 0.843 468 A CB 0.056 19.113 19.000 0.094 0.000 0.873 468 A HN 0.270 nan 8.150 nan 0.000 0.492 469 G N -0.656 108.164 108.800 0.035 0.000 2.171 469 G HA2 -0.201 3.760 3.960 0.001 0.000 0.238 469 G HA3 -0.201 3.760 3.960 0.001 0.000 0.238 469 G C -0.116 174.812 174.900 0.046 0.000 1.039 469 G CA 0.324 45.445 45.100 0.035 0.000 0.759 469 G HN 0.444 nan 8.290 nan 0.000 0.501 470 I N -0.250 120.354 120.570 0.057 0.000 2.441 470 I HA 0.403 4.574 4.170 0.001 0.000 0.295 470 I C -0.015 176.152 176.117 0.083 0.000 0.994 470 I CA -1.202 60.137 61.300 0.066 0.000 1.144 470 I CB 1.681 39.721 38.000 0.067 0.000 1.314 470 I HN -0.142 nan 8.210 nan 0.000 0.445 471 K N 5.248 125.709 120.400 0.101 0.000 2.278 471 K HA 0.339 4.659 4.320 0.001 0.000 0.289 471 K C -0.636 176.075 176.600 0.186 0.000 1.080 471 K CA -0.017 56.364 56.287 0.156 0.000 0.934 471 K CB 0.292 32.883 32.500 0.153 0.000 1.093 471 K HN 0.265 nan 8.250 nan 0.000 0.459 472 V N 0.836 120.837 119.914 0.144 0.000 3.193 472 V HA 0.867 4.987 4.120 0.001 0.000 0.320 472 V C -0.340 175.702 176.094 -0.087 0.000 1.112 472 V CA -1.215 61.121 62.300 0.060 0.000 1.026 472 V CB 1.875 33.725 31.823 0.044 0.000 1.128 472 V HN 0.674 nan 8.190 nan 0.000 0.452 473 A N 1.180 123.873 122.820 -0.212 0.000 2.485 473 A HA 0.569 4.889 4.320 0.001 0.000 0.285 473 A C -1.648 175.853 177.584 -0.138 0.000 1.045 473 A CA -0.420 51.337 52.037 -0.467 0.000 0.792 473 A CB 0.800 19.104 19.000 -1.160 0.000 1.307 473 A HN 0.880 nan 8.150 nan 0.000 0.406 474 Y N 3.352 123.547 120.300 -0.176 0.000 2.350 474 Y HA 0.582 5.132 4.550 0.001 0.000 0.340 474 Y C -0.595 175.269 175.900 -0.061 0.000 1.006 474 Y CA -1.264 56.784 58.100 -0.086 0.000 1.166 474 Y CB 1.144 39.581 38.460 -0.038 0.000 1.168 474 Y HN 0.659 nan 8.280 nan 0.000 0.502 475 L N 8.095 129.323 121.223 0.008 0.000 2.270 475 L HA 0.336 4.676 4.340 0.001 0.000 0.286 475 L C -0.468 176.217 176.870 -0.308 0.000 1.059 475 L CA -0.499 54.243 54.840 -0.163 0.000 0.839 475 L CB -0.122 41.926 42.059 -0.017 0.000 1.221 475 L HN 0.819 nan 8.230 nan 0.000 0.431 476 H N 2.276 120.913 119.070 -0.722 0.000 2.897 476 H HA 0.026 4.582 4.556 0.001 0.000 0.347 476 H C 1.319 176.553 175.328 -0.156 0.000 1.068 476 H CA 0.949 56.670 56.048 -0.545 0.000 1.426 476 H CB 1.192 30.666 29.762 -0.479 0.000 1.410 476 H HN 0.830 nan 8.280 nan 0.000 0.597 477 S N 2.741 118.386 115.700 -0.093 0.000 2.392 477 S HA -0.201 4.269 4.470 0.001 0.000 0.232 477 S C 0.066 174.721 174.600 0.092 0.000 1.041 477 S CA 1.802 60.016 58.200 0.024 0.000 1.026 477 S CB -0.194 63.003 63.200 -0.005 0.000 0.845 477 S HN 0.774 nan 8.310 nan 0.000 0.465 478 E N 0.003 120.317 120.200 0.190 0.000 2.235 478 E HA 0.689 5.039 4.350 0.001 0.000 0.252 478 E C -1.083 175.532 176.600 0.024 0.000 0.886 478 E CA -0.382 56.067 56.400 0.082 0.000 0.767 478 E CB 1.236 30.966 29.700 0.051 0.000 1.205 478 E HN 0.224 nan 8.360 nan 0.000 0.421 479 I N 1.831 122.397 120.570 -0.007 0.000 2.802 479 I HA 0.210 4.381 4.170 0.001 0.000 0.298 479 I C -0.926 175.170 176.117 -0.035 0.000 1.176 479 I CA -1.130 60.143 61.300 -0.044 0.000 1.025 479 I CB 2.234 40.203 38.000 -0.051 0.000 1.243 479 I HN 0.366 nan 8.210 nan 0.000 0.424 480 K N 3.894 124.268 120.400 -0.043 0.000 2.511 480 K HA 0.053 4.373 4.320 0.001 0.000 0.280 480 K C 0.821 177.408 176.600 -0.022 0.000 1.008 480 K CA 0.015 56.278 56.287 -0.039 0.000 1.050 480 K CB -0.015 32.461 32.500 -0.041 0.000 0.889 480 K HN 0.576 nan 8.250 nan 0.000 0.484 481 T N 2.764 117.305 114.554 -0.021 0.000 2.680 481 T HA -0.206 4.145 4.350 0.001 0.000 0.268 481 T C 1.652 176.355 174.700 0.005 0.000 1.033 481 T CA 1.588 63.688 62.100 0.001 0.000 1.152 481 T CB -0.160 68.712 68.868 0.007 0.000 0.859 481 T HN 0.461 nan 8.240 nan 0.000 0.452 482 L N 0.213 121.433 121.223 -0.006 0.000 2.109 482 L HA -0.011 4.329 4.340 0.001 0.000 0.207 482 L C 2.704 179.575 176.870 0.002 0.000 1.086 482 L CA 1.272 56.111 54.840 -0.001 0.000 0.760 482 L CB -0.325 41.729 42.059 -0.008 0.000 0.910 482 L HN 0.306 nan 8.230 nan 0.000 0.437 483 E N -0.120 120.077 120.200 -0.005 0.000 2.107 483 E HA -0.173 4.178 4.350 0.001 0.000 0.191 483 E C 2.343 178.949 176.600 0.009 0.000 0.982 483 E CA 0.460 56.859 56.400 -0.001 0.000 0.809 483 E CB 0.182 29.873 29.700 -0.016 0.000 0.756 483 E HN 0.307 nan 8.360 nan 0.000 0.459 484 R N 0.303 120.807 120.500 0.006 0.000 2.096 484 R HA -0.161 4.179 4.340 0.001 0.000 0.240 484 R C 2.429 178.747 176.300 0.029 0.000 1.139 484 R CA 1.421 57.529 56.100 0.014 0.000 0.952 484 R CB -0.478 29.832 30.300 0.017 0.000 0.854 484 R HN 0.298 nan 8.270 nan 0.000 0.436 485 I N 0.685 121.271 120.570 0.028 0.000 2.454 485 I HA -0.231 3.939 4.170 0.001 0.000 0.254 485 I C 2.556 178.697 176.117 0.040 0.000 1.156 485 I CA 1.114 62.433 61.300 0.033 0.000 1.433 485 I CB -0.157 37.859 38.000 0.027 0.000 1.082 485 I HN 0.219 nan 8.210 nan 0.000 0.432 486 E N 0.763 120.988 120.200 0.041 0.000 2.158 486 E HA -0.117 4.234 4.350 0.001 0.000 0.191 486 E C 2.281 178.937 176.600 0.094 0.000 0.982 486 E CA 0.850 57.282 56.400 0.052 0.000 0.823 486 E CB 0.241 29.967 29.700 0.043 0.000 0.766 486 E HN 0.485 nan 8.360 nan 0.000 0.468 487 I N 0.730 121.363 120.570 0.107 0.000 2.193 487 I HA -0.231 3.940 4.170 0.001 0.000 0.240 487 I C 2.513 178.743 176.117 0.188 0.000 1.084 487 I CA 0.742 62.153 61.300 0.185 0.000 1.365 487 I CB -0.472 37.574 38.000 0.078 0.000 1.064 487 I HN 0.088 nan 8.210 nan 0.000 0.410 488 I N 0.740 121.375 120.570 0.107 0.000 2.091 488 I HA -0.346 3.824 4.170 0.001 0.000 0.239 488 I C 2.875 179.048 176.117 0.093 0.000 1.061 488 I CA 1.507 62.862 61.300 0.093 0.000 1.317 488 I CB -0.559 37.478 38.000 0.063 0.000 1.031 488 I HN 0.215 nan 8.210 nan 0.000 0.401 489 R N 0.786 121.329 120.500 0.072 0.000 2.154 489 R HA -0.253 4.087 4.340 0.001 0.000 0.248 489 R C 1.516 177.844 176.300 0.048 0.000 1.155 489 R CA 2.330 58.461 56.100 0.050 0.000 0.979 489 R CB -0.327 29.995 30.300 0.036 0.000 0.869 489 R HN 0.413 nan 8.270 nan 0.000 0.452 490 D N -0.413 120.031 120.400 0.073 0.000 2.317 490 D HA -0.085 4.555 4.640 0.001 0.000 0.211 490 D C 1.514 177.833 176.300 0.032 0.000 0.966 490 D CA 0.248 54.253 54.000 0.008 0.000 0.876 490 D CB 0.199 40.961 40.800 -0.064 0.000 0.927 490 D HN 0.108 nan 8.370 nan 0.000 0.519 491 L N 0.467 121.782 121.223 0.153 0.000 2.095 491 L HA 0.021 4.362 4.340 0.001 0.000 0.204 491 L C 1.948 178.865 176.870 0.079 0.000 1.080 491 L CA 1.389 56.326 54.840 0.163 0.000 0.759 491 L CB -0.071 42.092 42.059 0.174 0.000 0.914 491 L HN -0.158 nan 8.230 nan 0.000 0.439 492 R N -0.644 119.892 120.500 0.061 0.000 2.080 492 R HA -0.192 4.148 4.340 0.001 0.000 0.236 492 R C 2.248 178.560 176.300 0.021 0.000 1.137 492 R CA 1.866 57.989 56.100 0.038 0.000 0.943 492 R CB -0.894 29.425 30.300 0.032 0.000 0.846 492 R HN 0.301 nan 8.270 nan 0.000 0.431 493 L N -0.391 120.836 121.223 0.007 0.000 2.265 493 L HA -0.055 4.285 4.340 0.001 0.000 0.215 493 L C 1.223 178.081 176.870 -0.019 0.000 1.117 493 L CA 1.693 56.525 54.840 -0.012 0.000 0.782 493 L CB -0.067 41.975 42.059 -0.029 0.000 0.914 493 L HN 0.620 nan 8.230 nan 0.000 0.441 494 G N -1.166 107.626 108.800 -0.013 0.000 2.134 494 G HA2 -0.354 3.606 3.960 0.001 0.000 0.209 494 G HA3 -0.354 3.606 3.960 0.001 0.000 0.209 494 G C 1.018 175.886 174.900 -0.053 0.000 0.993 494 G CA 0.550 45.645 45.100 -0.009 0.000 0.669 494 G HN 0.394 nan 8.290 nan 0.000 0.519 495 K N -0.347 119.966 120.400 -0.144 0.000 2.026 495 K HA 0.066 4.386 4.320 0.001 0.000 0.208 495 K C 0.692 177.110 176.600 -0.303 0.000 1.048 495 K CA 1.049 57.154 56.287 -0.304 0.000 0.929 495 K CB -0.121 32.081 32.500 -0.496 0.000 0.713 495 K HN 0.493 nan 8.250 nan 0.000 0.439 496 Y N 0.895 121.209 120.300 0.024 0.000 2.360 496 Y HA 0.217 4.767 4.550 0.001 0.000 0.337 496 Y C 0.374 176.292 175.900 0.030 0.000 1.039 496 Y CA -1.195 56.923 58.100 0.030 0.000 1.109 496 Y CB 1.740 40.222 38.460 0.036 0.000 1.201 496 Y HN -0.002 nan 8.280 nan 0.000 0.458 497 D N 1.300 121.808 120.400 0.180 0.000 2.305 497 D HA 0.070 4.710 4.640 0.001 0.000 0.206 497 D C -0.069 176.295 176.300 0.107 0.000 0.974 497 D CA 0.925 54.994 54.000 0.116 0.000 0.871 497 D CB 0.676 41.526 40.800 0.085 0.000 0.947 497 D HN 0.196 nan 8.370 nan 0.000 0.516 498 V N 0.906 120.889 119.914 0.115 0.000 3.078 498 V HA 0.449 4.570 4.120 0.001 0.000 0.311 498 V C -1.108 175.021 176.094 0.058 0.000 1.138 498 V CA -1.142 61.205 62.300 0.078 0.000 1.007 498 V CB 2.888 34.748 31.823 0.062 0.000 1.045 498 V HN -0.040 nan 8.190 nan 0.000 0.432 499 L N 2.842 124.089 121.223 0.041 0.000 2.476 499 L HA 0.811 5.151 4.340 0.001 0.000 0.269 499 L C -1.087 175.803 176.870 0.034 0.000 0.965 499 L CA -0.327 54.522 54.840 0.015 0.000 0.845 499 L CB 1.792 43.858 42.059 0.010 0.000 1.259 499 L HN 0.347 nan 8.230 nan 0.000 0.403 500 V N 4.315 124.257 119.914 0.046 0.000 2.407 500 V HA 0.939 5.059 4.120 0.001 0.000 0.278 500 V C 0.783 176.950 176.094 0.122 0.000 1.037 500 V CA 0.418 62.747 62.300 0.047 0.000 0.900 500 V CB 0.841 32.660 31.823 -0.006 0.000 0.983 500 V HN 1.092 nan 8.190 nan 0.000 0.459 501 G N 3.125 111.977 108.800 0.086 0.000 2.672 501 G HA2 0.625 4.585 3.960 0.001 0.000 0.292 501 G HA3 0.625 4.585 3.960 0.001 0.000 0.292 501 G C 0.115 175.056 174.900 0.068 0.000 1.375 501 G CA -0.527 44.646 45.100 0.123 0.000 0.890 501 G HN 0.500 nan 8.290 nan 0.000 0.476 502 I N -0.333 120.283 120.570 0.077 0.000 2.512 502 I HA 0.090 4.260 4.170 0.001 0.000 0.247 502 I C 0.645 176.792 176.117 0.049 0.000 1.094 502 I CA 0.250 61.576 61.300 0.044 0.000 1.427 502 I CB 0.285 38.308 38.000 0.039 0.000 1.149 502 I HN 0.343 nan 8.210 nan 0.000 0.438 503 N N 1.442 120.179 118.700 0.062 0.000 2.444 503 N HA 0.239 4.979 4.740 0.001 0.000 0.262 503 N C 0.018 175.566 175.510 0.063 0.000 0.974 503 N CA -0.015 53.076 53.050 0.068 0.000 0.933 503 N CB 1.673 40.212 38.487 0.087 0.000 1.137 503 N HN 0.151 nan 8.380 nan 0.000 0.498 504 L N 3.196 124.451 121.223 0.052 0.000 2.554 504 L HA 0.201 4.541 4.340 0.001 0.000 0.225 504 L C 1.607 178.509 176.870 0.054 0.000 1.104 504 L CA 0.158 55.026 54.840 0.048 0.000 0.866 504 L CB 0.173 42.252 42.059 0.033 0.000 1.047 504 L HN 0.484 nan 8.230 nan 0.000 0.468 505 L N -0.381 120.881 121.223 0.065 0.000 2.622 505 L HA -0.005 4.336 4.340 0.001 0.000 0.233 505 L C 1.037 177.966 176.870 0.098 0.000 1.156 505 L CA 0.183 55.072 54.840 0.081 0.000 0.866 505 L CB -0.565 41.552 42.059 0.096 0.000 0.980 505 L HN 0.177 nan 8.230 nan 0.000 0.448 506 R N 2.185 122.737 120.500 0.087 0.000 2.446 506 R HA 0.006 4.347 4.340 0.001 0.000 0.314 506 R C 0.328 176.677 176.300 0.081 0.000 1.003 506 R CA 0.021 56.173 56.100 0.087 0.000 1.018 506 R CB 0.256 30.599 30.300 0.072 0.000 0.945 506 R HN 0.181 nan 8.270 nan 0.000 0.419 507 E N 0.731 120.986 120.200 0.090 0.000 2.760 507 E HA -0.173 4.177 4.350 0.001 0.000 0.268 507 E C 1.031 177.670 176.600 0.064 0.000 0.935 507 E CA 1.700 58.148 56.400 0.081 0.000 0.960 507 E CB 0.379 30.128 29.700 0.082 0.000 0.931 507 E HN 0.909 nan 8.360 nan 0.000 0.483 508 G N 2.844 111.679 108.800 0.059 0.000 2.175 508 G HA2 -0.281 3.679 3.960 0.001 0.000 0.244 508 G HA3 -0.281 3.679 3.960 0.001 0.000 0.244 508 G C 0.715 175.644 174.900 0.048 0.000 0.982 508 G CA 0.287 45.416 45.100 0.050 0.000 0.641 508 G HN 0.492 nan 8.290 nan 0.000 0.527 509 L N 0.622 121.876 121.223 0.051 0.000 2.612 509 L HA 0.256 4.597 4.340 0.001 0.000 0.230 509 L C 0.796 177.692 176.870 0.043 0.000 1.140 509 L CA -0.042 54.827 54.840 0.047 0.000 0.896 509 L CB 0.263 42.352 42.059 0.048 0.000 1.065 509 L HN 0.102 nan 8.230 nan 0.000 0.447 510 D N 1.361 121.786 120.400 0.042 0.000 2.455 510 D HA 0.238 4.879 4.640 0.001 0.000 0.234 510 D C -0.333 175.987 176.300 0.032 0.000 1.224 510 D CA 0.357 54.379 54.000 0.037 0.000 0.999 510 D CB 0.109 40.932 40.800 0.039 0.000 1.072 510 D HN 0.080 nan 8.370 nan 0.000 0.514 511 I N 4.887 125.476 120.570 0.032 0.000 2.410 511 I HA 0.226 4.396 4.170 0.001 0.000 0.286 511 I C -1.317 174.816 176.117 0.026 0.000 1.009 511 I CA -2.107 59.211 61.300 0.031 0.000 1.111 511 I CB 2.379 40.402 38.000 0.037 0.000 1.262 511 I HN 0.154 nan 8.210 nan 0.000 0.443 512 P HA -0.143 nan 4.420 nan 0.000 0.219 512 P C 0.868 178.181 177.300 0.022 0.000 1.146 512 P CA 1.294 64.405 63.100 0.018 0.000 0.808 512 P CB 0.390 32.097 31.700 0.013 0.000 0.779 513 E N -0.606 119.610 120.200 0.026 0.000 2.347 513 E HA -0.003 4.347 4.350 0.001 0.000 0.196 513 E C 0.491 177.112 176.600 0.034 0.000 1.008 513 E CA 0.178 56.596 56.400 0.029 0.000 0.852 513 E CB -0.442 29.277 29.700 0.031 0.000 0.783 513 E HN 0.053 nan 8.360 nan 0.000 0.505 514 V N 1.613 121.548 119.914 0.035 0.000 2.470 514 V HA 0.010 4.131 4.120 0.001 0.000 0.276 514 V C 1.069 177.185 176.094 0.037 0.000 1.040 514 V CA 0.764 63.087 62.300 0.039 0.000 1.008 514 V CB 1.267 33.112 31.823 0.037 0.000 0.990 514 V HN 0.281 nan 8.190 nan 0.000 0.477 515 S N 5.015 120.741 115.700 0.042 0.000 2.526 515 S HA 0.305 4.776 4.470 0.001 0.000 0.220 515 S C -0.174 174.465 174.600 0.064 0.000 1.017 515 S CA -0.155 58.074 58.200 0.048 0.000 0.930 515 S CB 0.334 63.561 63.200 0.045 0.000 0.856 515 S HN 0.416 nan 8.310 nan 0.000 0.497 516 L N 2.087 123.345 121.223 0.058 0.000 2.381 516 L HA 0.721 5.061 4.340 0.001 0.000 0.274 516 L C -1.473 175.414 176.870 0.029 0.000 0.988 516 L CA -0.667 54.207 54.840 0.057 0.000 0.824 516 L CB 2.130 44.234 42.059 0.075 0.000 1.263 516 L HN 0.062 nan 8.230 nan 0.000 0.410 517 V N 4.824 124.734 119.914 -0.007 0.000 2.407 517 V HA 0.812 4.933 4.120 0.001 0.000 0.291 517 V C 0.052 176.125 176.094 -0.034 0.000 1.018 517 V CA -0.455 61.837 62.300 -0.014 0.000 0.842 517 V CB 1.413 33.220 31.823 -0.027 0.000 0.996 517 V HN 0.922 nan 8.190 nan 0.000 0.426 518 A N 6.675 129.500 122.820 0.009 0.000 2.292 518 A HA 0.884 5.205 4.320 0.001 0.000 0.319 518 A C -0.573 177.038 177.584 0.045 0.000 1.206 518 A CA -0.450 51.611 52.037 0.039 0.000 0.835 518 A CB 0.533 19.615 19.000 0.137 0.000 1.164 518 A HN 0.787 nan 8.150 nan 0.000 0.505 519 I N 3.693 124.285 120.570 0.036 0.000 2.420 519 I HA 0.247 4.417 4.170 0.001 0.000 0.282 519 I C -0.645 175.536 176.117 0.106 0.000 1.019 519 I CA -0.183 61.138 61.300 0.034 0.000 1.130 519 I CB 1.126 39.112 38.000 -0.023 0.000 1.262 519 I HN 0.518 nan 8.210 nan 0.000 0.454 520 L N 5.144 126.430 121.223 0.106 0.000 2.421 520 L HA 0.328 4.668 4.340 0.001 0.000 0.263 520 L C 0.467 177.365 176.870 0.046 0.000 1.122 520 L CA -0.130 54.770 54.840 0.099 0.000 0.804 520 L CB 0.371 42.437 42.059 0.010 0.000 1.150 520 L HN 0.579 nan 8.230 nan 0.000 0.457 521 D N 1.159 121.581 120.400 0.037 0.000 2.708 521 D HA -0.241 4.399 4.640 0.001 0.000 0.236 521 D C 1.078 177.385 176.300 0.013 0.000 1.146 521 D CA 0.922 54.932 54.000 0.016 0.000 0.662 521 D CB -0.630 40.170 40.800 0.001 0.000 1.059 521 D HN 0.728 nan 8.370 nan 0.000 0.428 522 A N 0.738 123.569 122.820 0.019 0.000 1.972 522 A HA -0.202 4.119 4.320 0.001 0.000 0.219 522 A C 1.794 179.370 177.584 -0.014 0.000 1.169 522 A CA 1.902 53.936 52.037 -0.006 0.000 0.635 522 A CB -0.013 18.975 19.000 -0.019 0.000 0.810 522 A HN 0.369 nan 8.150 nan 0.000 0.446 523 D N -1.087 119.310 120.400 -0.006 0.000 2.340 523 D HA 0.065 4.706 4.640 0.001 0.000 0.220 523 D C 0.291 176.587 176.300 -0.006 0.000 1.039 523 D CA 0.107 54.102 54.000 -0.009 0.000 0.866 523 D CB -0.063 40.733 40.800 -0.006 0.000 0.913 523 D HN -0.018 nan 8.370 nan 0.000 0.523 524 K N 1.214 121.612 120.400 -0.003 0.000 2.138 524 K HA 0.199 4.519 4.320 0.001 0.000 0.251 524 K C 0.730 177.331 176.600 0.002 0.000 1.015 524 K CA -0.347 55.940 56.287 -0.000 0.000 0.917 524 K CB 0.485 32.985 32.500 0.001 0.000 1.021 524 K HN 0.122 nan 8.250 nan 0.000 0.485 525 E N 0.446 120.650 120.200 0.007 0.000 2.354 525 E HA 0.466 4.817 4.350 0.001 0.000 0.269 525 E C 0.184 176.800 176.600 0.027 0.000 1.036 525 E CA -0.081 56.328 56.400 0.015 0.000 0.876 525 E CB 0.869 30.578 29.700 0.016 0.000 1.009 525 E HN 0.660 nan 8.360 nan 0.000 0.416 526 G N 1.407 110.232 108.800 0.042 0.000 2.318 526 G HA2 -0.115 3.846 3.960 0.001 0.000 0.302 526 G HA3 -0.115 3.846 3.960 0.001 0.000 0.302 526 G C -0.248 174.718 174.900 0.109 0.000 1.633 526 G CA -0.760 44.388 45.100 0.079 0.000 0.965 526 G HN 0.400 nan 8.290 nan 0.000 0.698 527 F N 1.095 121.046 119.950 0.002 0.000 2.111 527 F HA -0.104 4.423 4.527 0.001 0.000 0.300 527 F C 2.276 178.081 175.800 0.008 0.000 1.088 527 F CA 2.202 60.206 58.000 0.006 0.000 1.243 527 F CB 0.029 39.034 39.000 0.008 0.000 0.996 527 F HN 0.322 nan 8.300 nan 0.000 0.483 528 L N 0.089 121.309 121.223 -0.004 0.000 2.650 528 L HA 0.011 4.351 4.340 0.001 0.000 0.235 528 L C 1.016 177.815 176.870 -0.119 0.000 1.149 528 L CA 0.306 55.081 54.840 -0.108 0.000 0.887 528 L CB -0.370 41.699 42.059 0.017 0.000 1.021 528 L HN 0.035 nan 8.230 nan 0.000 0.441 529 R N -0.602 119.834 120.500 -0.106 0.000 2.629 529 R HA 0.180 4.520 4.340 0.001 0.000 0.408 529 R C 0.566 176.806 176.300 -0.099 0.000 1.057 529 R CA -0.016 56.034 56.100 -0.084 0.000 1.119 529 R CB 0.596 30.872 30.300 -0.040 0.000 1.403 529 R HN 0.195 nan 8.270 nan 0.000 0.576 530 S N 0.042 115.645 115.700 -0.163 0.000 2.632 530 S HA 0.043 4.514 4.470 0.001 0.000 0.267 530 S C 1.425 175.944 174.600 -0.134 0.000 1.276 530 S CA -0.340 57.776 58.200 -0.140 0.000 0.998 530 S CB 2.077 65.165 63.200 -0.186 0.000 0.953 530 S HN 0.381 nan 8.310 nan 0.000 0.547 531 E N 1.917 122.060 120.200 -0.096 0.000 2.065 531 E HA -0.319 4.031 4.350 0.001 0.000 0.201 531 E C 1.966 178.496 176.600 -0.117 0.000 1.016 531 E CA 1.497 57.843 56.400 -0.088 0.000 0.818 531 E CB -0.309 29.352 29.700 -0.065 0.000 0.749 531 E HN 0.771 nan 8.360 nan 0.000 0.453 532 R N 0.221 120.638 120.500 -0.137 0.000 2.081 532 R HA -0.051 4.289 4.340 0.001 0.000 0.235 532 R C 2.763 178.943 176.300 -0.199 0.000 1.131 532 R CA 1.667 57.667 56.100 -0.167 0.000 0.960 532 R CB -0.195 30.015 30.300 -0.150 0.000 0.856 532 R HN 0.152 nan 8.270 nan 0.000 0.436 533 S N 0.900 116.440 115.700 -0.266 0.000 2.382 533 S HA -0.074 4.396 4.470 0.001 0.000 0.228 533 S C 1.885 176.390 174.600 -0.158 0.000 1.027 533 S CA 0.929 58.971 58.200 -0.263 0.000 0.991 533 S CB -0.131 62.834 63.200 -0.391 0.000 0.823 533 S HN 0.193 nan 8.310 nan 0.000 0.469 534 L N 0.933 122.072 121.223 -0.139 0.000 1.994 534 L HA -0.106 4.234 4.340 0.001 0.000 0.208 534 L C 2.235 179.052 176.870 -0.089 0.000 1.071 534 L CA 1.261 56.041 54.840 -0.101 0.000 0.745 534 L CB -0.597 41.408 42.059 -0.090 0.000 0.892 534 L HN 0.290 nan 8.230 nan 0.000 0.431 535 I N -0.616 119.897 120.570 -0.095 0.000 2.163 535 I HA -0.316 3.854 4.170 0.001 0.000 0.243 535 I C 2.742 178.813 176.117 -0.078 0.000 1.085 535 I CA 1.183 62.432 61.300 -0.084 0.000 1.347 535 I CB -0.415 37.529 38.000 -0.094 0.000 1.044 535 I HN 0.388 nan 8.210 nan 0.000 0.408 536 Q N 0.132 119.877 119.800 -0.091 0.000 2.181 536 Q HA -0.170 4.171 4.340 0.001 0.000 0.205 536 Q C 2.234 178.214 176.000 -0.033 0.000 0.980 536 Q CA 1.966 57.735 55.803 -0.057 0.000 0.862 536 Q CB -0.734 27.980 28.738 -0.040 0.000 0.905 536 Q HN 0.535 nan 8.270 nan 0.000 0.429 537 T N 1.100 115.627 114.554 -0.045 0.000 2.896 537 T HA 0.034 4.384 4.350 0.001 0.000 0.263 537 T C 2.044 176.724 174.700 -0.034 0.000 1.050 537 T CA 0.387 62.468 62.100 -0.032 0.000 1.140 537 T CB -0.073 68.771 68.868 -0.040 0.000 0.877 537 T HN 0.138 nan 8.240 nan 0.000 0.457 538 I N 1.568 122.109 120.570 -0.047 0.000 2.286 538 I HA -0.106 4.065 4.170 0.001 0.000 0.248 538 I C 2.748 178.846 176.117 -0.033 0.000 1.115 538 I CA 1.204 62.475 61.300 -0.050 0.000 1.392 538 I CB -0.457 37.509 38.000 -0.057 0.000 1.065 538 I HN 0.312 nan 8.210 nan 0.000 0.418 539 G N 0.372 109.156 108.800 -0.026 0.000 2.535 539 G HA2 -0.193 3.767 3.960 0.001 0.000 0.218 539 G HA3 -0.193 3.767 3.960 0.001 0.000 0.218 539 G C 1.522 176.421 174.900 -0.002 0.000 1.122 539 G CA 0.177 45.270 45.100 -0.013 0.000 0.769 539 G HN 0.177 nan 8.290 nan 0.000 0.549 540 R N 0.513 121.012 120.500 -0.001 0.000 2.339 540 R HA 0.192 4.532 4.340 0.001 0.000 0.199 540 R C 1.894 178.200 176.300 0.010 0.000 1.018 540 R CA 0.603 56.709 56.100 0.010 0.000 1.036 540 R CB -0.439 29.869 30.300 0.013 0.000 0.899 540 R HN 0.350 nan 8.270 nan 0.000 0.473 541 A N -0.221 122.601 122.820 0.002 0.000 2.431 541 A HA 0.393 4.713 4.320 0.001 0.000 0.239 541 A C 1.624 179.216 177.584 0.012 0.000 1.230 541 A CA 0.396 52.438 52.037 0.008 0.000 0.928 541 A CB 0.310 19.309 19.000 -0.002 0.000 1.006 541 A HN 0.157 nan 8.150 nan 0.000 0.520 542 A N -0.161 122.663 122.820 0.007 0.000 2.238 542 A HA 0.104 4.424 4.320 0.001 0.000 0.208 542 A C 1.745 179.333 177.584 0.008 0.000 1.177 542 A CA 0.168 52.209 52.037 0.007 0.000 0.804 542 A CB -0.212 18.788 19.000 0.000 0.000 0.823 542 A HN 0.286 nan 8.150 nan 0.000 0.482 543 R N 0.201 120.708 120.500 0.012 0.000 2.300 543 R HA 0.121 4.461 4.340 0.001 0.000 0.199 543 R C 0.004 176.311 176.300 0.012 0.000 0.920 543 R CA 0.051 56.157 56.100 0.010 0.000 1.046 543 R CB -0.316 29.992 30.300 0.013 0.000 0.984 543 R HN 0.458 nan 8.270 nan 0.000 0.493 544 N N 0.303 119.013 118.700 0.017 0.000 2.362 544 N HA 0.195 4.935 4.740 0.001 0.000 0.298 544 N C 0.312 175.834 175.510 0.020 0.000 1.048 544 N CA 0.039 53.101 53.050 0.019 0.000 0.858 544 N CB 2.060 40.562 38.487 0.025 0.000 1.218 544 N HN -0.063 nan 8.380 nan 0.000 0.488 545 A N 3.238 126.068 122.820 0.017 0.000 2.131 545 A HA -0.114 4.207 4.320 0.001 0.000 0.220 545 A C 1.031 178.626 177.584 0.019 0.000 1.158 545 A CA 1.131 53.178 52.037 0.017 0.000 0.665 545 A CB -0.168 18.840 19.000 0.014 0.000 0.795 545 A HN 0.762 nan 8.150 nan 0.000 0.460 546 N N 0.196 118.909 118.700 0.023 0.000 2.214 546 N HA 0.088 4.829 4.740 0.001 0.000 0.214 546 N C 0.737 176.276 175.510 0.049 0.000 1.132 546 N CA 0.503 53.569 53.050 0.025 0.000 0.856 546 N CB 0.336 38.833 38.487 0.017 0.000 1.020 546 N HN 0.380 nan 8.380 nan 0.000 0.509 547 G N 0.770 109.601 108.800 0.052 0.000 2.187 547 G HA2 -0.062 3.899 3.960 0.001 0.000 0.239 547 G HA3 -0.062 3.899 3.960 0.001 0.000 0.239 547 G C -0.499 174.479 174.900 0.130 0.000 1.200 547 G CA 0.680 45.821 45.100 0.069 0.000 0.888 547 G HN 0.379 nan 8.290 nan 0.000 0.482 548 H N 0.423 119.489 119.070 -0.007 0.000 2.930 548 H HA 0.573 5.130 4.556 0.001 0.000 0.371 548 H C -1.156 174.158 175.328 -0.022 0.000 1.169 548 H CA -0.671 55.367 56.048 -0.015 0.000 1.157 548 H CB 2.114 31.868 29.762 -0.014 0.000 1.789 548 H HN 0.370 nan 8.280 nan 0.000 0.547 549 V N 6.110 125.647 119.914 -0.628 0.000 2.448 549 V HA 0.375 4.495 4.120 0.001 0.000 0.295 549 V C -0.069 175.662 176.094 -0.604 0.000 1.025 549 V CA -0.606 61.424 62.300 -0.449 0.000 0.859 549 V CB 1.384 33.058 31.823 -0.248 0.000 0.988 549 V HN 0.630 nan 8.190 nan 0.000 0.431 550 I N 5.381 125.711 120.570 -0.399 0.000 2.362 550 I HA 0.476 4.647 4.170 0.001 0.000 0.289 550 I C -0.273 175.600 176.117 -0.406 0.000 0.994 550 I CA -0.301 60.749 61.300 -0.418 0.000 1.158 550 I CB 1.718 39.486 38.000 -0.387 0.000 1.315 550 I HN 0.444 nan 8.210 nan 0.000 0.451 551 M N 6.213 125.572 119.600 -0.402 0.000 2.205 551 M HA 0.406 4.886 4.480 0.001 0.000 0.344 551 M C -1.391 174.685 176.300 -0.374 0.000 1.085 551 M CA -0.465 54.665 55.300 -0.283 0.000 1.001 551 M CB 1.384 33.884 32.600 -0.166 0.000 1.626 551 M HN 0.342 nan 8.290 nan 0.000 0.442 552 Y N 2.091 122.364 120.300 -0.044 0.000 2.335 552 Y HA 0.739 5.290 4.550 0.001 0.000 0.339 552 Y C 0.125 176.003 175.900 -0.036 0.000 0.987 552 Y CA -0.494 57.583 58.100 -0.039 0.000 1.140 552 Y CB 1.395 39.828 38.460 -0.043 0.000 1.173 552 Y HN 0.753 nan 8.280 nan 0.000 0.486 553 A N 1.936 124.817 122.820 0.100 0.000 2.597 553 A HA 0.402 4.722 4.320 0.001 0.000 0.292 553 A C -0.719 176.884 177.584 0.033 0.000 1.057 553 A CA -0.815 51.249 52.037 0.046 0.000 0.674 553 A CB 1.094 20.100 19.000 0.011 0.000 1.278 553 A HN 0.644 nan 8.150 nan 0.000 0.416 554 D N 0.167 120.578 120.400 0.019 0.000 2.360 554 D HA 0.203 4.843 4.640 0.001 0.000 0.210 554 D C 0.072 176.375 176.300 0.004 0.000 1.047 554 D CA 1.141 55.149 54.000 0.012 0.000 0.854 554 D CB 1.068 41.873 40.800 0.008 0.000 0.936 554 D HN 0.432 nan 8.370 nan 0.000 0.514 555 T N -0.103 114.452 114.554 0.001 0.000 2.868 555 T HA 0.520 4.870 4.350 0.001 0.000 0.306 555 T C -1.212 173.482 174.700 -0.010 0.000 1.224 555 T CA -0.518 61.579 62.100 -0.004 0.000 1.012 555 T CB 1.817 70.683 68.868 -0.004 0.000 1.221 555 T HN -0.219 nan 8.240 nan 0.000 0.499 556 I N 3.570 124.132 120.570 -0.013 0.000 2.330 556 I HA 0.278 4.448 4.170 0.001 0.000 0.286 556 I C 1.181 177.288 176.117 -0.017 0.000 1.025 556 I CA -0.501 60.788 61.300 -0.018 0.000 1.197 556 I CB 1.479 39.466 38.000 -0.020 0.000 1.358 556 I HN 0.722 nan 8.210 nan 0.000 0.467 557 T N 1.560 116.102 114.554 -0.019 0.000 2.698 557 T HA 0.142 4.493 4.350 0.001 0.000 0.295 557 T C 1.130 175.817 174.700 -0.021 0.000 1.007 557 T CA -0.396 61.693 62.100 -0.018 0.000 0.980 557 T CB 1.238 70.095 68.868 -0.019 0.000 1.036 557 T HN 0.566 nan 8.240 nan 0.000 0.526 558 K N -0.059 120.330 120.400 -0.020 0.000 2.062 558 K HA -0.073 4.248 4.320 0.001 0.000 0.205 558 K C 2.559 179.142 176.600 -0.028 0.000 1.051 558 K CA 1.141 57.415 56.287 -0.021 0.000 0.941 558 K CB -0.420 32.069 32.500 -0.018 0.000 0.719 558 K HN 0.599 nan 8.250 nan 0.000 0.440 559 S N 1.176 116.858 115.700 -0.031 0.000 2.359 559 S HA -0.193 4.278 4.470 0.001 0.000 0.224 559 S C 1.890 176.463 174.600 -0.045 0.000 1.035 559 S CA 1.761 59.937 58.200 -0.041 0.000 1.018 559 S CB -0.219 62.953 63.200 -0.047 0.000 0.876 559 S HN 0.295 nan 8.310 nan 0.000 0.448 560 M N 1.004 120.579 119.600 -0.041 0.000 2.117 560 M HA -0.098 4.382 4.480 0.001 0.000 0.262 560 M C 2.412 178.687 176.300 -0.042 0.000 1.065 560 M CA 1.283 56.556 55.300 -0.045 0.000 1.114 560 M CB -0.312 32.262 32.600 -0.042 0.000 1.361 560 M HN 0.281 nan 8.290 nan 0.000 0.408 561 E N 0.681 120.860 120.200 -0.035 0.000 2.072 561 E HA -0.159 4.192 4.350 0.001 0.000 0.191 561 E C 1.908 178.488 176.600 -0.032 0.000 0.985 561 E CA 1.163 57.544 56.400 -0.031 0.000 0.801 561 E CB -0.040 29.645 29.700 -0.025 0.000 0.750 561 E HN 0.523 nan 8.360 nan 0.000 0.452 562 I N 0.697 121.247 120.570 -0.034 0.000 2.315 562 I HA -0.228 3.942 4.170 0.001 0.000 0.248 562 I C 2.495 178.588 176.117 -0.040 0.000 1.117 562 I CA 0.862 62.141 61.300 -0.035 0.000 1.404 562 I CB -0.213 37.766 38.000 -0.035 0.000 1.071 562 I HN 0.066 nan 8.210 nan 0.000 0.419 563 A N 0.854 123.645 122.820 -0.047 0.000 1.930 563 A HA -0.132 4.189 4.320 0.001 0.000 0.217 563 A C 2.259 179.814 177.584 -0.048 0.000 1.175 563 A CA 1.385 53.390 52.037 -0.053 0.000 0.627 563 A CB -0.652 18.310 19.000 -0.064 0.000 0.815 563 A HN 0.349 nan 8.150 nan 0.000 0.443 564 I N -1.170 119.373 120.570 -0.045 0.000 2.233 564 I HA -0.231 3.939 4.170 0.001 0.000 0.243 564 I C 2.723 178.821 176.117 -0.031 0.000 1.093 564 I CA 1.369 62.644 61.300 -0.041 0.000 1.380 564 I CB -0.209 37.766 38.000 -0.042 0.000 1.067 564 I HN 0.259 nan 8.210 nan 0.000 0.413 565 Q N 0.584 120.367 119.800 -0.028 0.000 2.061 565 Q HA -0.269 4.071 4.340 0.001 0.000 0.204 565 Q C 2.026 178.013 176.000 -0.021 0.000 0.984 565 Q CA 1.766 57.556 55.803 -0.022 0.000 0.846 565 Q CB -0.198 28.527 28.738 -0.021 0.000 0.902 565 Q HN 0.309 nan 8.270 nan 0.000 0.421 566 E N -0.869 119.315 120.200 -0.027 0.000 2.085 566 E HA -0.150 4.200 4.350 0.001 0.000 0.194 566 E C 1.758 178.344 176.600 -0.023 0.000 0.994 566 E CA 1.982 58.366 56.400 -0.026 0.000 0.801 566 E CB -0.489 29.191 29.700 -0.034 0.000 0.743 566 E HN 0.358 nan 8.360 nan 0.000 0.453 567 T N 0.114 114.651 114.554 -0.027 0.000 2.708 567 T HA -0.148 4.202 4.350 0.001 0.000 0.266 567 T C 1.830 176.522 174.700 -0.014 0.000 1.037 567 T CA 1.677 63.763 62.100 -0.023 0.000 1.146 567 T CB -0.275 68.574 68.868 -0.031 0.000 0.865 567 T HN 0.140 nan 8.240 nan 0.000 0.435 568 K N 0.844 121.237 120.400 -0.012 0.000 2.057 568 K HA -0.028 4.292 4.320 0.001 0.000 0.207 568 K C 2.480 179.079 176.600 -0.001 0.000 1.049 568 K CA 1.068 57.352 56.287 -0.005 0.000 0.931 568 K CB -0.050 32.446 32.500 -0.007 0.000 0.714 568 K HN 0.105 nan 8.250 nan 0.000 0.440 569 R N 0.217 120.714 120.500 -0.004 0.000 2.081 569 R HA -0.093 4.248 4.340 0.001 0.000 0.235 569 R C 2.232 178.534 176.300 0.002 0.000 1.131 569 R CA 1.574 57.673 56.100 -0.001 0.000 0.960 569 R CB -0.016 30.281 30.300 -0.004 0.000 0.856 569 R HN 0.146 nan 8.270 nan 0.000 0.436 570 R N -0.281 120.218 120.500 -0.003 0.000 2.070 570 R HA -0.122 4.218 4.340 0.001 0.000 0.233 570 R C 2.482 178.785 176.300 0.005 0.000 1.137 570 R CA 1.600 57.698 56.100 -0.003 0.000 0.945 570 R CB -0.378 29.916 30.300 -0.011 0.000 0.845 570 R HN 0.171 nan 8.270 nan 0.000 0.430 571 R N 0.507 121.011 120.500 0.006 0.000 2.112 571 R HA -0.230 4.110 4.340 0.001 0.000 0.242 571 R C 2.215 178.530 176.300 0.025 0.000 1.137 571 R CA 2.013 58.122 56.100 0.015 0.000 0.944 571 R CB -0.365 29.944 30.300 0.015 0.000 0.857 571 R HN 0.282 nan 8.270 nan 0.000 0.435 572 A N 0.514 123.347 122.820 0.022 0.000 1.877 572 A HA -0.167 4.154 4.320 0.001 0.000 0.216 572 A C 2.186 179.795 177.584 0.042 0.000 1.186 572 A CA 1.588 53.642 52.037 0.028 0.000 0.620 572 A CB -0.544 18.469 19.000 0.020 0.000 0.822 572 A HN 0.377 nan 8.150 nan 0.000 0.443 573 I N -0.483 120.111 120.570 0.039 0.000 2.127 573 I HA -0.361 3.810 4.170 0.001 0.000 0.241 573 I C 2.845 179.011 176.117 0.083 0.000 1.075 573 I CA 1.900 63.234 61.300 0.056 0.000 1.334 573 I CB -0.381 37.641 38.000 0.036 0.000 1.040 573 I HN 0.433 nan 8.210 nan 0.000 0.405 574 Q N 0.103 119.937 119.800 0.056 0.000 2.096 574 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 574 Q C 2.142 178.216 176.000 0.122 0.000 0.982 574 Q CA 1.677 57.522 55.803 0.069 0.000 0.850 574 Q CB -0.162 28.590 28.738 0.023 0.000 0.901 574 Q HN 0.514 nan 8.270 nan 0.000 0.422 575 E N 0.463 120.716 120.200 0.088 0.000 2.072 575 E HA -0.227 4.123 4.350 0.001 0.000 0.191 575 E C 1.946 178.603 176.600 0.095 0.000 0.985 575 E CA 0.998 57.448 56.400 0.082 0.000 0.801 575 E CB 0.048 29.779 29.700 0.051 0.000 0.750 575 E HN 0.355 nan 8.360 nan 0.000 0.452 576 E N 0.227 120.484 120.200 0.095 0.000 2.085 576 E HA -0.263 4.088 4.350 0.001 0.000 0.194 576 E C 1.931 178.609 176.600 0.132 0.000 0.994 576 E CA 1.246 57.699 56.400 0.087 0.000 0.801 576 E CB -0.271 29.477 29.700 0.080 0.000 0.743 576 E HN 0.322 nan 8.360 nan 0.000 0.453 577 Y N 1.300 121.646 120.300 0.076 0.000 2.145 577 Y HA -0.241 4.309 4.550 0.001 0.000 0.286 577 Y C 1.936 177.945 175.900 0.182 0.000 1.145 577 Y CA 2.122 60.308 58.100 0.143 0.000 1.148 577 Y CB -0.181 38.331 38.460 0.086 0.000 0.981 577 Y HN 0.128 nan 8.280 nan 0.000 0.507 578 N N 0.304 119.177 118.700 0.287 0.000 2.205 578 N HA -0.190 4.550 4.740 0.001 0.000 0.186 578 N C 1.924 177.473 175.510 0.065 0.000 1.015 578 N CA 1.363 54.519 53.050 0.178 0.000 0.862 578 N CB -0.462 38.111 38.487 0.144 0.000 0.986 578 N HN 0.429 nan 8.380 nan 0.000 0.429 579 R N 1.337 121.859 120.500 0.036 0.000 2.062 579 R HA -0.022 4.318 4.340 0.001 0.000 0.229 579 R C 1.998 178.257 176.300 -0.067 0.000 1.128 579 R CA 1.123 57.219 56.100 -0.007 0.000 0.960 579 R CB -0.039 30.260 30.300 -0.001 0.000 0.855 579 R HN 0.129 nan 8.270 nan 0.000 0.432 580 K N -0.529 119.797 120.400 -0.124 0.000 2.209 580 K HA -0.174 4.147 4.320 0.001 0.000 0.204 580 K C 0.543 176.848 176.600 -0.492 0.000 1.048 580 K CA 1.793 57.901 56.287 -0.299 0.000 0.940 580 K CB 0.022 32.312 32.500 -0.349 0.000 0.729 580 K HN 0.379 nan 8.250 nan 0.000 0.451 581 H N -1.725 117.196 119.070 -0.247 0.000 2.784 581 H HA 0.268 4.824 4.556 0.001 0.000 0.273 581 H C 0.373 175.640 175.328 -0.101 0.000 1.112 581 H CA 0.325 56.248 56.048 -0.209 0.000 1.162 581 H CB 1.452 31.011 29.762 -0.338 0.000 1.586 581 H HN 0.396 nan 8.280 nan 0.000 0.548 582 G N 1.567 110.374 108.800 0.012 0.000 2.295 582 G HA2 -0.280 3.680 3.960 0.001 0.000 0.287 582 G HA3 -0.280 3.680 3.960 0.001 0.000 0.287 582 G C -0.089 174.838 174.900 0.045 0.000 1.055 582 G CA 0.090 45.202 45.100 0.020 0.000 0.922 582 G HN 0.385 nan 8.290 nan 0.000 0.503 583 I N 0.378 120.989 120.570 0.069 0.000 2.315 583 I HA 0.279 4.450 4.170 0.001 0.000 0.291 583 I C 0.567 176.721 176.117 0.062 0.000 1.006 583 I CA -0.716 60.632 61.300 0.080 0.000 1.265 583 I CB 1.558 39.640 38.000 0.136 0.000 1.387 583 I HN -0.131 nan 8.210 nan 0.000 0.475 584 V N 8.790 128.731 119.914 0.045 0.000 2.383 584 V HA 0.243 4.363 4.120 0.001 0.000 0.275 584 V C -2.056 174.058 176.094 0.033 0.000 1.036 584 V CA -1.681 60.640 62.300 0.034 0.000 0.889 584 V CB 1.158 32.994 31.823 0.023 0.000 0.985 584 V HN 0.602 nan 8.190 nan 0.000 0.459 585 P HA 0.278 nan 4.420 nan 0.000 0.267 585 P C -0.659 176.652 177.300 0.018 0.000 1.209 585 P CA -0.028 63.088 63.100 0.027 0.000 0.763 585 P CB 0.294 32.010 31.700 0.027 0.000 0.816 586 R N 0.621 121.129 120.500 0.012 0.000 2.725 586 R HA 0.564 4.904 4.340 0.001 0.000 0.277 586 R C -0.892 175.410 176.300 0.004 0.000 0.987 586 R CA -0.828 55.276 56.100 0.008 0.000 0.901 586 R CB 0.231 30.535 30.300 0.006 0.000 1.207 586 R HN 0.138 nan 8.270 nan 0.000 0.463 587 T N 2.362 116.919 114.554 0.005 0.000 2.829 587 T HA 0.072 4.423 4.350 0.001 0.000 0.293 587 T C 0.785 175.485 174.700 -0.001 0.000 0.970 587 T CA -0.385 61.717 62.100 0.004 0.000 1.168 587 T CB 0.171 69.044 68.868 0.007 0.000 0.911 587 T HN 0.412 nan 8.240 nan 0.000 0.535 588 V N 2.164 122.074 119.914 -0.006 0.000 2.557 588 V HA 0.181 4.302 4.120 0.001 0.000 0.301 588 V C 0.664 176.753 176.094 -0.008 0.000 1.026 588 V CA -0.741 61.552 62.300 -0.012 0.000 1.137 588 V CB -0.177 31.637 31.823 -0.016 0.000 0.917 588 V HN 0.512 nan 8.190 nan 0.000 0.484 589 K N 4.103 124.497 120.400 -0.010 0.000 2.237 589 K HA 0.472 4.792 4.320 0.001 0.000 0.270 589 K C -0.415 176.181 176.600 -0.007 0.000 1.015 589 K CA -0.101 56.182 56.287 -0.007 0.000 0.949 589 K CB 0.711 33.207 32.500 -0.007 0.000 0.976 589 K HN 0.887 nan 8.250 nan 0.000 0.472 590 K N 2.393 122.791 120.400 -0.003 0.000 2.525 590 K HA 0.147 4.467 4.320 0.001 0.000 0.254 590 K C -1.130 175.470 176.600 -0.000 0.000 0.934 590 K CA -0.803 55.483 56.287 -0.002 0.000 0.802 590 K CB 1.542 34.042 32.500 0.001 0.000 1.295 590 K HN 0.686 nan 8.250 nan 0.000 0.433 591 E N 3.188 123.387 120.200 -0.002 0.000 2.338 591 E HA 0.218 4.568 4.350 0.001 0.000 0.272 591 E C -0.406 176.195 176.600 0.002 0.000 1.029 591 E CA -0.285 56.114 56.400 -0.001 0.000 0.872 591 E CB 0.730 30.428 29.700 -0.003 0.000 1.015 591 E HN 0.336 nan 8.360 nan 0.000 0.417 592 I N 3.799 124.371 120.570 0.002 0.000 2.312 592 I HA 0.196 4.366 4.170 0.001 0.000 0.291 592 I C 0.802 176.921 176.117 0.003 0.000 1.031 592 I CA -0.887 60.416 61.300 0.005 0.000 1.293 592 I CB 0.375 38.377 38.000 0.005 0.000 1.403 592 I HN 0.400 nan 8.210 nan 0.000 0.484 593 R N 4.455 124.958 120.500 0.005 0.000 2.738 593 R HA 0.175 4.515 4.340 0.001 0.000 0.275 593 R C -0.391 175.911 176.300 0.003 0.000 1.121 593 R CA -0.337 55.765 56.100 0.003 0.000 1.207 593 R CB 0.634 30.937 30.300 0.005 0.000 1.141 593 R HN 0.566 nan 8.270 nan 0.000 0.571 594 D N -0.712 119.689 120.400 0.002 0.000 2.735 594 D HA 0.093 4.733 4.640 0.001 0.000 0.267 594 D C 0.286 176.587 176.300 0.002 0.000 1.081 594 D CA 0.347 54.348 54.000 0.001 0.000 0.980 594 D CB 0.360 41.160 40.800 -0.001 0.000 1.129 594 D HN 0.179 nan 8.370 nan 0.000 0.459 595 V N 0.000 119.915 119.914 0.002 0.000 2.409 595 V HA 0.000 4.120 4.120 0.001 0.000 0.244 595 V CA 0.000 62.302 62.300 0.003 0.000 1.235 595 V CB 0.000 31.824 31.823 0.001 0.000 1.184 595 V HN 0.000 nan 8.190 nan 0.000 0.556