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 3ol7_1_I DATA FIRST_RESID 1 DATA SEQUENCE GEIQWMRPSK EVGYPIINAP SKTKLEPSAF HYVFEGVKEP AVLTKNDPRL DATA SEQUENCE KTDFEEAIFS KYVGNKITEV DEYMKEAVDH YAGQLMSLDI NTEQMCLEDA DATA SEQUENCE MYGTDGLEAL DLSTSAGYPY VAMGKKKRDI LNKQTRDTKE MQKLLDTYGI DATA SEQUENCE NLPLVTYVKD ELRSKTKVEQ GKSRLIEASS LNDSVAMRMA FGNLYAAFHK DATA SEQUENCE NPGVITGSAV GCDPDLFWSK IPVLMEEKLF AFDYTGYDAS LSPAWFEALK DATA SEQUENCE MVLEKIGFGD RVDYIDYLNH SHHLYKNKTY CVKGGMPSGC SGTSIFNSMI DATA SEQUENCE NNLIIRTLLL KTYKGIDLDH LKMIAYGDDV IASYPHEVDA SLLAQSGKDY DATA SEQUENCE GLTMTPADKS ATFETVTWEN VTFLKRFFRA DEKYPFLIHP VMPMKEIHES DATA SEQUENCE IRWTKDPRNT QDHVRSLCLL AWHNGEEEYN KFLAKIRSVP IGRALDLPEY DATA SEQUENCE STLYRRWLDS F 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 1 G C 0.000 174.943 174.900 0.072 0.000 0.946 1 G CA 0.000 45.156 45.100 0.093 0.000 0.502 2 E N 2.469 122.645 120.200 -0.040 0.000 2.293 2 E HA 0.555 4.906 4.350 0.001 0.000 0.270 2 E C 0.103 176.591 176.600 -0.186 0.000 0.879 2 E CA -1.002 55.359 56.400 -0.064 0.000 0.756 2 E CB 1.828 31.525 29.700 -0.006 0.000 1.208 2 E HN 0.469 nan 8.360 nan 0.000 0.428 3 I N 3.677 124.108 120.570 -0.232 0.000 2.692 3 I HA -0.050 4.121 4.170 0.001 0.000 0.284 3 I C 1.198 177.216 176.117 -0.167 0.000 1.159 3 I CA -0.243 60.895 61.300 -0.271 0.000 1.423 3 I CB 0.669 38.486 38.000 -0.305 0.000 1.380 3 I HN 0.594 nan 8.210 nan 0.000 0.580 4 Q N 5.474 125.158 119.800 -0.193 0.000 2.141 4 Q HA 0.087 4.428 4.340 0.001 0.000 0.194 4 Q C 0.512 176.574 176.000 0.104 0.000 0.975 4 Q CA 1.191 56.984 55.803 -0.017 0.000 0.834 4 Q CB 0.129 28.923 28.738 0.093 0.000 0.916 4 Q HN 0.785 nan 8.270 nan 0.000 0.484 5 W N -1.024 120.245 121.300 -0.052 0.000 3.630 5 W HA 0.759 5.419 4.660 0.001 0.000 0.433 5 W C -0.314 176.182 176.519 -0.037 0.000 1.279 5 W CA -0.803 56.518 57.345 -0.040 0.000 0.929 5 W CB 0.586 30.036 29.460 -0.018 0.000 2.266 5 W HN -0.128 nan 8.180 nan 0.000 0.658 6 M N 2.150 121.965 119.600 0.359 0.000 2.638 6 M HA 0.093 4.573 4.480 0.001 0.000 0.140 6 M C -1.213 175.205 176.300 0.196 0.000 0.876 6 M CA -0.032 55.369 55.300 0.168 0.000 0.677 6 M CB 1.401 33.975 32.600 -0.043 0.000 2.797 6 M HN 0.753 nan 8.290 nan 0.000 0.339 7 R N 2.151 122.801 120.500 0.251 0.000 2.710 7 R HA 0.866 5.207 4.340 0.001 0.000 0.270 7 R C -3.214 173.185 176.300 0.165 0.000 1.021 7 R CA -1.565 54.636 56.100 0.168 0.000 0.889 7 R CB 0.779 31.163 30.300 0.139 0.000 1.243 7 R HN 0.106 nan 8.270 nan 0.000 0.464 8 P HA -0.062 nan 4.420 nan 0.000 0.261 8 P C 0.060 177.439 177.300 0.132 0.000 1.165 8 P CA 0.532 63.697 63.100 0.109 0.000 0.759 8 P CB 0.696 32.440 31.700 0.074 0.000 0.772 9 S N 3.057 118.845 115.700 0.146 0.000 2.359 9 S HA -0.231 4.240 4.470 0.001 0.000 0.223 9 S C 1.501 176.176 174.600 0.124 0.000 1.039 9 S CA 1.575 59.886 58.200 0.185 0.000 1.042 9 S CB -0.438 62.868 63.200 0.177 0.000 0.915 9 S HN 0.544 nan 8.310 nan 0.000 0.439 10 K N 1.142 121.595 120.400 0.088 0.000 2.063 10 K HA -0.135 4.186 4.320 0.001 0.000 0.208 10 K C 1.825 178.439 176.600 0.024 0.000 1.048 10 K CA 1.277 57.594 56.287 0.051 0.000 0.928 10 K CB -0.193 32.334 32.500 0.046 0.000 0.713 10 K HN 0.415 nan 8.250 nan 0.000 0.442 11 E N 0.946 121.168 120.200 0.036 0.000 2.445 11 E HA -0.091 4.259 4.350 0.001 0.000 0.204 11 E C -0.103 176.499 176.600 0.003 0.000 1.194 11 E CA 0.154 56.565 56.400 0.019 0.000 0.950 11 E CB 0.124 29.844 29.700 0.033 0.000 0.976 11 E HN 0.009 nan 8.360 nan 0.000 0.519 12 V N -0.997 118.904 119.914 -0.021 0.000 4.500 12 V HA 0.132 4.253 4.120 0.001 0.000 0.499 12 V C 0.624 176.553 176.094 -0.274 0.000 1.864 12 V CA 0.291 62.534 62.300 -0.095 0.000 2.141 12 V CB 0.872 32.700 31.823 0.010 0.000 1.043 12 V HN 0.395 nan 8.190 nan 0.000 0.481 13 G N 0.086 108.777 108.800 -0.182 0.000 2.195 13 G HA2 -0.282 3.678 3.960 0.001 0.000 0.246 13 G HA3 -0.282 3.678 3.960 0.001 0.000 0.246 13 G C -0.092 174.720 174.900 -0.147 0.000 0.984 13 G CA 0.370 45.346 45.100 -0.205 0.000 0.633 13 G HN 0.428 nan 8.290 nan 0.000 0.525 14 Y N 1.583 121.904 120.300 0.035 0.000 2.374 14 Y HA 0.596 5.146 4.550 0.001 0.000 0.322 14 Y C -1.585 174.340 175.900 0.042 0.000 1.275 14 Y CA -2.319 55.790 58.100 0.014 0.000 1.307 14 Y CB 0.852 39.263 38.460 -0.080 0.000 1.282 14 Y HN 0.039 nan 8.280 nan 0.000 0.509 15 P HA 0.374 nan 4.420 nan 0.000 0.281 15 P C -0.798 176.567 177.300 0.109 0.000 1.281 15 P CA -0.489 62.710 63.100 0.164 0.000 0.811 15 P CB 1.188 32.992 31.700 0.173 0.000 1.154 16 I N 0.568 121.185 120.570 0.078 0.000 2.396 16 I HA 0.379 4.550 4.170 0.001 0.000 0.292 16 I C 0.228 176.363 176.117 0.031 0.000 0.999 16 I CA -0.416 60.911 61.300 0.046 0.000 1.310 16 I CB 0.411 38.435 38.000 0.041 0.000 1.404 16 I HN 0.066 nan 8.210 nan 0.000 0.496 17 I N 5.616 126.180 120.570 -0.010 0.000 2.542 17 I HA 0.248 4.418 4.170 0.001 0.000 0.278 17 I C -0.966 175.113 176.117 -0.062 0.000 1.069 17 I CA -0.599 60.693 61.300 -0.013 0.000 1.100 17 I CB 0.847 38.832 38.000 -0.024 0.000 1.204 17 I HN 0.508 nan 8.210 nan 0.000 0.470 18 N N 5.376 124.070 118.700 -0.011 0.000 2.422 18 N HA 0.567 5.308 4.740 0.001 0.000 0.266 18 N C -0.020 175.529 175.510 0.065 0.000 1.007 18 N CA -0.324 52.714 53.050 -0.020 0.000 0.941 18 N CB 2.282 40.766 38.487 -0.006 0.000 1.115 18 N HN 0.602 nan 8.380 nan 0.000 0.492 19 A N 3.153 126.037 122.820 0.108 0.000 2.280 19 A HA 0.563 4.884 4.320 0.001 0.000 0.268 19 A C -1.775 175.868 177.584 0.098 0.000 1.111 19 A CA -0.842 51.315 52.037 0.201 0.000 0.814 19 A CB -0.647 18.577 19.000 0.374 0.000 1.093 19 A HN 0.452 nan 8.150 nan 0.000 0.498 20 P HA 0.139 nan 4.420 nan 0.000 0.270 20 P C 0.299 177.628 177.300 0.050 0.000 1.227 20 P CA 0.313 63.440 63.100 0.045 0.000 0.788 20 P CB 0.474 32.189 31.700 0.025 0.000 0.926 21 S N -1.540 114.182 115.700 0.037 0.000 2.664 21 S HA 0.310 4.780 4.470 0.001 0.000 0.245 21 S C 0.002 174.615 174.600 0.020 0.000 1.019 21 S CA -0.424 57.798 58.200 0.036 0.000 0.996 21 S CB -0.376 62.845 63.200 0.035 0.000 0.878 21 S HN 0.364 nan 8.310 nan 0.000 0.493 22 K N 1.683 122.092 120.400 0.016 0.000 2.525 22 K HA 0.371 4.691 4.320 0.001 0.000 0.254 22 K C -0.662 175.937 176.600 -0.002 0.000 0.934 22 K CA -0.591 55.699 56.287 0.005 0.000 0.802 22 K CB 1.809 34.315 32.500 0.010 0.000 1.295 22 K HN 0.296 nan 8.250 nan 0.000 0.433 23 T N -0.483 114.062 114.554 -0.016 0.000 2.906 23 T HA 0.059 4.409 4.350 0.001 0.000 0.320 23 T C 0.840 175.534 174.700 -0.010 0.000 1.088 23 T CA -0.251 61.831 62.100 -0.029 0.000 1.120 23 T CB 0.566 69.395 68.868 -0.066 0.000 1.000 23 T HN 0.437 nan 8.240 nan 0.000 0.550 24 K N 1.099 121.491 120.400 -0.014 0.000 2.459 24 K HA 0.174 4.494 4.320 0.001 0.000 0.193 24 K C 0.552 177.169 176.600 0.028 0.000 1.030 24 K CA 0.133 56.423 56.287 0.005 0.000 1.026 24 K CB -0.156 32.342 32.500 -0.004 0.000 0.809 24 K HN 0.626 nan 8.250 nan 0.000 0.504 25 L N 3.048 124.277 121.223 0.010 0.000 2.385 25 L HA 0.043 4.383 4.340 0.001 0.000 0.281 25 L C -0.035 176.957 176.870 0.204 0.000 1.106 25 L CA 0.165 55.039 54.840 0.056 0.000 0.856 25 L CB 0.117 42.089 42.059 -0.146 0.000 1.186 25 L HN 0.055 nan 8.230 nan 0.000 0.453 26 E N 4.677 125.057 120.200 0.300 0.000 2.244 26 E HA 0.493 4.844 4.350 0.001 0.000 0.266 26 E C -2.569 174.255 176.600 0.373 0.000 0.914 26 E CA -2.471 54.118 56.400 0.314 0.000 0.794 26 E CB 1.058 30.846 29.700 0.146 0.000 1.210 26 E HN 0.257 nan 8.360 nan 0.000 0.414 27 P HA -0.052 nan 4.420 nan 0.000 0.267 27 P C -0.710 176.546 177.300 -0.073 0.000 1.200 27 P CA 0.078 63.016 63.100 -0.270 0.000 0.772 27 P CB 0.640 31.792 31.700 -0.913 0.000 0.855 28 S N 1.299 116.991 115.700 -0.013 0.000 2.718 28 S HA 0.593 5.063 4.470 0.001 0.000 0.300 28 S C 1.446 175.994 174.600 -0.088 0.000 1.117 28 S CA -0.124 58.092 58.200 0.026 0.000 1.002 28 S CB 1.126 64.433 63.200 0.179 0.000 1.092 28 S HN 0.415 nan 8.310 nan 0.000 0.542 29 A N 0.585 123.255 122.820 -0.250 0.000 1.985 29 A HA -0.110 4.210 4.320 0.001 0.000 0.223 29 A C 1.187 178.486 177.584 -0.475 0.000 1.189 29 A CA 1.808 53.553 52.037 -0.486 0.000 0.658 29 A CB -1.226 17.263 19.000 -0.851 0.000 0.820 29 A HN 0.827 nan 8.150 nan 0.000 0.464 30 F N -1.812 118.163 119.950 0.043 0.000 2.645 30 F HA 0.227 4.754 4.527 0.001 0.000 0.300 30 F C 1.545 177.373 175.800 0.047 0.000 1.115 30 F CA 0.280 58.346 58.000 0.109 0.000 1.355 30 F CB -0.813 38.289 39.000 0.171 0.000 1.026 30 F HN 0.379 nan 8.300 nan 0.000 0.536 31 H N -0.870 118.130 119.070 -0.116 0.000 2.387 31 H HA -0.158 4.398 4.556 0.001 0.000 0.299 31 H C 1.393 176.432 175.328 -0.481 0.000 1.090 31 H CA 2.179 57.968 56.048 -0.431 0.000 1.332 31 H CB 0.014 29.329 29.762 -0.744 0.000 1.386 31 H HN 0.350 nan 8.280 nan 0.000 0.516 32 Y N -1.841 118.506 120.300 0.079 0.000 2.509 32 Y HA 0.036 4.586 4.550 0.001 0.000 0.270 32 Y C 2.344 178.230 175.900 -0.025 0.000 1.103 32 Y CA 0.248 58.361 58.100 0.022 0.000 1.278 32 Y CB 0.445 38.914 38.460 0.016 0.000 1.087 32 Y HN 0.026 nan 8.280 nan 0.000 0.542 33 V N -0.150 119.824 119.914 0.100 0.000 2.287 33 V HA -0.258 3.863 4.120 0.001 0.000 0.248 33 V C 0.622 176.538 176.094 -0.298 0.000 1.053 33 V CA 1.568 63.804 62.300 -0.108 0.000 1.027 33 V CB -0.595 31.166 31.823 -0.103 0.000 0.646 33 V HN 0.094 nan 8.190 nan 0.000 0.447 34 F N -1.089 118.810 119.950 -0.085 0.000 2.509 34 F HA 0.546 5.074 4.527 0.001 0.000 0.334 34 F C 0.529 176.230 175.800 -0.165 0.000 1.060 34 F CA -0.930 56.963 58.000 -0.178 0.000 0.997 34 F CB 0.913 39.789 39.000 -0.206 0.000 1.271 34 F HN -0.112 nan 8.300 nan 0.000 0.488 35 E N -0.462 119.775 120.200 0.061 0.000 2.239 35 E HA 0.738 5.089 4.350 0.001 0.000 0.261 35 E C -0.639 175.992 176.600 0.053 0.000 1.016 35 E CA -0.902 55.516 56.400 0.029 0.000 0.882 35 E CB 2.010 31.734 29.700 0.040 0.000 1.190 35 E HN 0.801 nan 8.360 nan 0.000 0.415 36 G N -0.619 108.204 108.800 0.039 0.000 2.380 36 G HA2 0.197 4.158 3.960 0.001 0.000 0.305 36 G HA3 0.197 4.158 3.960 0.001 0.000 0.305 36 G C -0.479 174.477 174.900 0.095 0.000 1.672 36 G CA -0.464 44.683 45.100 0.079 0.000 0.904 36 G HN 0.493 nan 8.290 nan 0.000 0.686 37 V N -1.701 118.277 119.914 0.108 0.000 3.252 37 V HA 0.540 4.661 4.120 0.001 0.000 0.350 37 V C 0.385 176.555 176.094 0.127 0.000 1.329 37 V CA -0.178 62.187 62.300 0.109 0.000 1.258 37 V CB -0.702 31.169 31.823 0.081 0.000 1.208 37 V HN 0.434 nan 8.190 nan 0.000 0.462 38 K N 1.962 122.470 120.400 0.180 0.000 2.323 38 K HA 0.601 4.922 4.320 0.001 0.000 0.259 38 K C -0.404 176.323 176.600 0.212 0.000 0.947 38 K CA -0.341 56.033 56.287 0.146 0.000 0.819 38 K CB 2.036 34.594 32.500 0.097 0.000 1.109 38 K HN 0.695 nan 8.250 nan 0.000 0.429 39 E N 2.731 122.960 120.200 0.049 0.000 2.316 39 E HA 0.453 4.803 4.350 0.001 0.000 0.258 39 E C -2.664 173.709 176.600 -0.377 0.000 0.952 39 E CA -2.638 53.692 56.400 -0.117 0.000 0.818 39 E CB 0.716 30.471 29.700 0.091 0.000 1.260 39 E HN 0.134 nan 8.360 nan 0.000 0.416 40 P HA -0.070 nan 4.420 nan 0.000 0.271 40 P C -0.878 176.298 177.300 -0.208 0.000 1.228 40 P CA 0.302 63.166 63.100 -0.393 0.000 0.797 40 P CB 0.306 31.809 31.700 -0.329 0.000 0.914 41 A N 1.180 123.906 122.820 -0.156 0.000 2.286 41 A HA 0.343 4.663 4.320 0.001 0.000 0.286 41 A C -0.339 177.186 177.584 -0.097 0.000 1.097 41 A CA -0.533 51.446 52.037 -0.096 0.000 0.821 41 A CB 0.135 19.101 19.000 -0.056 0.000 1.076 41 A HN 0.348 nan 8.150 nan 0.000 0.490 42 V N 2.530 122.375 119.914 -0.115 0.000 2.450 42 V HA 0.007 4.127 4.120 0.001 0.000 0.281 42 V C 0.739 176.727 176.094 -0.177 0.000 1.019 42 V CA 0.250 62.406 62.300 -0.240 0.000 1.062 42 V CB 0.452 32.009 31.823 -0.445 0.000 0.979 42 V HN 0.791 nan 8.190 nan 0.000 0.477 43 L N 4.527 125.672 121.223 -0.130 0.000 2.425 43 L HA 0.206 4.546 4.340 0.001 0.000 0.215 43 L C 1.246 178.199 176.870 0.138 0.000 1.065 43 L CA 1.152 56.025 54.840 0.054 0.000 0.842 43 L CB -0.165 41.919 42.059 0.041 0.000 1.033 43 L HN 0.896 nan 8.230 nan 0.000 0.474 44 T N -3.793 110.727 114.554 -0.057 0.000 2.888 44 T HA 0.342 4.693 4.350 0.001 0.000 0.288 44 T C 0.606 175.209 174.700 -0.161 0.000 1.063 44 T CA -0.736 61.398 62.100 0.056 0.000 1.010 44 T CB 1.885 70.781 68.868 0.048 0.000 1.214 44 T HN 0.079 nan 8.240 nan 0.000 0.533 45 K N -0.079 120.374 120.400 0.088 0.000 2.353 45 K HA 0.114 4.435 4.320 0.001 0.000 0.195 45 K C -0.022 176.586 176.600 0.014 0.000 1.031 45 K CA -0.207 56.115 56.287 0.059 0.000 1.079 45 K CB -0.014 32.675 32.500 0.314 0.000 0.857 45 K HN 0.324 nan 8.250 nan 0.000 0.535 46 N N 2.967 121.676 118.700 0.015 0.000 3.303 46 N HA 0.021 4.762 4.740 0.001 0.000 0.304 46 N C -1.292 174.199 175.510 -0.032 0.000 1.302 46 N CA 0.252 53.304 53.050 0.002 0.000 1.213 46 N CB 0.307 38.806 38.487 0.020 0.000 1.481 46 N HN 0.279 nan 8.380 nan 0.000 0.546 47 D N -0.039 120.319 120.400 -0.070 0.000 2.462 47 D HA 0.326 4.966 4.640 0.001 0.000 0.245 47 D C -1.632 174.630 176.300 -0.063 0.000 1.122 47 D CA -2.127 51.819 54.000 -0.091 0.000 0.864 47 D CB 1.661 42.353 40.800 -0.180 0.000 1.098 47 D HN -0.032 nan 8.370 nan 0.000 0.541 48 P HA -0.220 nan 4.420 nan 0.000 0.219 48 P C 0.682 177.971 177.300 -0.019 0.000 1.153 48 P CA 1.321 64.411 63.100 -0.017 0.000 0.865 48 P CB 0.173 31.869 31.700 -0.006 0.000 0.788 49 R N -1.527 118.955 120.500 -0.031 0.000 2.323 49 R HA 0.125 4.466 4.340 0.001 0.000 0.198 49 R C 0.691 176.972 176.300 -0.031 0.000 0.988 49 R CA -0.116 55.970 56.100 -0.023 0.000 1.041 49 R CB -0.502 29.785 30.300 -0.023 0.000 0.926 49 R HN 0.267 nan 8.270 nan 0.000 0.476 50 L N 1.432 122.628 121.223 -0.045 0.000 2.416 50 L HA 0.047 4.388 4.340 0.001 0.000 0.272 50 L C 0.880 177.745 176.870 -0.007 0.000 1.161 50 L CA 0.571 55.388 54.840 -0.038 0.000 0.845 50 L CB 0.734 42.762 42.059 -0.051 0.000 1.119 50 L HN 0.011 nan 8.230 nan 0.000 0.464 51 K N 1.387 121.789 120.400 0.004 0.000 2.676 51 K HA 0.275 4.595 4.320 0.001 0.000 0.205 51 K C -0.422 176.192 176.600 0.023 0.000 1.084 51 K CA -0.042 56.253 56.287 0.013 0.000 1.057 51 K CB 1.014 33.522 32.500 0.013 0.000 0.791 51 K HN 0.645 nan 8.250 nan 0.000 0.484 52 T N -0.516 114.057 114.554 0.032 0.000 2.717 52 T HA -0.033 4.317 4.350 0.001 0.000 0.315 52 T C -2.113 172.631 174.700 0.074 0.000 1.746 52 T CA -0.818 61.310 62.100 0.046 0.000 1.001 52 T CB 1.248 70.142 68.868 0.044 0.000 1.673 52 T HN 0.118 nan 8.240 nan 0.000 0.498 53 D N 1.875 122.323 120.400 0.079 0.000 2.412 53 D HA 0.164 4.804 4.640 0.001 0.000 0.257 53 D C 0.971 177.379 176.300 0.179 0.000 1.217 53 D CA -0.128 53.937 54.000 0.109 0.000 0.897 53 D CB 0.122 40.966 40.800 0.073 0.000 1.132 53 D HN 0.346 nan 8.370 nan 0.000 0.493 54 F N 3.871 123.832 119.950 0.018 0.000 1.993 54 F HA -0.168 4.359 4.527 0.001 0.000 0.297 54 F C 1.828 177.634 175.800 0.011 0.000 1.177 54 F CA 1.703 59.711 58.000 0.013 0.000 1.182 54 F CB -0.574 38.444 39.000 0.031 0.000 0.958 54 F HN 0.551 nan 8.300 nan 0.000 0.496 55 E N -0.359 119.785 120.200 -0.093 0.000 2.273 55 E HA -0.293 4.057 4.350 0.001 0.000 0.198 55 E C 1.979 178.565 176.600 -0.023 0.000 1.002 55 E CA 1.340 57.629 56.400 -0.185 0.000 0.828 55 E CB -0.351 29.320 29.700 -0.048 0.000 0.747 55 E HN 0.601 nan 8.360 nan 0.000 0.491 56 E N 0.263 120.467 120.200 0.006 0.000 2.358 56 E HA -0.066 4.284 4.350 0.001 0.000 0.195 56 E C 1.731 178.330 176.600 -0.001 0.000 1.010 56 E CA 0.710 57.119 56.400 0.014 0.000 0.856 56 E CB 0.140 29.853 29.700 0.022 0.000 0.795 56 E HN 0.235 nan 8.360 nan 0.000 0.504 57 A N 0.952 123.762 122.820 -0.016 0.000 1.956 57 A HA 0.053 4.373 4.320 0.001 0.000 0.212 57 A C 2.141 179.653 177.584 -0.119 0.000 1.188 57 A CA 0.615 52.642 52.037 -0.016 0.000 0.675 57 A CB -0.439 18.610 19.000 0.082 0.000 0.845 57 A HN 0.466 nan 8.150 nan 0.000 0.455 58 I N -4.767 115.632 120.570 -0.284 0.000 2.500 58 I HA 0.057 4.227 4.170 0.001 0.000 0.252 58 I C 1.563 177.292 176.117 -0.646 0.000 1.142 58 I CA 1.317 62.316 61.300 -0.502 0.000 1.451 58 I CB -0.416 37.103 38.000 -0.801 0.000 1.093 58 I HN 0.094 nan 8.210 nan 0.000 0.430 59 F N 2.048 121.787 119.950 -0.351 0.000 2.765 59 F HA 0.130 4.657 4.527 0.001 0.000 0.302 59 F C 2.708 178.365 175.800 -0.237 0.000 1.111 59 F CA 0.579 58.374 58.000 -0.340 0.000 1.359 59 F CB -0.293 38.530 39.000 -0.295 0.000 1.097 59 F HN 0.160 nan 8.300 nan 0.000 0.577 60 S N 1.071 116.730 115.700 -0.068 0.000 2.500 60 S HA -0.217 4.253 4.470 0.001 0.000 0.239 60 S C 1.993 176.557 174.600 -0.061 0.000 0.989 60 S CA 1.239 59.416 58.200 -0.039 0.000 0.951 60 S CB -0.545 62.633 63.200 -0.037 0.000 0.759 60 S HN 0.642 nan 8.310 nan 0.000 0.523 61 K N -0.596 119.703 120.400 -0.168 0.000 2.305 61 K HA -0.001 4.319 4.320 0.001 0.000 0.199 61 K C -0.205 176.339 176.600 -0.094 0.000 1.047 61 K CA 0.226 56.410 56.287 -0.172 0.000 0.976 61 K CB -0.368 31.960 32.500 -0.287 0.000 0.765 61 K HN 0.378 nan 8.250 nan 0.000 0.474 62 Y N 2.816 123.121 120.300 0.010 0.000 2.532 62 Y HA 0.109 4.660 4.550 0.001 0.000 0.337 62 Y C 0.374 176.278 175.900 0.007 0.000 1.274 62 Y CA -1.153 56.953 58.100 0.011 0.000 1.817 62 Y CB -0.309 38.152 38.460 0.002 0.000 1.769 62 Y HN -0.097 nan 8.280 nan 0.000 0.447 63 V N 1.830 121.833 119.914 0.149 0.000 2.732 63 V HA 0.655 4.776 4.120 0.001 0.000 0.297 63 V C 0.987 177.137 176.094 0.095 0.000 1.060 63 V CA -0.493 61.866 62.300 0.098 0.000 1.038 63 V CB 0.840 32.707 31.823 0.074 0.000 1.003 63 V HN 0.738 nan 8.190 nan 0.000 0.481 64 G N 4.295 113.135 108.800 0.067 0.000 2.583 64 G HA2 -0.096 3.864 3.960 0.001 0.000 0.230 64 G HA3 -0.096 3.864 3.960 0.001 0.000 0.230 64 G C 0.605 175.546 174.900 0.069 0.000 1.249 64 G CA 0.240 45.373 45.100 0.055 0.000 0.857 64 G HN 0.909 nan 8.290 nan 0.000 0.569 65 N N 0.582 119.320 118.700 0.063 0.000 2.142 65 N HA -0.045 4.695 4.740 0.001 0.000 0.186 65 N C 1.571 177.140 175.510 0.097 0.000 1.023 65 N CA 1.115 54.216 53.050 0.085 0.000 0.852 65 N CB -0.170 38.358 38.487 0.069 0.000 0.998 65 N HN 0.755 nan 8.380 nan 0.000 0.424 66 K N -1.027 119.416 120.400 0.071 0.000 2.546 66 K HA -0.228 4.093 4.320 0.001 0.000 0.155 66 K C -0.136 176.502 176.600 0.063 0.000 1.219 66 K CA 1.009 57.336 56.287 0.067 0.000 0.377 66 K CB -1.417 31.135 32.500 0.088 0.000 0.691 66 K HN 0.020 nan 8.250 nan 0.000 0.744 67 I N 2.631 123.249 120.570 0.080 0.000 2.919 67 I HA -0.121 4.049 4.170 0.001 0.000 0.303 67 I C 1.855 177.985 176.117 0.023 0.000 1.221 67 I CA 1.638 62.965 61.300 0.045 0.000 1.444 67 I CB -0.085 37.953 38.000 0.063 0.000 1.331 67 I HN 0.862 nan 8.210 nan 0.000 0.572 68 T N 1.778 116.329 114.554 -0.005 0.000 2.966 68 T HA 0.246 4.597 4.350 0.001 0.000 0.254 68 T C 0.475 175.157 174.700 -0.031 0.000 0.961 68 T CA -0.311 61.785 62.100 -0.008 0.000 0.915 68 T CB 0.399 69.266 68.868 -0.001 0.000 1.186 68 T HN 0.502 nan 8.240 nan 0.000 0.505 69 E N 1.640 121.814 120.200 -0.043 0.000 2.151 69 E HA 0.491 4.841 4.350 0.001 0.000 0.275 69 E C -1.002 175.550 176.600 -0.079 0.000 0.936 69 E CA -0.679 55.691 56.400 -0.049 0.000 0.777 69 E CB 2.366 32.046 29.700 -0.034 0.000 1.108 69 E HN 0.010 nan 8.360 nan 0.000 0.401 70 V N 5.109 124.971 119.914 -0.087 0.000 2.416 70 V HA -0.094 4.026 4.120 0.001 0.000 0.260 70 V C 0.295 176.349 176.094 -0.067 0.000 1.018 70 V CA 0.220 62.455 62.300 -0.109 0.000 1.120 70 V CB -1.227 30.550 31.823 -0.075 0.000 1.081 70 V HN 0.673 nan 8.190 nan 0.000 0.474 71 D N 3.119 123.495 120.400 -0.041 0.000 2.380 71 D HA 0.009 4.649 4.640 0.001 0.000 0.254 71 D C 1.369 177.628 176.300 -0.068 0.000 1.288 71 D CA -0.005 53.983 54.000 -0.020 0.000 1.008 71 D CB 0.467 41.308 40.800 0.067 0.000 1.099 71 D HN 0.595 nan 8.370 nan 0.000 0.537 72 E N -1.217 118.868 120.200 -0.191 0.000 2.265 72 E HA -0.256 4.095 4.350 0.001 0.000 0.196 72 E C 1.453 177.886 176.600 -0.279 0.000 0.996 72 E CA 0.985 57.208 56.400 -0.296 0.000 0.832 72 E CB -0.530 28.891 29.700 -0.466 0.000 0.756 72 E HN 0.667 nan 8.360 nan 0.000 0.491 73 Y N 0.771 121.105 120.300 0.056 0.000 2.231 73 Y HA 0.069 4.619 4.550 0.001 0.000 0.294 73 Y C 2.622 178.548 175.900 0.044 0.000 1.120 73 Y CA 0.828 58.968 58.100 0.067 0.000 1.141 73 Y CB -0.199 38.333 38.460 0.120 0.000 1.022 73 Y HN -0.083 nan 8.280 nan 0.000 0.523 74 M N 0.423 120.104 119.600 0.135 0.000 2.108 74 M HA -0.313 4.167 4.480 0.001 0.000 0.257 74 M C 1.945 178.284 176.300 0.065 0.000 1.071 74 M CA 1.945 57.262 55.300 0.028 0.000 1.093 74 M CB -0.569 31.924 32.600 -0.179 0.000 1.345 74 M HN 0.171 nan 8.290 nan 0.000 0.403 75 K N 0.117 120.538 120.400 0.035 0.000 2.063 75 K HA -0.216 4.104 4.320 0.001 0.000 0.208 75 K C 1.994 178.641 176.600 0.077 0.000 1.048 75 K CA 1.726 58.037 56.287 0.040 0.000 0.928 75 K CB -0.237 32.266 32.500 0.004 0.000 0.713 75 K HN 0.417 nan 8.250 nan 0.000 0.442 76 E N 0.431 120.684 120.200 0.088 0.000 2.152 76 E HA -0.132 4.218 4.350 0.001 0.000 0.192 76 E C 1.881 178.580 176.600 0.164 0.000 0.983 76 E CA 0.697 57.165 56.400 0.114 0.000 0.818 76 E CB 0.035 29.799 29.700 0.107 0.000 0.758 76 E HN 0.304 nan 8.360 nan 0.000 0.467 77 A N 0.806 123.731 122.820 0.175 0.000 1.842 77 A HA -0.221 4.100 4.320 0.001 0.000 0.217 77 A C 2.408 180.142 177.584 0.250 0.000 1.206 77 A CA 1.935 54.099 52.037 0.210 0.000 0.630 77 A CB -1.180 17.944 19.000 0.206 0.000 0.839 77 A HN 0.218 nan 8.150 nan 0.000 0.447 78 V N 0.651 120.692 119.914 0.211 0.000 2.363 78 V HA -0.323 3.797 4.120 0.001 0.000 0.254 78 V C 2.228 178.431 176.094 0.181 0.000 1.074 78 V CA 2.542 64.964 62.300 0.204 0.000 1.069 78 V CB -0.855 31.052 31.823 0.140 0.000 0.659 78 V HN 0.538 nan 8.190 nan 0.000 0.455 79 D N -1.909 118.589 120.400 0.163 0.000 2.183 79 D HA -0.124 4.517 4.640 0.001 0.000 0.203 79 D C 2.079 178.475 176.300 0.160 0.000 0.969 79 D CA 1.139 55.220 54.000 0.134 0.000 0.842 79 D CB -0.173 40.696 40.800 0.115 0.000 0.957 79 D HN 0.604 nan 8.370 nan 0.000 0.484 80 H N -0.865 118.282 119.070 0.128 0.000 2.384 80 H HA -0.129 4.428 4.556 0.001 0.000 0.300 80 H C 1.897 177.336 175.328 0.185 0.000 1.057 80 H CA 0.757 56.883 56.048 0.130 0.000 1.370 80 H CB 0.032 29.868 29.762 0.123 0.000 1.417 80 H HN 0.083 nan 8.280 nan 0.000 0.527 81 Y N 1.597 121.915 120.300 0.031 0.000 2.163 81 Y HA -0.074 4.476 4.550 0.001 0.000 0.288 81 Y C 2.695 178.579 175.900 -0.026 0.000 1.136 81 Y CA 1.586 59.684 58.100 -0.005 0.000 1.147 81 Y CB -0.986 37.534 38.460 0.100 0.000 0.987 81 Y HN 0.258 nan 8.280 nan 0.000 0.509 82 A N -0.195 122.597 122.820 -0.047 0.000 1.978 82 A HA -0.130 4.190 4.320 0.001 0.000 0.220 82 A C 2.458 179.975 177.584 -0.111 0.000 1.170 82 A CA 1.837 53.802 52.037 -0.119 0.000 0.636 82 A CB -1.528 17.471 19.000 -0.002 0.000 0.810 82 A HN 0.573 nan 8.150 nan 0.000 0.448 83 G N -1.647 107.100 108.800 -0.088 0.000 2.551 83 G HA2 -0.020 3.940 3.960 0.001 0.000 0.216 83 G HA3 -0.020 3.940 3.960 0.001 0.000 0.216 83 G C 1.520 176.349 174.900 -0.118 0.000 1.137 83 G CA 0.597 45.649 45.100 -0.080 0.000 0.798 83 G HN 0.588 nan 8.290 nan 0.000 0.536 84 Q N -0.003 119.691 119.800 -0.177 0.000 2.020 84 Q HA 0.009 4.349 4.340 0.001 0.000 0.202 84 Q C 2.587 178.504 176.000 -0.139 0.000 0.982 84 Q CA 0.946 56.659 55.803 -0.149 0.000 0.838 84 Q CB -0.314 28.363 28.738 -0.102 0.000 0.899 84 Q HN 0.432 nan 8.270 nan 0.000 0.423 85 L N 0.109 121.207 121.223 -0.209 0.000 2.191 85 L HA -0.167 4.173 4.340 0.001 0.000 0.212 85 L C 2.406 179.214 176.870 -0.103 0.000 1.103 85 L CA 0.441 55.162 54.840 -0.198 0.000 0.769 85 L CB -0.437 41.461 42.059 -0.268 0.000 0.908 85 L HN 0.316 nan 8.230 nan 0.000 0.438 86 M N 0.087 119.639 119.600 -0.078 0.000 2.267 86 M HA -0.160 4.321 4.480 0.001 0.000 0.263 86 M C 2.622 178.904 176.300 -0.031 0.000 1.063 86 M CA 1.917 57.196 55.300 -0.035 0.000 1.090 86 M CB -1.169 31.416 32.600 -0.026 0.000 1.392 86 M HN 0.432 nan 8.290 nan 0.000 0.422 87 S N -0.337 115.336 115.700 -0.046 0.000 2.453 87 S HA -0.028 4.442 4.470 0.001 0.000 0.231 87 S C 1.806 176.387 174.600 -0.033 0.000 1.005 87 S CA 0.575 58.755 58.200 -0.034 0.000 0.949 87 S CB -0.678 62.501 63.200 -0.036 0.000 0.774 87 S HN 0.550 nan 8.310 nan 0.000 0.510 88 L N 1.096 122.291 121.223 -0.047 0.000 2.552 88 L HA 0.100 4.441 4.340 0.001 0.000 0.227 88 L C -0.072 176.787 176.870 -0.017 0.000 1.146 88 L CA 0.188 55.000 54.840 -0.046 0.000 0.858 88 L CB -0.821 41.185 42.059 -0.089 0.000 0.969 88 L HN 0.150 nan 8.230 nan 0.000 0.451 89 D N 1.079 121.476 120.400 -0.005 0.000 2.686 89 D HA -0.190 4.450 4.640 0.001 0.000 0.235 89 D C 0.141 176.459 176.300 0.030 0.000 1.160 89 D CA 0.783 54.789 54.000 0.011 0.000 0.645 89 D CB -1.174 39.630 40.800 0.006 0.000 1.039 89 D HN 0.292 nan 8.370 nan 0.000 0.423 90 I N 0.743 121.346 120.570 0.055 0.000 2.662 90 I HA -0.116 4.055 4.170 0.001 0.000 0.285 90 I C 1.313 177.497 176.117 0.113 0.000 1.161 90 I CA -0.047 61.317 61.300 0.107 0.000 1.415 90 I CB 0.201 38.310 38.000 0.182 0.000 1.385 90 I HN 0.006 nan 8.210 nan 0.000 0.552 91 N N 5.234 123.986 118.700 0.085 0.000 2.440 91 N HA -0.069 4.672 4.740 0.001 0.000 0.265 91 N C 0.908 176.431 175.510 0.022 0.000 1.239 91 N CA 0.300 53.372 53.050 0.038 0.000 0.909 91 N CB 0.798 39.301 38.487 0.026 0.000 1.066 91 N HN 0.697 nan 8.380 nan 0.000 0.474 92 T N -0.097 114.377 114.554 -0.134 0.000 3.122 92 T HA 0.185 4.535 4.350 0.001 0.000 0.250 92 T C 0.441 174.833 174.700 -0.514 0.000 1.067 92 T CA -0.220 61.572 62.100 -0.513 0.000 0.966 92 T CB -0.187 68.351 68.868 -0.549 0.000 1.002 92 T HN 0.498 nan 8.240 nan 0.000 0.542 93 E N 1.593 121.647 120.200 -0.243 0.000 2.408 93 E HA 0.131 4.481 4.350 0.001 0.000 0.259 93 E C 0.092 176.586 176.600 -0.177 0.000 1.110 93 E CA -0.350 55.938 56.400 -0.186 0.000 0.929 93 E CB 0.467 30.107 29.700 -0.101 0.000 0.971 93 E HN 0.375 nan 8.360 nan 0.000 0.438 94 Q N 1.799 121.508 119.800 -0.151 0.000 2.337 94 Q HA 0.042 4.382 4.340 0.001 0.000 0.270 94 Q C -0.441 175.512 176.000 -0.077 0.000 1.002 94 Q CA 0.240 55.969 55.803 -0.124 0.000 0.888 94 Q CB 0.755 29.432 28.738 -0.100 0.000 1.222 94 Q HN 0.455 nan 8.270 nan 0.000 0.400 95 M N 3.799 123.358 119.600 -0.068 0.000 2.211 95 M HA 0.177 4.658 4.480 0.001 0.000 0.356 95 M C -0.214 176.072 176.300 -0.024 0.000 1.216 95 M CA -0.626 54.653 55.300 -0.035 0.000 1.134 95 M CB 0.427 33.011 32.600 -0.027 0.000 1.564 95 M HN 0.828 nan 8.290 nan 0.000 0.463 96 C N 4.096 123.394 119.300 -0.005 0.000 2.689 96 C HA 0.132 4.593 4.460 0.001 0.000 0.409 96 C C 1.684 176.683 174.990 0.015 0.000 1.293 96 C CA -0.924 58.098 59.018 0.006 0.000 2.136 96 C CB -0.187 27.562 27.740 0.017 0.000 2.719 96 C HN 1.121 nan 8.230 nan 0.000 0.644 97 L N 1.142 122.376 121.223 0.019 0.000 2.129 97 L HA -0.139 4.201 4.340 0.001 0.000 0.212 97 L C 2.579 179.471 176.870 0.036 0.000 1.087 97 L CA 2.367 57.220 54.840 0.020 0.000 0.757 97 L CB -1.042 41.033 42.059 0.027 0.000 0.896 97 L HN 0.973 nan 8.230 nan 0.000 0.434 98 E N -1.079 119.165 120.200 0.074 0.000 2.107 98 E HA -0.209 4.141 4.350 0.001 0.000 0.191 98 E C 1.373 178.065 176.600 0.153 0.000 0.982 98 E CA 1.263 57.754 56.400 0.152 0.000 0.809 98 E CB 0.031 29.817 29.700 0.144 0.000 0.756 98 E HN 0.564 nan 8.360 nan 0.000 0.459 99 D N 0.055 120.508 120.400 0.088 0.000 2.234 99 D HA -0.018 4.623 4.640 0.001 0.000 0.205 99 D C 1.668 177.997 176.300 0.048 0.000 0.962 99 D CA 0.925 54.973 54.000 0.079 0.000 0.855 99 D CB -0.065 40.770 40.800 0.059 0.000 0.951 99 D HN 0.248 nan 8.370 nan 0.000 0.500 100 A N 0.441 123.272 122.820 0.018 0.000 1.969 100 A HA -0.124 4.196 4.320 0.001 0.000 0.218 100 A C 2.112 179.668 177.584 -0.047 0.000 1.169 100 A CA 1.180 53.217 52.037 -0.001 0.000 0.635 100 A CB -0.350 18.644 19.000 -0.010 0.000 0.810 100 A HN 0.172 nan 8.150 nan 0.000 0.445 101 M N -3.082 116.436 119.600 -0.136 0.000 2.429 101 M HA 0.112 4.593 4.480 0.001 0.000 0.265 101 M C 1.601 177.661 176.300 -0.401 0.000 1.120 101 M CA 1.147 56.232 55.300 -0.358 0.000 1.173 101 M CB -0.129 32.064 32.600 -0.679 0.000 1.343 101 M HN 0.431 nan 8.290 nan 0.000 0.464 102 Y N 0.641 120.954 120.300 0.022 0.000 2.458 102 Y HA 0.418 4.968 4.550 0.001 0.000 0.254 102 Y C 1.276 177.190 175.900 0.023 0.000 1.120 102 Y CA 0.169 58.280 58.100 0.017 0.000 1.282 102 Y CB 0.515 38.982 38.460 0.012 0.000 1.109 102 Y HN 0.367 nan 8.280 nan 0.000 0.526 103 G N 0.135 109.010 108.800 0.125 0.000 2.661 103 G HA2 0.112 4.073 3.960 0.001 0.000 0.685 103 G HA3 0.112 4.073 3.960 0.001 0.000 0.685 103 G C -0.545 174.414 174.900 0.098 0.000 1.298 103 G CA -0.282 44.879 45.100 0.102 0.000 0.855 103 G HN 0.280 nan 8.290 nan 0.000 0.560 104 T N -1.515 113.090 114.554 0.085 0.000 2.661 104 T HA 0.453 4.803 4.350 0.001 0.000 0.303 104 T C -1.568 173.174 174.700 0.071 0.000 1.658 104 T CA 0.689 62.832 62.100 0.072 0.000 0.974 104 T CB 1.240 70.148 68.868 0.067 0.000 1.857 104 T HN 1.340 nan 8.240 nan 0.000 0.475 105 D N -0.132 120.305 120.400 0.063 0.000 2.382 105 D HA 0.466 5.107 4.640 0.001 0.000 0.259 105 D C 1.316 177.669 176.300 0.088 0.000 1.224 105 D CA 2.109 56.148 54.000 0.064 0.000 0.894 105 D CB -0.149 40.681 40.800 0.050 0.000 1.127 105 D HN 1.142 nan 8.370 nan 0.000 0.487 106 G N 2.757 111.620 108.800 0.105 0.000 2.194 106 G HA2 -0.208 3.752 3.960 0.001 0.000 0.236 106 G HA3 -0.208 3.752 3.960 0.001 0.000 0.236 106 G C -0.188 174.870 174.900 0.262 0.000 0.987 106 G CA 0.158 45.358 45.100 0.168 0.000 0.635 106 G HN 0.600 nan 8.290 nan 0.000 0.520 107 L N 1.478 122.811 121.223 0.183 0.000 2.409 107 L HA 0.737 5.077 4.340 0.001 0.000 0.272 107 L C -0.271 176.666 176.870 0.113 0.000 0.980 107 L CA -1.177 53.781 54.840 0.195 0.000 0.826 107 L CB 1.536 43.703 42.059 0.180 0.000 1.268 107 L HN 0.080 nan 8.230 nan 0.000 0.407 108 E N 2.531 122.778 120.200 0.078 0.000 2.392 108 E HA 0.441 4.792 4.350 0.001 0.000 0.259 108 E C -0.023 176.608 176.600 0.052 0.000 1.108 108 E CA -0.041 56.385 56.400 0.043 0.000 0.916 108 E CB 1.030 30.732 29.700 0.003 0.000 0.989 108 E HN 0.739 nan 8.360 nan 0.000 0.432 109 A N 2.061 124.912 122.820 0.051 0.000 2.387 109 A HA 0.193 4.513 4.320 0.001 0.000 0.251 109 A C 0.239 177.830 177.584 0.011 0.000 1.113 109 A CA -0.271 51.793 52.037 0.045 0.000 0.794 109 A CB 0.050 19.102 19.000 0.087 0.000 1.069 109 A HN 0.539 nan 8.150 nan 0.000 0.506 110 L N 0.773 121.981 121.223 -0.026 0.000 2.380 110 L HA 0.121 4.462 4.340 0.001 0.000 0.273 110 L C 0.417 177.276 176.870 -0.020 0.000 1.138 110 L CA -0.434 54.388 54.840 -0.030 0.000 0.832 110 L CB 0.383 42.402 42.059 -0.066 0.000 1.124 110 L HN 0.669 nan 8.230 nan 0.000 0.454 111 D N 3.381 123.772 120.400 -0.015 0.000 2.389 111 D HA -0.004 4.636 4.640 0.001 0.000 0.263 111 D C 0.869 177.160 176.300 -0.016 0.000 1.255 111 D CA 0.279 54.271 54.000 -0.013 0.000 0.914 111 D CB 0.861 41.651 40.800 -0.017 0.000 1.116 111 D HN 0.390 nan 8.370 nan 0.000 0.502 112 L N 2.777 123.995 121.223 -0.008 0.000 2.610 112 L HA -0.058 4.283 4.340 0.001 0.000 0.232 112 L C 1.838 178.700 176.870 -0.013 0.000 1.149 112 L CA 0.362 55.196 54.840 -0.010 0.000 0.872 112 L CB -0.362 41.702 42.059 0.007 0.000 0.992 112 L HN 0.330 nan 8.230 nan 0.000 0.447 113 S N -1.956 113.735 115.700 -0.015 0.000 2.557 113 S HA 0.077 4.547 4.470 0.001 0.000 0.223 113 S C 0.747 175.331 174.600 -0.027 0.000 0.969 113 S CA -0.377 57.812 58.200 -0.019 0.000 0.927 113 S CB -0.296 62.893 63.200 -0.018 0.000 0.806 113 S HN 0.365 nan 8.310 nan 0.000 0.489 114 T N -0.841 113.696 114.554 -0.027 0.000 2.932 114 T HA 0.630 4.980 4.350 0.001 0.000 0.289 114 T C -0.082 174.602 174.700 -0.026 0.000 1.039 114 T CA -0.665 61.415 62.100 -0.033 0.000 1.024 114 T CB 1.424 70.275 68.868 -0.028 0.000 1.090 114 T HN 0.070 nan 8.240 nan 0.000 0.496 115 S N -0.079 115.604 115.700 -0.029 0.000 2.554 115 S HA 0.261 4.731 4.470 0.001 0.000 0.290 115 S C 1.420 176.035 174.600 0.023 0.000 1.309 115 S CA -0.084 58.116 58.200 -0.001 0.000 1.047 115 S CB -0.280 62.923 63.200 0.005 0.000 0.828 115 S HN 1.063 nan 8.310 nan 0.000 0.509 116 A N 4.140 126.983 122.820 0.038 0.000 2.251 116 A HA 0.501 4.821 4.320 0.001 0.000 0.209 116 A C 1.383 179.066 177.584 0.166 0.000 1.187 116 A CA 0.633 52.698 52.037 0.047 0.000 0.823 116 A CB -1.503 17.471 19.000 -0.042 0.000 0.846 116 A HN 1.937 nan 8.150 nan 0.000 0.486 117 G N -1.027 107.866 108.800 0.154 0.000 2.740 117 G HA2 -0.270 3.690 3.960 0.001 0.000 0.250 117 G HA3 -0.270 3.690 3.960 0.001 0.000 0.250 117 G C -0.073 174.931 174.900 0.174 0.000 1.358 117 G CA 0.086 45.292 45.100 0.177 0.000 0.897 117 G HN 1.090 nan 8.290 nan 0.000 0.567 118 Y N 2.521 122.810 120.300 -0.019 0.000 2.497 118 Y HA 0.395 4.946 4.550 0.001 0.000 0.334 118 Y C -0.456 175.264 175.900 -0.300 0.000 1.199 118 Y CA -0.525 57.484 58.100 -0.151 0.000 1.425 118 Y CB 1.284 39.631 38.460 -0.188 0.000 1.291 118 Y HN 0.304 nan 8.280 nan 0.000 0.562 119 P HA -0.037 nan 4.420 nan 0.000 0.255 119 P C 0.259 177.030 177.300 -0.882 0.000 1.248 119 P CA 0.966 63.065 63.100 -1.668 0.000 0.807 119 P CB 0.054 30.660 31.700 -1.823 0.000 1.150 120 Y N -0.793 119.290 120.300 -0.363 0.000 2.373 120 Y HA -0.049 4.501 4.550 0.001 0.000 0.293 120 Y C 2.563 178.404 175.900 -0.098 0.000 1.129 120 Y CA 0.226 58.202 58.100 -0.207 0.000 1.226 120 Y CB -1.553 36.816 38.460 -0.151 0.000 1.000 120 Y HN -0.220 nan 8.280 nan 0.000 0.549 121 V N 0.064 120.023 119.914 0.076 0.000 2.688 121 V HA -0.275 3.846 4.120 0.001 0.000 0.256 121 V C 1.941 178.077 176.094 0.069 0.000 1.084 121 V CA 1.937 64.295 62.300 0.096 0.000 1.103 121 V CB -0.535 31.374 31.823 0.144 0.000 0.688 121 V HN 0.483 nan 8.190 nan 0.000 0.480 122 A N -1.851 120.983 122.820 0.024 0.000 2.431 122 A HA 0.345 4.666 4.320 0.001 0.000 0.239 122 A C 1.673 179.262 177.584 0.007 0.000 1.230 122 A CA 0.072 52.127 52.037 0.031 0.000 0.928 122 A CB 0.077 19.112 19.000 0.058 0.000 1.006 122 A HN 0.500 nan 8.150 nan 0.000 0.520 123 M N -1.096 118.497 119.600 -0.011 0.000 2.371 123 M HA 0.254 4.734 4.480 0.001 0.000 0.246 123 M C 1.239 177.559 176.300 0.033 0.000 1.103 123 M CA 0.807 56.109 55.300 0.003 0.000 1.010 123 M CB 0.630 33.221 32.600 -0.015 0.000 1.457 123 M HN 0.542 nan 8.290 nan 0.000 0.486 124 G N 1.980 110.804 108.800 0.040 0.000 2.147 124 G HA2 -0.264 3.696 3.960 0.001 0.000 0.244 124 G HA3 -0.264 3.696 3.960 0.001 0.000 0.244 124 G C -0.053 174.873 174.900 0.044 0.000 1.005 124 G CA 0.112 45.237 45.100 0.041 0.000 0.713 124 G HN 0.438 nan 8.290 nan 0.000 0.515 125 K N 0.429 120.868 120.400 0.065 0.000 2.130 125 K HA 0.566 4.886 4.320 0.001 0.000 0.268 125 K C 0.506 177.120 176.600 0.024 0.000 0.983 125 K CA -0.617 55.703 56.287 0.054 0.000 0.893 125 K CB 0.623 33.187 32.500 0.107 0.000 1.066 125 K HN 0.271 nan 8.250 nan 0.000 0.450 126 K N 2.458 122.848 120.400 -0.017 0.000 2.238 126 K HA 0.279 4.600 4.320 0.001 0.000 0.239 126 K C 0.562 177.110 176.600 -0.087 0.000 0.987 126 K CA -1.005 55.261 56.287 -0.035 0.000 0.857 126 K CB 1.425 33.914 32.500 -0.019 0.000 1.154 126 K HN 0.356 nan 8.250 nan 0.000 0.439 127 K N 1.260 121.607 120.400 -0.088 0.000 2.089 127 K HA -0.207 4.113 4.320 0.001 0.000 0.210 127 K C 1.851 178.410 176.600 -0.069 0.000 1.048 127 K CA 1.672 57.896 56.287 -0.106 0.000 0.926 127 K CB -0.086 32.370 32.500 -0.073 0.000 0.714 127 K HN 0.449 nan 8.250 nan 0.000 0.448 128 R N 0.754 121.232 120.500 -0.037 0.000 2.127 128 R HA -0.121 4.219 4.340 0.001 0.000 0.238 128 R C 1.728 178.021 176.300 -0.012 0.000 1.134 128 R CA 1.278 57.372 56.100 -0.011 0.000 0.975 128 R CB -0.184 30.113 30.300 -0.005 0.000 0.865 128 R HN 0.266 nan 8.270 nan 0.000 0.447 129 D N 0.242 120.625 120.400 -0.028 0.000 2.264 129 D HA -0.088 4.552 4.640 0.001 0.000 0.208 129 D C 1.711 177.996 176.300 -0.026 0.000 0.966 129 D CA 1.113 55.100 54.000 -0.021 0.000 0.864 129 D CB 0.174 40.961 40.800 -0.023 0.000 0.933 129 D HN 0.319 nan 8.370 nan 0.000 0.499 130 I N -0.555 119.982 120.570 -0.055 0.000 3.616 130 I HA 0.010 4.180 4.170 0.001 0.000 0.296 130 I C 0.281 176.394 176.117 -0.007 0.000 1.226 130 I CA 0.064 61.325 61.300 -0.064 0.000 1.394 130 I CB 0.561 38.458 38.000 -0.171 0.000 1.171 130 I HN -0.182 nan 8.210 nan 0.000 0.442 131 L N 0.824 122.057 121.223 0.015 0.000 2.330 131 L HA 0.417 4.758 4.340 0.001 0.000 0.271 131 L C -0.162 176.826 176.870 0.196 0.000 1.013 131 L CA -0.065 54.849 54.840 0.123 0.000 0.816 131 L CB 1.212 43.287 42.059 0.027 0.000 1.287 131 L HN 0.005 nan 8.230 nan 0.000 0.435 132 N N 1.499 120.400 118.700 0.334 0.000 2.607 132 N HA 0.155 4.896 4.740 0.001 0.000 0.271 132 N C 0.204 175.660 175.510 -0.089 0.000 1.142 132 N CA -0.255 52.855 53.050 0.101 0.000 0.810 132 N CB 1.150 39.650 38.487 0.021 0.000 1.306 132 N HN 0.564 nan 8.380 nan 0.000 0.536 133 K N 1.147 121.548 120.400 0.001 0.000 2.152 133 K HA -0.213 4.108 4.320 0.001 0.000 0.206 133 K C 1.341 177.815 176.600 -0.209 0.000 1.048 133 K CA 1.360 57.586 56.287 -0.102 0.000 0.933 133 K CB 0.287 32.803 32.500 0.026 0.000 0.721 133 K HN 0.474 nan 8.250 nan 0.000 0.447 134 Q N 0.741 120.459 119.800 -0.137 0.000 1.994 134 Q HA -0.105 4.235 4.340 0.001 0.000 0.198 134 Q C 2.024 177.932 176.000 -0.154 0.000 0.976 134 Q CA 2.582 58.317 55.803 -0.114 0.000 0.828 134 Q CB -0.473 28.227 28.738 -0.064 0.000 0.894 134 Q HN 0.415 nan 8.270 nan 0.000 0.432 135 T N -2.524 111.933 114.554 -0.162 0.000 2.942 135 T HA 0.059 4.409 4.350 0.001 0.000 0.265 135 T C 0.477 175.026 174.700 -0.251 0.000 1.062 135 T CA 0.626 62.635 62.100 -0.152 0.000 1.139 135 T CB -0.130 68.683 68.868 -0.090 0.000 0.883 135 T HN 0.454 nan 8.240 nan 0.000 0.468 136 R N 1.255 121.450 120.500 -0.507 0.000 3.656 136 R HA -0.128 4.212 4.340 0.001 0.000 0.297 136 R C -0.916 175.214 176.300 -0.283 0.000 1.166 136 R CA 0.642 56.187 56.100 -0.925 0.000 0.799 136 R CB -2.383 27.578 30.300 -0.565 0.000 1.285 136 R HN 0.662 nan 8.270 nan 0.000 0.477 137 D N -0.225 120.128 120.400 -0.078 0.000 2.351 137 D HA 0.119 4.759 4.640 0.001 0.000 0.251 137 D C 1.357 177.795 176.300 0.230 0.000 1.137 137 D CA 0.697 54.744 54.000 0.079 0.000 0.879 137 D CB 1.031 41.857 40.800 0.044 0.000 1.181 137 D HN 0.223 nan 8.370 nan 0.000 0.448 138 T N 0.024 114.677 114.554 0.166 0.000 2.985 138 T HA 0.101 4.451 4.350 0.001 0.000 0.254 138 T C 1.488 176.235 174.700 0.079 0.000 1.021 138 T CA -0.237 61.947 62.100 0.140 0.000 0.957 138 T CB 0.012 68.950 68.868 0.118 0.000 1.047 138 T HN 0.269 nan 8.240 nan 0.000 0.511 139 K N 1.247 121.687 120.400 0.066 0.000 2.034 139 K HA -0.207 4.113 4.320 0.001 0.000 0.214 139 K C 2.228 178.855 176.600 0.045 0.000 1.051 139 K CA 2.115 58.430 56.287 0.047 0.000 0.931 139 K CB -0.188 32.335 32.500 0.038 0.000 0.715 139 K HN 0.318 nan 8.250 nan 0.000 0.446 140 E N 0.740 120.967 120.200 0.046 0.000 2.150 140 E HA -0.150 4.201 4.350 0.001 0.000 0.193 140 E C 1.845 178.469 176.600 0.040 0.000 0.985 140 E CA 0.915 57.340 56.400 0.041 0.000 0.814 140 E CB -0.021 29.700 29.700 0.034 0.000 0.752 140 E HN 0.107 nan 8.360 nan 0.000 0.466 141 M N 0.179 119.798 119.600 0.031 0.000 2.099 141 M HA -0.135 4.345 4.480 0.001 0.000 0.262 141 M C 2.064 178.393 176.300 0.048 0.000 1.067 141 M CA 1.689 57.000 55.300 0.019 0.000 1.124 141 M CB -0.431 32.163 32.600 -0.011 0.000 1.353 141 M HN 0.073 nan 8.290 nan 0.000 0.410 142 Q N 0.757 120.584 119.800 0.045 0.000 2.002 142 Q HA -0.246 4.095 4.340 0.001 0.000 0.204 142 Q C 2.056 178.087 176.000 0.051 0.000 0.988 142 Q CA 2.693 58.524 55.803 0.047 0.000 0.843 142 Q CB -0.633 28.128 28.738 0.039 0.000 0.908 142 Q HN 0.629 nan 8.270 nan 0.000 0.420 143 K N -0.443 119.985 120.400 0.046 0.000 2.160 143 K HA -0.174 4.146 4.320 0.001 0.000 0.206 143 K C 1.791 178.427 176.600 0.060 0.000 1.047 143 K CA 1.555 57.866 56.287 0.040 0.000 0.930 143 K CB -0.208 32.313 32.500 0.036 0.000 0.720 143 K HN 0.371 nan 8.250 nan 0.000 0.450 144 L N 0.486 121.779 121.223 0.117 0.000 2.270 144 L HA -0.034 4.307 4.340 0.001 0.000 0.210 144 L C 2.308 179.321 176.870 0.239 0.000 1.104 144 L CA 0.237 55.220 54.840 0.239 0.000 0.804 144 L CB -0.160 42.100 42.059 0.335 0.000 0.937 144 L HN 0.171 nan 8.230 nan 0.000 0.450 145 L N -0.223 121.092 121.223 0.154 0.000 2.141 145 L HA -0.201 4.140 4.340 0.001 0.000 0.209 145 L C 2.111 179.027 176.870 0.077 0.000 1.094 145 L CA 1.006 55.923 54.840 0.128 0.000 0.763 145 L CB -0.376 41.740 42.059 0.095 0.000 0.908 145 L HN 0.264 nan 8.230 nan 0.000 0.437 146 D N -0.904 119.520 120.400 0.040 0.000 2.097 146 D HA -0.138 4.502 4.640 0.001 0.000 0.197 146 D C 2.173 178.435 176.300 -0.063 0.000 0.984 146 D CA 1.574 55.572 54.000 -0.004 0.000 0.826 146 D CB -0.238 40.556 40.800 -0.009 0.000 0.973 146 D HN 0.203 nan 8.370 nan 0.000 0.460 147 T N -0.293 114.185 114.554 -0.127 0.000 2.701 147 T HA -0.142 4.209 4.350 0.001 0.000 0.263 147 T C 1.461 175.877 174.700 -0.474 0.000 1.040 147 T CA 1.150 63.020 62.100 -0.384 0.000 1.147 147 T CB -0.241 68.246 68.868 -0.636 0.000 0.865 147 T HN 0.215 nan 8.240 nan 0.000 0.426 148 Y N 0.322 120.624 120.300 0.003 0.000 2.430 148 Y HA 0.432 4.983 4.550 0.001 0.000 0.248 148 Y C 1.784 177.683 175.900 -0.001 0.000 1.108 148 Y CA -0.251 57.834 58.100 -0.025 0.000 1.264 148 Y CB -0.214 38.189 38.460 -0.095 0.000 1.172 148 Y HN 0.393 nan 8.280 nan 0.000 0.520 149 G N 2.049 110.927 108.800 0.130 0.000 2.578 149 G HA2 -0.322 3.638 3.960 0.001 0.000 0.275 149 G HA3 -0.322 3.638 3.960 0.001 0.000 0.275 149 G C 0.057 175.014 174.900 0.094 0.000 1.271 149 G CA 0.344 45.496 45.100 0.086 0.000 0.941 149 G HN 0.502 nan 8.290 nan 0.000 0.564 150 I N -3.885 116.709 120.570 0.041 0.000 3.617 150 I HA 0.741 4.911 4.170 0.001 0.000 0.283 150 I C 0.980 177.055 176.117 -0.071 0.000 1.160 150 I CA -0.390 60.924 61.300 0.023 0.000 1.084 150 I CB 1.486 39.519 38.000 0.055 0.000 1.365 150 I HN 0.693 nan 8.210 nan 0.000 0.494 151 N N 0.766 119.392 118.700 -0.124 0.000 2.735 151 N HA -0.132 4.609 4.740 0.001 0.000 0.248 151 N C -0.616 174.811 175.510 -0.139 0.000 1.083 151 N CA 0.621 53.541 53.050 -0.216 0.000 0.703 151 N CB -1.011 37.219 38.487 -0.428 0.000 1.005 151 N HN 0.445 nan 8.380 nan 0.000 0.550 152 L N 0.739 121.932 121.223 -0.049 0.000 2.472 152 L HA 0.353 4.693 4.340 0.001 0.000 0.260 152 L C -1.357 175.425 176.870 -0.148 0.000 1.209 152 L CA -1.269 53.563 54.840 -0.013 0.000 0.817 152 L CB -0.074 42.068 42.059 0.137 0.000 1.106 152 L HN -0.039 nan 8.230 nan 0.000 0.479 153 P HA 0.208 nan 4.420 nan 0.000 0.274 153 P C -1.011 176.074 177.300 -0.359 0.000 1.231 153 P CA -0.458 62.370 63.100 -0.454 0.000 0.790 153 P CB 0.897 32.112 31.700 -0.808 0.000 0.951 154 L N 1.838 122.821 121.223 -0.400 0.000 2.357 154 L HA 0.259 4.599 4.340 0.001 0.000 0.273 154 L C 0.257 177.006 176.870 -0.202 0.000 1.080 154 L CA -0.479 54.202 54.840 -0.264 0.000 0.803 154 L CB 1.031 42.901 42.059 -0.315 0.000 1.174 154 L HN 0.126 nan 8.230 nan 0.000 0.443 155 V N 1.514 121.382 119.914 -0.078 0.000 2.364 155 V HA 0.262 4.383 4.120 0.001 0.000 0.272 155 V C 0.381 176.408 176.094 -0.111 0.000 1.036 155 V CA -0.585 61.646 62.300 -0.115 0.000 0.880 155 V CB 0.934 32.713 31.823 -0.074 0.000 0.991 155 V HN 0.767 nan 8.190 nan 0.000 0.460 156 T N 5.659 120.173 114.554 -0.066 0.000 2.851 156 T HA 0.484 4.835 4.350 0.001 0.000 0.298 156 T C -0.699 173.892 174.700 -0.181 0.000 0.977 156 T CA 0.408 62.560 62.100 0.086 0.000 1.126 156 T CB 0.061 69.167 68.868 0.397 0.000 0.916 156 T HN 0.475 nan 8.240 nan 0.000 0.529 157 Y N 0.877 121.284 120.300 0.179 0.000 2.570 157 Y HA 0.536 5.087 4.550 0.001 0.000 0.345 157 Y C -0.033 175.938 175.900 0.119 0.000 1.014 157 Y CA -1.201 56.975 58.100 0.126 0.000 1.063 157 Y CB 1.368 39.872 38.460 0.073 0.000 1.272 157 Y HN 0.259 nan 8.280 nan 0.000 0.477 158 V N 2.186 122.273 119.914 0.289 0.000 2.465 158 V HA 0.221 4.341 4.120 0.001 0.000 0.279 158 V C -0.099 176.080 176.094 0.141 0.000 1.045 158 V CA -1.246 61.168 62.300 0.189 0.000 0.938 158 V CB 1.209 33.169 31.823 0.228 0.000 0.986 158 V HN 0.582 nan 8.190 nan 0.000 0.467 159 K N 3.295 123.747 120.400 0.087 0.000 2.378 159 K HA 0.064 4.385 4.320 0.001 0.000 0.288 159 K C -0.051 176.557 176.600 0.013 0.000 1.057 159 K CA -0.377 55.935 56.287 0.042 0.000 0.971 159 K CB 0.234 32.747 32.500 0.021 0.000 0.975 159 K HN 0.665 nan 8.250 nan 0.000 0.475 160 D N 5.064 125.461 120.400 -0.005 0.000 2.346 160 D HA -0.009 4.631 4.640 0.001 0.000 0.267 160 D C -0.776 175.484 176.300 -0.068 0.000 1.320 160 D CA 0.460 54.437 54.000 -0.038 0.000 0.951 160 D CB 0.177 40.953 40.800 -0.039 0.000 1.079 160 D HN 0.660 nan 8.370 nan 0.000 0.509 161 E N 1.910 122.054 120.200 -0.093 0.000 2.401 161 E HA 0.319 4.669 4.350 0.001 0.000 0.280 161 E C -0.843 175.656 176.600 -0.168 0.000 1.039 161 E CA -0.949 55.381 56.400 -0.117 0.000 0.814 161 E CB 0.502 30.154 29.700 -0.078 0.000 1.275 161 E HN 0.119 nan 8.360 nan 0.000 0.448 162 L N 1.150 122.251 121.223 -0.204 0.000 2.461 162 L HA 0.466 4.807 4.340 0.001 0.000 0.272 162 L C 0.183 176.969 176.870 -0.140 0.000 1.197 162 L CA -0.034 54.655 54.840 -0.251 0.000 0.836 162 L CB 0.325 42.233 42.059 -0.251 0.000 1.105 162 L HN 0.580 nan 8.230 nan 0.000 0.477 163 R N 0.493 120.920 120.500 -0.123 0.000 2.643 163 R HA 0.284 4.624 4.340 0.001 0.000 0.269 163 R C -0.455 175.826 176.300 -0.032 0.000 1.037 163 R CA -0.356 55.706 56.100 -0.063 0.000 0.894 163 R CB 1.858 32.121 30.300 -0.061 0.000 1.238 163 R HN 0.761 nan 8.270 nan 0.000 0.459 164 S N 1.295 116.992 115.700 -0.005 0.000 2.641 164 S HA 0.066 4.537 4.470 0.001 0.000 0.251 164 S C 0.666 175.277 174.600 0.018 0.000 1.332 164 S CA -0.036 58.175 58.200 0.017 0.000 0.968 164 S CB 0.549 63.762 63.200 0.021 0.000 0.987 164 S HN 0.673 nan 8.310 nan 0.000 0.587 165 K N -0.059 120.359 120.400 0.031 0.000 2.098 165 K HA 0.000 4.321 4.320 0.001 0.000 0.203 165 K C 2.344 178.957 176.600 0.021 0.000 1.051 165 K CA 1.299 57.604 56.287 0.030 0.000 0.957 165 K CB -0.730 31.795 32.500 0.042 0.000 0.738 165 K HN 0.788 nan 8.250 nan 0.000 0.447 166 T N 1.432 115.999 114.554 0.021 0.000 2.897 166 T HA -0.116 4.234 4.350 0.001 0.000 0.271 166 T C 1.435 176.143 174.700 0.014 0.000 1.084 166 T CA 1.231 63.342 62.100 0.018 0.000 1.123 166 T CB -0.048 68.832 68.868 0.019 0.000 0.865 166 T HN 0.206 nan 8.240 nan 0.000 0.496 167 K N 0.097 120.503 120.400 0.010 0.000 2.354 167 K HA 0.265 4.585 4.320 0.001 0.000 0.194 167 K C 1.800 178.400 176.600 -0.000 0.000 1.038 167 K CA 0.021 56.312 56.287 0.007 0.000 1.052 167 K CB 0.518 33.020 32.500 0.003 0.000 0.861 167 K HN 0.167 nan 8.250 nan 0.000 0.535 168 V N 1.445 121.355 119.914 -0.007 0.000 2.500 168 V HA -0.114 4.007 4.120 0.001 0.000 0.243 168 V C 1.806 177.885 176.094 -0.024 0.000 1.039 168 V CA 1.444 63.729 62.300 -0.026 0.000 1.053 168 V CB -0.121 31.685 31.823 -0.029 0.000 0.695 168 V HN 0.243 nan 8.190 nan 0.000 0.463 169 E N 0.368 120.565 120.200 -0.006 0.000 2.017 169 E HA -0.243 4.107 4.350 0.001 0.000 0.193 169 E C 1.951 178.556 176.600 0.007 0.000 0.997 169 E CA 1.255 57.655 56.400 -0.001 0.000 0.804 169 E CB -0.174 29.532 29.700 0.009 0.000 0.757 169 E HN 0.619 nan 8.360 nan 0.000 0.448 170 Q N -0.117 119.693 119.800 0.016 0.000 2.452 170 Q HA 0.046 4.387 4.340 0.001 0.000 0.214 170 Q C 0.677 176.708 176.000 0.051 0.000 0.966 170 Q CA 0.336 56.156 55.803 0.029 0.000 0.964 170 Q CB 0.202 28.954 28.738 0.023 0.000 0.992 170 Q HN 0.429 nan 8.270 nan 0.000 0.517 171 G N 1.816 110.645 108.800 0.049 0.000 2.269 171 G HA2 -0.342 3.619 3.960 0.001 0.000 0.277 171 G HA3 -0.342 3.619 3.960 0.001 0.000 0.277 171 G C 0.211 175.211 174.900 0.166 0.000 1.008 171 G CA 0.390 45.559 45.100 0.115 0.000 0.774 171 G HN 0.340 nan 8.290 nan 0.000 0.511 172 K N 1.105 121.550 120.400 0.074 0.000 3.216 172 K HA 0.280 4.601 4.320 0.001 0.000 0.277 172 K C 0.915 177.539 176.600 0.040 0.000 1.246 172 K CA -0.076 56.236 56.287 0.042 0.000 1.227 172 K CB 0.025 32.532 32.500 0.013 0.000 1.487 172 K HN 0.362 nan 8.250 nan 0.000 0.341 173 S N 0.857 116.619 115.700 0.102 0.000 2.589 173 S HA 0.123 4.593 4.470 0.001 0.000 0.265 173 S C 0.374 174.983 174.600 0.015 0.000 1.342 173 S CA -0.307 57.942 58.200 0.081 0.000 1.005 173 S CB 0.922 64.235 63.200 0.189 0.000 0.909 173 S HN 0.416 nan 8.310 nan 0.000 0.555 174 R N 0.632 121.134 120.500 0.003 0.000 2.540 174 R HA 0.532 4.872 4.340 0.001 0.000 0.287 174 R C -1.263 175.023 176.300 -0.023 0.000 0.980 174 R CA -0.540 55.543 56.100 -0.029 0.000 0.966 174 R CB 0.537 30.829 30.300 -0.014 0.000 1.106 174 R HN 0.537 nan 8.270 nan 0.000 0.480 175 L N 5.685 126.872 121.223 -0.060 0.000 2.322 175 L HA 0.511 4.852 4.340 0.001 0.000 0.281 175 L C 0.192 177.094 176.870 0.053 0.000 1.014 175 L CA -0.821 54.004 54.840 -0.025 0.000 0.815 175 L CB 1.700 43.671 42.059 -0.146 0.000 1.247 175 L HN 0.528 nan 8.230 nan 0.000 0.421 176 I N -0.452 120.191 120.570 0.122 0.000 2.648 176 I HA 0.520 4.690 4.170 0.001 0.000 0.304 176 I C -0.832 175.410 176.117 0.209 0.000 1.009 176 I CA -0.582 60.808 61.300 0.151 0.000 1.114 176 I CB 2.319 40.400 38.000 0.134 0.000 1.293 176 I HN 0.542 nan 8.210 nan 0.000 0.449 177 E N 5.135 125.453 120.200 0.197 0.000 2.101 177 E HA 0.389 4.739 4.350 0.001 0.000 0.260 177 E C -0.262 176.429 176.600 0.152 0.000 0.897 177 E CA -0.646 55.874 56.400 0.200 0.000 0.744 177 E CB 1.683 31.513 29.700 0.216 0.000 1.140 177 E HN 0.720 nan 8.360 nan 0.000 0.419 178 A N 3.146 126.081 122.820 0.192 0.000 2.639 178 A HA 0.069 4.390 4.320 0.001 0.000 0.295 178 A C 0.877 178.522 177.584 0.101 0.000 1.443 178 A CA 0.034 52.179 52.037 0.179 0.000 1.117 178 A CB -0.443 18.740 19.000 0.305 0.000 1.098 178 A HN 0.485 nan 8.150 nan 0.000 0.552 179 S N 2.962 118.709 115.700 0.078 0.000 2.558 179 S HA 0.157 4.627 4.470 0.001 0.000 0.287 179 S C 0.751 175.401 174.600 0.084 0.000 1.321 179 S CA 0.352 58.590 58.200 0.063 0.000 1.048 179 S CB 0.309 63.553 63.200 0.074 0.000 0.844 179 S HN 1.410 nan 8.310 nan 0.000 0.512 180 S N 3.519 119.271 115.700 0.085 0.000 2.580 180 S HA 0.182 4.652 4.470 0.001 0.000 0.274 180 S C 1.129 175.807 174.600 0.129 0.000 1.329 180 S CA -0.652 57.622 58.200 0.124 0.000 1.036 180 S CB 0.711 63.983 63.200 0.121 0.000 0.919 180 S HN 0.864 nan 8.310 nan 0.000 0.515 181 L N 4.626 125.943 121.223 0.156 0.000 2.042 181 L HA -0.081 4.259 4.340 0.001 0.000 0.210 181 L C 1.827 178.758 176.870 0.102 0.000 1.076 181 L CA 2.061 56.954 54.840 0.089 0.000 0.749 181 L CB -1.358 40.698 42.059 -0.006 0.000 0.893 181 L HN 0.774 nan 8.230 nan 0.000 0.432 182 N N -0.029 118.775 118.700 0.172 0.000 2.149 182 N HA -0.178 4.563 4.740 0.001 0.000 0.188 182 N C 1.549 177.140 175.510 0.135 0.000 1.019 182 N CA 1.592 54.736 53.050 0.157 0.000 0.857 182 N CB -0.364 38.236 38.487 0.188 0.000 0.997 182 N HN 0.483 nan 8.380 nan 0.000 0.426 183 D N -0.373 120.107 120.400 0.134 0.000 2.137 183 D HA 0.032 4.673 4.640 0.001 0.000 0.202 183 D C 1.740 178.132 176.300 0.153 0.000 0.970 183 D CA 0.688 54.780 54.000 0.154 0.000 0.837 183 D CB -0.057 40.825 40.800 0.137 0.000 0.981 183 D HN 0.144 nan 8.370 nan 0.000 0.475 184 S N 0.568 116.340 115.700 0.119 0.000 2.370 184 S HA -0.117 4.353 4.470 0.001 0.000 0.226 184 S C 2.376 177.033 174.600 0.094 0.000 1.033 184 S CA 0.646 58.911 58.200 0.108 0.000 1.011 184 S CB -0.381 62.862 63.200 0.072 0.000 0.852 184 S HN 0.079 nan 8.310 nan 0.000 0.457 185 V N 1.934 121.888 119.914 0.067 0.000 2.407 185 V HA -0.192 3.928 4.120 0.001 0.000 0.248 185 V C 2.637 178.760 176.094 0.048 0.000 1.055 185 V CA 1.702 64.026 62.300 0.040 0.000 1.049 185 V CB -1.179 30.656 31.823 0.019 0.000 0.662 185 V HN 0.563 nan 8.190 nan 0.000 0.455 186 A N -0.956 121.916 122.820 0.087 0.000 1.897 186 A HA -0.139 4.182 4.320 0.001 0.000 0.215 186 A C 2.207 179.748 177.584 -0.072 0.000 1.181 186 A CA 1.518 53.602 52.037 0.078 0.000 0.620 186 A CB -0.426 18.725 19.000 0.251 0.000 0.821 186 A HN 0.366 nan 8.150 nan 0.000 0.443 187 M N -0.262 119.362 119.600 0.041 0.000 2.108 187 M HA -0.128 4.352 4.480 0.001 0.000 0.261 187 M C 2.132 178.477 176.300 0.075 0.000 1.066 187 M CA 1.601 56.962 55.300 0.102 0.000 1.107 187 M CB -1.127 31.642 32.600 0.282 0.000 1.356 187 M HN 0.405 nan 8.290 nan 0.000 0.406 188 R N -1.047 119.496 120.500 0.071 0.000 2.153 188 R HA 0.061 4.401 4.340 0.001 0.000 0.218 188 R C 2.232 178.487 176.300 -0.075 0.000 1.072 188 R CA 0.861 56.978 56.100 0.029 0.000 0.990 188 R CB -0.109 30.257 30.300 0.111 0.000 0.889 188 R HN 0.364 nan 8.270 nan 0.000 0.452 189 M N -0.125 119.424 119.600 -0.084 0.000 2.132 189 M HA -0.061 4.419 4.480 0.001 0.000 0.263 189 M C 2.490 178.666 176.300 -0.207 0.000 1.065 189 M CA 1.601 56.836 55.300 -0.109 0.000 1.122 189 M CB -0.280 32.278 32.600 -0.071 0.000 1.365 189 M HN 0.228 nan 8.290 nan 0.000 0.411 190 A N 0.052 122.656 122.820 -0.360 0.000 1.883 190 A HA -0.136 4.185 4.320 0.001 0.000 0.217 190 A C 1.466 178.659 177.584 -0.652 0.000 1.186 190 A CA 1.740 53.381 52.037 -0.660 0.000 0.624 190 A CB -0.549 17.747 19.000 -1.172 0.000 0.822 190 A HN 0.498 nan 8.150 nan 0.000 0.444 191 F N -1.378 118.417 119.950 -0.259 0.000 2.746 191 F HA 0.284 4.812 4.527 0.001 0.000 0.320 191 F C 2.196 177.522 175.800 -0.790 0.000 1.097 191 F CA -0.288 57.432 58.000 -0.467 0.000 1.195 191 F CB -0.365 38.233 39.000 -0.671 0.000 1.056 191 F HN 0.225 nan 8.300 nan 0.000 0.562 192 G N 0.846 109.408 108.800 -0.398 0.000 2.545 192 G HA2 -0.328 3.632 3.960 0.001 0.000 0.222 192 G HA3 -0.328 3.632 3.960 0.001 0.000 0.222 192 G C 1.705 176.556 174.900 -0.083 0.000 1.126 192 G CA 1.365 46.328 45.100 -0.227 0.000 0.754 192 G HN 0.240 nan 8.290 nan 0.000 0.583 193 N N -0.131 118.567 118.700 -0.003 0.000 2.331 193 N HA -0.019 4.721 4.740 0.001 0.000 0.180 193 N C 2.030 177.620 175.510 0.132 0.000 1.019 193 N CA 0.713 53.816 53.050 0.089 0.000 0.881 193 N CB -0.110 38.446 38.487 0.115 0.000 0.972 193 N HN 0.346 nan 8.380 nan 0.000 0.435 194 L N 0.294 121.582 121.223 0.108 0.000 2.044 194 L HA -0.044 4.296 4.340 0.001 0.000 0.205 194 L C 1.769 178.711 176.870 0.120 0.000 1.075 194 L CA 1.420 56.309 54.840 0.081 0.000 0.747 194 L CB -0.811 41.129 42.059 -0.197 0.000 0.903 194 L HN -0.008 nan 8.230 nan 0.000 0.435 195 Y N 0.477 120.695 120.300 -0.136 0.000 2.114 195 Y HA -0.241 4.309 4.550 0.001 0.000 0.282 195 Y C 2.707 178.358 175.900 -0.415 0.000 1.165 195 Y CA 0.851 58.731 58.100 -0.367 0.000 1.148 195 Y CB -1.795 36.495 38.460 -0.282 0.000 0.972 195 Y HN 0.343 nan 8.280 nan 0.000 0.504 196 A N 0.137 122.977 122.820 0.033 0.000 1.877 196 A HA -0.102 4.219 4.320 0.001 0.000 0.216 196 A C 2.590 180.215 177.584 0.070 0.000 1.186 196 A CA 2.209 54.288 52.037 0.070 0.000 0.620 196 A CB -1.255 17.804 19.000 0.099 0.000 0.822 196 A HN 0.392 nan 8.150 nan 0.000 0.443 197 A N -1.120 121.752 122.820 0.087 0.000 1.883 197 A HA -0.072 4.249 4.320 0.001 0.000 0.217 197 A C 1.987 179.586 177.584 0.024 0.000 1.186 197 A CA 1.708 53.781 52.037 0.060 0.000 0.624 197 A CB -0.833 18.207 19.000 0.066 0.000 0.822 197 A HN 0.457 nan 8.150 nan 0.000 0.444 198 F N -0.145 119.752 119.950 -0.090 0.000 2.069 198 F HA -0.209 4.319 4.527 0.001 0.000 0.298 198 F C 2.432 178.219 175.800 -0.021 0.000 1.113 198 F CA 2.176 60.123 58.000 -0.090 0.000 1.214 198 F CB -0.887 38.014 39.000 -0.166 0.000 0.978 198 F HN 0.413 nan 8.300 nan 0.000 0.474 199 H N -0.725 118.439 119.070 0.156 0.000 2.390 199 H HA -0.155 4.402 4.556 0.001 0.000 0.298 199 H C 1.867 177.208 175.328 0.021 0.000 1.106 199 H CA 1.293 57.374 56.048 0.055 0.000 1.297 199 H CB -0.167 29.623 29.762 0.047 0.000 1.375 199 H HN 0.212 nan 8.280 nan 0.000 0.509 200 K N 0.316 120.802 120.400 0.144 0.000 2.486 200 K HA 0.010 4.331 4.320 0.001 0.000 0.194 200 K C 0.137 176.759 176.600 0.036 0.000 1.033 200 K CA 0.371 56.703 56.287 0.076 0.000 1.004 200 K CB 0.431 32.968 32.500 0.062 0.000 0.798 200 K HN 0.348 nan 8.250 nan 0.000 0.495 201 N N 1.081 119.788 118.700 0.013 0.000 2.646 201 N HA 0.138 4.878 4.740 0.001 0.000 0.296 201 N C -2.873 172.627 175.510 -0.016 0.000 1.886 201 N CA -0.832 52.207 53.050 -0.018 0.000 0.855 201 N CB 1.347 39.787 38.487 -0.078 0.000 1.336 201 N HN 0.044 nan 8.380 nan 0.000 0.496 202 P HA 0.252 nan 4.420 nan 0.000 0.269 202 P C 0.642 178.051 177.300 0.182 0.000 1.215 202 P CA 0.797 63.903 63.100 0.011 0.000 0.780 202 P CB 1.198 32.751 31.700 -0.245 0.000 0.898 203 G N 0.107 109.085 108.800 0.298 0.000 2.302 203 G HA2 0.057 4.017 3.960 0.001 0.000 0.264 203 G HA3 0.057 4.017 3.960 0.001 0.000 0.264 203 G C 0.181 175.188 174.900 0.177 0.000 1.335 203 G CA -0.151 45.142 45.100 0.322 0.000 0.982 203 G HN 0.433 nan 8.290 nan 0.000 0.473 204 V N -1.125 118.853 119.914 0.107 0.000 3.621 204 V HA 0.478 4.598 4.120 0.001 0.000 0.285 204 V C 2.082 178.217 176.094 0.068 0.000 1.346 204 V CA 1.178 63.519 62.300 0.069 0.000 1.104 204 V CB -0.271 31.573 31.823 0.035 0.000 0.913 204 V HN 0.595 nan 8.190 nan 0.000 0.432 205 I N 2.025 122.624 120.570 0.047 0.000 2.585 205 I HA -0.071 4.099 4.170 0.001 0.000 0.254 205 I C 2.626 178.744 176.117 0.002 0.000 1.129 205 I CA 1.670 62.981 61.300 0.018 0.000 1.455 205 I CB -0.145 37.844 38.000 -0.018 0.000 1.111 205 I HN 0.455 nan 8.210 nan 0.000 0.433 206 T N -1.763 112.757 114.554 -0.057 0.000 3.067 206 T HA 0.130 4.480 4.350 0.001 0.000 0.261 206 T C 1.649 176.466 174.700 0.195 0.000 1.110 206 T CA 0.483 62.501 62.100 -0.137 0.000 1.113 206 T CB -0.118 68.424 68.868 -0.543 0.000 0.917 206 T HN 0.455 nan 8.240 nan 0.000 0.499 207 G N 0.922 109.815 108.800 0.154 0.000 2.283 207 G HA2 -0.205 3.755 3.960 0.001 0.000 0.280 207 G HA3 -0.205 3.755 3.960 0.001 0.000 0.280 207 G C 0.031 175.028 174.900 0.162 0.000 1.029 207 G CA 0.479 45.658 45.100 0.132 0.000 0.840 207 G HN 1.038 nan 8.290 nan 0.000 0.505 208 S N -1.448 114.365 115.700 0.188 0.000 2.541 208 S HA 0.788 5.259 4.470 0.001 0.000 0.280 208 S C 0.690 175.399 174.600 0.182 0.000 1.112 208 S CA 0.441 58.758 58.200 0.195 0.000 0.925 208 S CB 1.773 65.156 63.200 0.304 0.000 1.067 208 S HN 1.575 nan 8.310 nan 0.000 0.479 209 A N 3.402 126.334 122.820 0.187 0.000 2.348 209 A HA 0.416 4.736 4.320 0.001 0.000 0.224 209 A C 0.297 177.874 177.584 -0.011 0.000 1.227 209 A CA -0.040 52.107 52.037 0.182 0.000 0.885 209 A CB -0.126 19.209 19.000 0.558 0.000 0.933 209 A HN 0.744 nan 8.150 nan 0.000 0.506 210 V N 0.998 120.759 119.914 -0.254 0.000 2.452 210 V HA 0.377 4.497 4.120 0.001 0.000 0.286 210 V C 1.454 177.536 176.094 -0.020 0.000 0.995 210 V CA 1.513 63.654 62.300 -0.266 0.000 1.116 210 V CB -0.221 31.428 31.823 -0.289 0.000 0.954 210 V HN 1.056 nan 8.190 nan 0.000 0.473 211 G N 3.196 111.979 108.800 -0.028 0.000 2.154 211 G HA2 -0.191 3.769 3.960 0.001 0.000 0.186 211 G HA3 -0.191 3.769 3.960 0.001 0.000 0.186 211 G C 0.223 175.054 174.900 -0.115 0.000 1.000 211 G CA -0.188 44.877 45.100 -0.059 0.000 0.664 211 G HN 1.219 nan 8.290 nan 0.000 0.513 212 C N -0.208 118.987 119.300 -0.174 0.000 2.335 212 C HA 0.824 5.284 4.460 0.001 0.000 0.363 212 C C 0.022 174.945 174.990 -0.112 0.000 1.198 212 C CA -0.733 58.084 59.018 -0.335 0.000 2.279 212 C CB 1.947 29.166 27.740 -0.868 0.000 2.334 212 C HN 0.392 nan 8.230 nan 0.000 0.559 213 D N 1.935 122.318 120.400 -0.028 0.000 2.461 213 D HA 0.421 5.062 4.640 0.001 0.000 0.240 213 D C -1.779 174.598 176.300 0.128 0.000 1.094 213 D CA -2.058 51.961 54.000 0.030 0.000 0.868 213 D CB 1.642 42.456 40.800 0.023 0.000 1.062 213 D HN 0.302 nan 8.370 nan 0.000 0.530 214 P HA -0.093 nan 4.420 nan 0.000 0.217 214 P C 0.573 177.801 177.300 -0.119 0.000 1.148 214 P CA 0.805 63.829 63.100 -0.127 0.000 0.828 214 P CB 0.411 31.745 31.700 -0.611 0.000 0.783 215 D N -1.690 118.691 120.400 -0.032 0.000 2.309 215 D HA -0.053 4.588 4.640 0.001 0.000 0.212 215 D C 1.580 178.041 176.300 0.269 0.000 0.968 215 D CA 0.943 55.036 54.000 0.154 0.000 0.882 215 D CB -0.185 40.768 40.800 0.255 0.000 0.918 215 D HN 0.228 nan 8.370 nan 0.000 0.503 216 L N -1.880 119.452 121.223 0.183 0.000 2.685 216 L HA 0.147 4.487 4.340 0.001 0.000 0.235 216 L C 1.517 178.619 176.870 0.388 0.000 1.070 216 L CA -0.112 54.810 54.840 0.137 0.000 0.888 216 L CB 0.167 42.210 42.059 -0.025 0.000 1.203 216 L HN -0.112 nan 8.230 nan 0.000 0.499 217 F N 0.120 120.247 119.950 0.296 0.000 2.234 217 F HA -0.070 4.457 4.527 0.001 0.000 0.296 217 F C 2.132 178.231 175.800 0.499 0.000 1.089 217 F CA 1.155 59.381 58.000 0.375 0.000 1.343 217 F CB -0.199 39.055 39.000 0.423 0.000 1.040 217 F HN 0.057 nan 8.300 nan 0.000 0.498 218 W N 0.254 121.658 121.300 0.172 0.000 2.331 218 W HA -0.262 4.399 4.660 0.001 0.000 0.291 218 W C 2.286 178.853 176.519 0.080 0.000 1.214 218 W CA 1.203 58.608 57.345 0.099 0.000 1.228 218 W CB -0.382 29.057 29.460 -0.035 0.000 1.135 218 W HN -0.004 nan 8.180 nan 0.000 0.537 219 S N -0.480 115.403 115.700 0.305 0.000 2.461 219 S HA -0.083 4.387 4.470 0.001 0.000 0.228 219 S C 1.571 176.191 174.600 0.033 0.000 1.005 219 S CA 0.724 59.011 58.200 0.145 0.000 0.942 219 S CB -0.116 63.184 63.200 0.167 0.000 0.776 219 S HN 0.243 nan 8.310 nan 0.000 0.514 220 K N 0.877 121.278 120.400 0.001 0.000 2.167 220 K HA 0.145 4.465 4.320 0.001 0.000 0.203 220 K C 1.842 178.317 176.600 -0.209 0.000 1.052 220 K CA 0.637 56.866 56.287 -0.097 0.000 0.956 220 K CB -0.156 32.272 32.500 -0.120 0.000 0.735 220 K HN 0.325 nan 8.250 nan 0.000 0.451 221 I N 1.221 121.606 120.570 -0.310 0.000 2.142 221 I HA -0.208 3.962 4.170 0.001 0.000 0.240 221 I C -1.012 175.006 176.117 -0.165 0.000 1.078 221 I CA 1.197 62.310 61.300 -0.312 0.000 1.343 221 I CB -0.968 36.822 38.000 -0.351 0.000 1.046 221 I HN 0.045 nan 8.210 nan 0.000 0.405 222 P HA -0.129 nan 4.420 nan 0.000 0.218 222 P C 1.826 179.099 177.300 -0.044 0.000 1.148 222 P CA 1.165 64.133 63.100 -0.221 0.000 0.822 222 P CB 0.002 31.269 31.700 -0.722 0.000 0.784 223 V N -1.134 118.726 119.914 -0.090 0.000 2.759 223 V HA -0.163 3.957 4.120 0.001 0.000 0.256 223 V C 2.157 178.229 176.094 -0.037 0.000 1.080 223 V CA 1.501 63.769 62.300 -0.053 0.000 1.101 223 V CB -0.926 30.866 31.823 -0.052 0.000 0.698 223 V HN 0.125 nan 8.190 nan 0.000 0.477 224 L N -1.745 119.448 121.223 -0.049 0.000 2.357 224 L HA 0.170 4.510 4.340 0.001 0.000 0.211 224 L C 1.194 178.039 176.870 -0.043 0.000 1.075 224 L CA 0.022 54.835 54.840 -0.045 0.000 0.830 224 L CB -0.188 41.831 42.059 -0.066 0.000 0.996 224 L HN 0.253 nan 8.230 nan 0.000 0.467 225 M N 0.467 120.043 119.600 -0.040 0.000 2.207 225 M HA 0.086 4.566 4.480 0.001 0.000 0.311 225 M C 0.490 176.753 176.300 -0.062 0.000 1.127 225 M CA 0.541 55.798 55.300 -0.072 0.000 1.181 225 M CB 0.109 32.645 32.600 -0.106 0.000 1.409 225 M HN 0.001 nan 8.290 nan 0.000 0.461 226 E N 0.938 121.077 120.200 -0.102 0.000 2.345 226 E HA 0.062 4.412 4.350 0.001 0.000 0.259 226 E C 0.833 177.349 176.600 -0.140 0.000 1.117 226 E CA -0.479 55.838 56.400 -0.138 0.000 0.913 226 E CB 0.566 30.148 29.700 -0.198 0.000 1.057 226 E HN 0.430 nan 8.360 nan 0.000 0.432 227 E N 0.567 120.676 120.200 -0.151 0.000 2.253 227 E HA -0.182 4.169 4.350 0.001 0.000 0.202 227 E C -0.164 176.344 176.600 -0.153 0.000 1.014 227 E CA 1.473 57.798 56.400 -0.125 0.000 0.823 227 E CB 0.217 29.834 29.700 -0.138 0.000 0.736 227 E HN 0.207 nan 8.360 nan 0.000 0.478 228 K N 0.196 120.500 120.400 -0.161 0.000 2.345 228 K HA 0.439 4.759 4.320 0.001 0.000 0.255 228 K C -0.087 176.416 176.600 -0.161 0.000 0.934 228 K CA -0.550 55.650 56.287 -0.146 0.000 0.801 228 K CB 1.946 34.410 32.500 -0.060 0.000 1.137 228 K HN -0.104 nan 8.250 nan 0.000 0.424 229 L N 2.856 123.921 121.223 -0.262 0.000 2.334 229 L HA 0.655 4.995 4.340 0.001 0.000 0.273 229 L C -0.188 176.611 176.870 -0.119 0.000 1.013 229 L CA -1.167 53.476 54.840 -0.329 0.000 0.816 229 L CB 0.597 42.267 42.059 -0.648 0.000 1.278 229 L HN 0.522 nan 8.230 nan 0.000 0.431 230 F N 0.084 119.829 119.950 -0.343 0.000 2.650 230 F HA 1.021 5.548 4.527 0.001 0.000 0.320 230 F C -0.517 175.022 175.800 -0.435 0.000 1.091 230 F CA -1.120 56.683 58.000 -0.328 0.000 0.962 230 F CB 1.630 40.458 39.000 -0.288 0.000 1.363 230 F HN 0.661 nan 8.300 nan 0.000 0.482 231 A N 0.930 123.486 122.820 -0.440 0.000 2.515 231 A HA 0.870 5.190 4.320 0.001 0.000 0.292 231 A C -1.944 175.307 177.584 -0.556 0.000 1.065 231 A CA -0.403 51.218 52.037 -0.694 0.000 0.641 231 A CB 1.168 19.881 19.000 -0.478 0.000 1.306 231 A HN 1.741 nan 8.150 nan 0.000 0.441 232 F N -1.662 118.224 119.950 -0.106 0.000 3.031 232 F HA 0.760 5.288 4.527 0.001 0.000 0.326 232 F C -1.245 174.532 175.800 -0.038 0.000 1.143 232 F CA -0.735 57.218 58.000 -0.077 0.000 0.871 232 F CB 0.321 39.238 39.000 -0.139 0.000 1.377 232 F HN 0.658 nan 8.300 nan 0.000 0.462 233 D N -0.986 119.573 120.400 0.264 0.000 2.497 233 D HA 0.520 5.161 4.640 0.001 0.000 0.243 233 D C -1.792 174.583 176.300 0.124 0.000 1.039 233 D CA -0.185 53.952 54.000 0.228 0.000 1.052 233 D CB 2.438 43.332 40.800 0.155 0.000 1.344 233 D HN 0.477 nan 8.370 nan 0.000 0.553 234 Y N -0.652 119.706 120.300 0.097 0.000 2.598 234 Y HA 0.315 4.865 4.550 0.001 0.000 0.340 234 Y C 0.527 176.488 175.900 0.103 0.000 1.038 234 Y CA -0.681 57.485 58.100 0.111 0.000 1.100 234 Y CB 2.028 40.629 38.460 0.234 0.000 1.281 234 Y HN 0.071 nan 8.280 nan 0.000 0.488 235 T N 1.246 115.949 114.554 0.248 0.000 2.744 235 T HA 0.444 4.795 4.350 0.001 0.000 0.291 235 T C 0.290 175.095 174.700 0.175 0.000 0.957 235 T CA 0.096 62.292 62.100 0.160 0.000 1.002 235 T CB -0.214 68.710 68.868 0.094 0.000 0.919 235 T HN 1.023 nan 8.240 nan 0.000 0.468 236 G N 4.669 113.551 108.800 0.137 0.000 2.334 236 G HA2 -0.294 3.667 3.960 0.001 0.000 0.279 236 G HA3 -0.294 3.667 3.960 0.001 0.000 0.279 236 G C 0.318 175.308 174.900 0.150 0.000 0.918 236 G CA 0.902 46.067 45.100 0.109 0.000 1.314 236 G HN 0.895 nan 8.290 nan 0.000 0.463 237 Y N 1.479 121.810 120.300 0.053 0.000 2.084 237 Y HA -0.197 4.353 4.550 0.001 0.000 0.279 237 Y C 2.630 178.530 175.900 -0.001 0.000 1.119 237 Y CA 2.604 60.704 58.100 -0.001 0.000 1.101 237 Y CB -0.178 38.245 38.460 -0.062 0.000 0.989 237 Y HN 0.564 nan 8.280 nan 0.000 0.484 238 D N 0.248 120.719 120.400 0.118 0.000 2.203 238 D HA -0.252 4.388 4.640 0.001 0.000 0.199 238 D C 1.788 178.125 176.300 0.062 0.000 0.997 238 D CA 1.799 55.834 54.000 0.059 0.000 0.863 238 D CB -0.957 39.953 40.800 0.184 0.000 0.928 238 D HN 0.424 nan 8.370 nan 0.000 0.458 239 A N 0.208 123.073 122.820 0.075 0.000 2.132 239 A HA 0.092 4.413 4.320 0.001 0.000 0.213 239 A C 2.100 179.745 177.584 0.102 0.000 1.154 239 A CA 0.915 53.028 52.037 0.125 0.000 0.753 239 A CB -0.215 18.832 19.000 0.080 0.000 0.826 239 A HN 0.349 nan 8.150 nan 0.000 0.469 240 S N -0.421 115.300 115.700 0.035 0.000 2.593 240 S HA 0.311 4.782 4.470 0.001 0.000 0.217 240 S C 0.335 174.957 174.600 0.037 0.000 0.966 240 S CA -0.329 57.900 58.200 0.047 0.000 0.914 240 S CB -0.520 62.708 63.200 0.046 0.000 0.776 240 S HN 0.346 nan 8.310 nan 0.000 0.523 241 L N 3.659 124.886 121.223 0.006 0.000 2.315 241 L HA 0.323 4.664 4.340 0.001 0.000 0.283 241 L C 0.590 177.670 176.870 0.350 0.000 1.089 241 L CA -0.493 54.393 54.840 0.078 0.000 0.833 241 L CB 0.698 42.732 42.059 -0.042 0.000 1.170 241 L HN 0.304 nan 8.230 nan 0.000 0.442 242 S N 2.831 118.788 115.700 0.429 0.000 2.616 242 S HA 0.390 4.860 4.470 0.001 0.000 0.277 242 S C -1.866 173.002 174.600 0.446 0.000 1.234 242 S CA -1.394 57.025 58.200 0.365 0.000 1.028 242 S CB 1.552 64.922 63.200 0.284 0.000 0.988 242 S HN 0.338 nan 8.310 nan 0.000 0.522 243 P HA -0.178 nan 4.420 nan 0.000 0.218 243 P C 1.497 178.920 177.300 0.205 0.000 1.150 243 P CA 2.076 65.316 63.100 0.234 0.000 0.841 243 P CB -0.215 31.532 31.700 0.077 0.000 0.784 244 A N -2.134 120.730 122.820 0.074 0.000 1.933 244 A HA -0.177 4.144 4.320 0.001 0.000 0.218 244 A C 2.051 179.545 177.584 -0.149 0.000 1.175 244 A CA 1.404 53.378 52.037 -0.104 0.000 0.628 244 A CB -1.721 17.118 19.000 -0.267 0.000 0.814 244 A HN 0.260 nan 8.150 nan 0.000 0.444 245 W N -1.518 119.820 121.300 0.062 0.000 2.407 245 W HA 0.012 4.672 4.660 0.001 0.000 0.305 245 W C 1.968 178.415 176.519 -0.121 0.000 1.196 245 W CA 0.381 57.681 57.345 -0.075 0.000 1.311 245 W CB -0.514 28.830 29.460 -0.194 0.000 1.135 245 W HN 0.326 nan 8.180 nan 0.000 0.514 246 F N 0.727 120.787 119.950 0.184 0.000 2.120 246 F HA -0.285 4.242 4.527 0.001 0.000 0.300 246 F C 2.407 178.219 175.800 0.021 0.000 1.095 246 F CA 2.126 60.161 58.000 0.060 0.000 1.249 246 F CB -1.022 37.996 39.000 0.030 0.000 0.995 246 F HN -0.025 nan 8.300 nan 0.000 0.480 247 E N 0.323 120.638 120.200 0.191 0.000 2.150 247 E HA -0.177 4.173 4.350 0.001 0.000 0.193 247 E C 2.267 178.905 176.600 0.063 0.000 0.985 247 E CA 0.856 57.310 56.400 0.090 0.000 0.814 247 E CB -0.150 29.577 29.700 0.046 0.000 0.752 247 E HN 0.343 nan 8.360 nan 0.000 0.466 248 A N 1.105 123.963 122.820 0.063 0.000 1.930 248 A HA -0.144 4.176 4.320 0.001 0.000 0.217 248 A C 2.085 179.730 177.584 0.102 0.000 1.175 248 A CA 1.127 53.211 52.037 0.078 0.000 0.627 248 A CB -0.566 18.500 19.000 0.109 0.000 0.815 248 A HN 0.383 nan 8.150 nan 0.000 0.443 249 L N 0.055 121.325 121.223 0.079 0.000 1.976 249 L HA -0.160 4.181 4.340 0.001 0.000 0.209 249 L C 2.216 179.098 176.870 0.020 0.000 1.071 249 L CA 2.480 57.336 54.840 0.027 0.000 0.746 249 L CB -0.813 41.191 42.059 -0.092 0.000 0.890 249 L HN 0.368 nan 8.230 nan 0.000 0.432 250 K N -0.879 119.533 120.400 0.020 0.000 2.052 250 K HA -0.268 4.052 4.320 0.001 0.000 0.215 250 K C 2.031 178.672 176.600 0.068 0.000 1.053 250 K CA 2.499 58.813 56.287 0.045 0.000 0.934 250 K CB -0.440 32.090 32.500 0.050 0.000 0.717 250 K HN 0.397 nan 8.250 nan 0.000 0.450 251 M N 0.327 119.966 119.600 0.065 0.000 2.195 251 M HA -0.192 4.288 4.480 0.001 0.000 0.260 251 M C 2.171 178.520 176.300 0.082 0.000 1.066 251 M CA 1.316 56.657 55.300 0.068 0.000 1.089 251 M CB -0.351 32.286 32.600 0.061 0.000 1.377 251 M HN -0.002 nan 8.290 nan 0.000 0.411 252 V N 0.493 120.461 119.914 0.090 0.000 2.346 252 V HA -0.195 3.926 4.120 0.001 0.000 0.244 252 V C 2.301 178.448 176.094 0.089 0.000 1.037 252 V CA 1.353 63.707 62.300 0.089 0.000 1.029 252 V CB -0.539 31.352 31.823 0.114 0.000 0.663 252 V HN 0.441 nan 8.190 nan 0.000 0.454 253 L N 0.084 121.363 121.223 0.094 0.000 2.043 253 L HA -0.226 4.115 4.340 0.001 0.000 0.212 253 L C 2.747 179.758 176.870 0.235 0.000 1.075 253 L CA 1.913 56.846 54.840 0.155 0.000 0.752 253 L CB -0.578 41.581 42.059 0.167 0.000 0.891 253 L HN 0.423 nan 8.230 nan 0.000 0.432 254 E N 0.855 121.155 120.200 0.167 0.000 2.072 254 E HA -0.195 4.156 4.350 0.001 0.000 0.190 254 E C 2.014 178.683 176.600 0.116 0.000 0.982 254 E CA 1.134 57.620 56.400 0.143 0.000 0.803 254 E CB 0.120 29.880 29.700 0.101 0.000 0.755 254 E HN 0.459 nan 8.360 nan 0.000 0.453 255 K N 0.461 120.920 120.400 0.097 0.000 2.280 255 K HA -0.102 4.218 4.320 0.001 0.000 0.202 255 K C 2.194 178.845 176.600 0.086 0.000 1.047 255 K CA 1.351 57.684 56.287 0.075 0.000 0.942 255 K CB -0.232 32.303 32.500 0.058 0.000 0.739 255 K HN 0.342 nan 8.250 nan 0.000 0.457 256 I N -4.570 116.081 120.570 0.135 0.000 3.783 256 I HA 0.289 4.460 4.170 0.001 0.000 0.310 256 I C 1.076 177.338 176.117 0.241 0.000 1.274 256 I CA 0.367 61.768 61.300 0.169 0.000 1.294 256 I CB 0.821 38.918 38.000 0.162 0.000 1.051 256 I HN 0.093 nan 8.210 nan 0.000 0.435 257 G N 0.757 109.695 108.800 0.230 0.000 2.370 257 G HA2 -0.160 3.800 3.960 0.001 0.000 0.174 257 G HA3 -0.160 3.800 3.960 0.001 0.000 0.174 257 G C 0.157 174.998 174.900 -0.100 0.000 1.002 257 G CA -0.312 44.814 45.100 0.043 0.000 0.730 257 G HN 0.269 nan 8.290 nan 0.000 0.497 258 F N 2.085 122.073 119.950 0.064 0.000 2.647 258 F HA 0.391 4.918 4.527 0.001 0.000 0.300 258 F C 2.245 178.090 175.800 0.076 0.000 1.106 258 F CA 0.307 58.351 58.000 0.073 0.000 1.313 258 F CB 0.476 39.591 39.000 0.191 0.000 1.007 258 F HN 0.161 nan 8.300 nan 0.000 0.536 259 G N 0.920 109.819 108.800 0.165 0.000 2.505 259 G HA2 -0.354 3.607 3.960 0.001 0.000 0.220 259 G HA3 -0.354 3.607 3.960 0.001 0.000 0.220 259 G C 1.518 176.475 174.900 0.094 0.000 1.145 259 G CA 1.492 46.663 45.100 0.119 0.000 0.761 259 G HN 0.448 nan 8.290 nan 0.000 0.571 260 D N 0.857 121.289 120.400 0.053 0.000 2.309 260 D HA -0.125 4.515 4.640 0.001 0.000 0.212 260 D C 1.915 178.265 176.300 0.083 0.000 0.968 260 D CA 0.775 54.800 54.000 0.041 0.000 0.882 260 D CB -0.258 40.541 40.800 -0.002 0.000 0.918 260 D HN 0.517 nan 8.370 nan 0.000 0.503 261 R N 0.850 121.430 120.500 0.133 0.000 2.535 261 R HA 0.161 4.501 4.340 0.001 0.000 0.323 261 R C 1.954 178.483 176.300 0.381 0.000 0.979 261 R CA 0.291 56.535 56.100 0.239 0.000 1.120 261 R CB -0.778 29.556 30.300 0.056 0.000 1.306 261 R HN 0.169 nan 8.270 nan 0.000 0.540 262 V N 0.555 120.640 119.914 0.284 0.000 2.794 262 V HA -0.240 3.880 4.120 0.001 0.000 0.260 262 V C 1.623 177.786 176.094 0.116 0.000 1.103 262 V CA 2.175 64.615 62.300 0.233 0.000 1.125 262 V CB -0.701 31.206 31.823 0.140 0.000 0.702 262 V HN 0.238 nan 8.190 nan 0.000 0.494 263 D N -1.147 119.275 120.400 0.035 0.000 2.347 263 D HA -0.162 4.478 4.640 0.001 0.000 0.215 263 D C 1.735 177.772 176.300 -0.439 0.000 0.976 263 D CA 0.705 54.571 54.000 -0.222 0.000 0.884 263 D CB -0.651 39.984 40.800 -0.275 0.000 0.915 263 D HN 0.531 nan 8.370 nan 0.000 0.526 264 Y N 0.734 120.999 120.300 -0.059 0.000 2.333 264 Y HA -0.077 4.473 4.550 0.001 0.000 0.290 264 Y C 2.222 178.164 175.900 0.071 0.000 1.144 264 Y CA 0.593 58.773 58.100 0.134 0.000 1.228 264 Y CB 0.022 38.754 38.460 0.455 0.000 0.985 264 Y HN -0.026 nan 8.280 nan 0.000 0.542 265 I N -0.389 120.254 120.570 0.122 0.000 2.353 265 I HA -0.219 3.951 4.170 0.001 0.000 0.248 265 I C 1.618 177.716 176.117 -0.032 0.000 1.119 265 I CA 1.109 62.420 61.300 0.018 0.000 1.417 265 I CB -1.208 36.769 38.000 -0.039 0.000 1.078 265 I HN 0.211 nan 8.210 nan 0.000 0.421 266 D N 0.408 120.724 120.400 -0.141 0.000 2.218 266 D HA -0.199 4.442 4.640 0.001 0.000 0.204 266 D C 2.119 178.390 176.300 -0.047 0.000 0.976 266 D CA 1.202 55.114 54.000 -0.146 0.000 0.853 266 D CB -0.232 40.448 40.800 -0.199 0.000 0.939 266 D HN 0.325 nan 8.370 nan 0.000 0.481 267 Y N 0.765 121.094 120.300 0.048 0.000 2.352 267 Y HA 0.020 4.570 4.550 0.001 0.000 0.292 267 Y C 2.399 178.323 175.900 0.040 0.000 1.136 267 Y CA 0.062 58.193 58.100 0.052 0.000 1.227 267 Y CB -0.739 37.750 38.460 0.049 0.000 0.991 267 Y HN -0.011 nan 8.280 nan 0.000 0.545 268 L N -0.346 120.974 121.223 0.161 0.000 2.217 268 L HA -0.164 4.177 4.340 0.001 0.000 0.211 268 L C 1.358 178.164 176.870 -0.106 0.000 1.107 268 L CA 1.238 56.121 54.840 0.071 0.000 0.783 268 L CB -0.486 41.642 42.059 0.115 0.000 0.919 268 L HN 0.317 nan 8.230 nan 0.000 0.442 269 N N -1.734 116.854 118.700 -0.187 0.000 2.463 269 N HA -0.090 4.651 4.740 0.001 0.000 0.181 269 N C 0.622 176.108 175.510 -0.040 0.000 1.078 269 N CA 0.178 53.046 53.050 -0.303 0.000 0.902 269 N CB 0.223 38.523 38.487 -0.312 0.000 0.970 269 N HN 0.299 nan 8.380 nan 0.000 0.451 270 H N 0.831 119.873 119.070 -0.047 0.000 2.761 270 H HA 0.232 4.789 4.556 0.001 0.000 0.263 270 H C -1.173 174.210 175.328 0.092 0.000 1.292 270 H CA -0.529 55.526 56.048 0.012 0.000 1.540 270 H CB 0.531 30.335 29.762 0.071 0.000 1.569 270 H HN 0.025 nan 8.280 nan 0.000 0.510 271 S N 3.142 118.760 115.700 -0.136 0.000 2.568 271 S HA 0.454 4.925 4.470 0.001 0.000 0.302 271 S C -0.829 173.661 174.600 -0.182 0.000 1.082 271 S CA -0.923 57.205 58.200 -0.120 0.000 1.009 271 S CB 2.061 65.179 63.200 -0.136 0.000 1.069 271 S HN 0.561 nan 8.310 nan 0.000 0.500 272 H N 0.530 119.327 119.070 -0.454 0.000 2.529 272 H HA 0.611 5.167 4.556 0.001 0.000 0.348 272 H C -0.388 174.588 175.328 -0.587 0.000 1.152 272 H CA -0.501 55.271 56.048 -0.460 0.000 1.202 272 H CB 0.925 30.453 29.762 -0.390 0.000 1.562 272 H HN 0.682 nan 8.280 nan 0.000 0.515 273 H N 1.770 120.416 119.070 -0.707 0.000 2.679 273 H HA 0.343 4.899 4.556 0.001 0.000 0.360 273 H C -0.422 174.582 175.328 -0.541 0.000 1.105 273 H CA -0.790 54.857 56.048 -0.669 0.000 1.196 273 H CB 2.259 31.479 29.762 -0.902 0.000 1.636 273 H HN 0.263 nan 8.280 nan 0.000 0.531 274 L N 2.039 123.124 121.223 -0.230 0.000 2.399 274 L HA 0.296 4.636 4.340 0.001 0.000 0.265 274 L C -0.792 176.144 176.870 0.111 0.000 1.089 274 L CA -0.697 54.077 54.840 -0.110 0.000 0.802 274 L CB 0.745 42.666 42.059 -0.230 0.000 1.180 274 L HN 0.623 nan 8.230 nan 0.000 0.454 275 Y N 2.236 122.555 120.300 0.031 0.000 2.412 275 Y HA 0.226 4.776 4.550 0.001 0.000 0.339 275 Y C 0.126 176.052 175.900 0.042 0.000 1.151 275 Y CA -0.559 57.580 58.100 0.065 0.000 1.355 275 Y CB 0.326 38.942 38.460 0.259 0.000 1.120 275 Y HN 0.738 nan 8.280 nan 0.000 0.529 276 K N 1.331 121.570 120.400 -0.268 0.000 3.807 276 K HA -0.344 3.976 4.320 0.001 0.000 0.199 276 K C 0.779 177.368 176.600 -0.020 0.000 0.845 276 K CA 2.517 58.694 56.287 -0.184 0.000 0.580 276 K CB -1.311 31.040 32.500 -0.248 0.000 0.757 276 K HN 0.820 nan 8.250 nan 0.000 0.744 277 N N 0.373 119.099 118.700 0.043 0.000 2.322 277 N HA 0.030 4.771 4.740 0.001 0.000 0.181 277 N C 0.064 175.645 175.510 0.119 0.000 1.088 277 N CA -0.101 52.995 53.050 0.078 0.000 0.885 277 N CB 0.346 38.875 38.487 0.070 0.000 1.013 277 N HN 0.085 nan 8.380 nan 0.000 0.472 278 K N 1.226 121.725 120.400 0.165 0.000 2.318 278 K HA 0.303 4.623 4.320 0.001 0.000 0.243 278 K C -0.373 176.348 176.600 0.203 0.000 1.047 278 K CA 0.198 56.592 56.287 0.178 0.000 0.937 278 K CB 0.831 33.427 32.500 0.161 0.000 1.225 278 K HN -0.044 nan 8.250 nan 0.000 0.506 279 T N 1.465 116.149 114.554 0.216 0.000 4.009 279 T HA 0.196 4.547 4.350 0.001 0.000 0.323 279 T C -1.110 173.638 174.700 0.080 0.000 0.760 279 T CA -0.729 61.472 62.100 0.169 0.000 0.987 279 T CB -0.210 68.822 68.868 0.273 0.000 1.070 279 T HN 0.494 nan 8.240 nan 0.000 0.471 280 Y N -0.369 119.771 120.300 -0.266 0.000 2.618 280 Y HA 0.908 5.458 4.550 0.001 0.000 0.326 280 Y C 0.210 175.548 175.900 -0.937 0.000 1.168 280 Y CA -1.450 56.300 58.100 -0.585 0.000 1.269 280 Y CB 0.794 38.955 38.460 -0.499 0.000 1.388 280 Y HN 0.623 nan 8.280 nan 0.000 0.528 281 C N 1.224 119.866 119.300 -1.097 0.000 2.802 281 C HA 0.919 5.380 4.460 0.001 0.000 0.307 281 C C -1.219 173.391 174.990 -0.634 0.000 1.222 281 C CA -0.382 57.933 59.018 -1.171 0.000 1.580 281 C CB 1.071 27.833 27.740 -1.630 0.000 2.119 281 C HN 0.824 nan 8.230 nan 0.000 0.479 282 V N 3.698 123.333 119.914 -0.466 0.000 3.007 282 V HA 0.647 4.767 4.120 0.001 0.000 0.311 282 V C -0.826 175.184 176.094 -0.141 0.000 1.120 282 V CA -0.657 61.444 62.300 -0.332 0.000 0.980 282 V CB 2.198 33.764 31.823 -0.427 0.000 1.033 282 V HN 0.889 nan 8.190 nan 0.000 0.429 283 K N 1.715 122.052 120.400 -0.104 0.000 2.507 283 K HA 0.708 5.028 4.320 0.001 0.000 0.251 283 K C 0.060 176.615 176.600 -0.075 0.000 0.943 283 K CA 0.037 56.301 56.287 -0.038 0.000 0.794 283 K CB 2.008 34.504 32.500 -0.007 0.000 1.188 283 K HN 1.320 nan 8.250 nan 0.000 0.428 284 G N 1.463 110.175 108.800 -0.147 0.000 2.728 284 G HA2 0.211 4.172 3.960 0.001 0.000 0.294 284 G HA3 0.211 4.172 3.960 0.001 0.000 0.294 284 G C 0.042 174.847 174.900 -0.158 0.000 1.342 284 G CA -0.322 44.663 45.100 -0.192 0.000 0.866 284 G HN 1.148 nan 8.290 nan 0.000 0.534 285 G N -1.914 106.913 108.800 0.045 0.000 2.757 285 G HA2 0.279 4.239 3.960 0.001 0.000 0.686 285 G HA3 0.279 4.239 3.960 0.001 0.000 0.686 285 G C -0.140 174.950 174.900 0.317 0.000 1.452 285 G CA 0.700 45.940 45.100 0.232 0.000 0.922 285 G HN 2.223 nan 8.290 nan 0.000 0.588 286 M N 3.044 122.908 119.600 0.440 0.000 2.113 286 M HA 0.562 5.042 4.480 0.001 0.000 0.352 286 M C -1.944 174.522 176.300 0.276 0.000 1.170 286 M CA -2.673 52.866 55.300 0.399 0.000 1.053 286 M CB 1.302 34.108 32.600 0.344 0.000 1.601 286 M HN 0.275 nan 8.290 nan 0.000 0.459 287 P HA 0.150 nan 4.420 nan 0.000 0.263 287 P C -1.035 176.386 177.300 0.202 0.000 1.601 287 P CA -0.136 63.111 63.100 0.244 0.000 1.161 287 P CB -0.527 31.282 31.700 0.183 0.000 1.730 288 S N 2.236 118.053 115.700 0.194 0.000 2.589 288 S HA 0.323 4.793 4.470 0.001 0.000 0.306 288 S C 1.579 176.256 174.600 0.128 0.000 1.221 288 S CA 0.714 59.003 58.200 0.147 0.000 1.159 288 S CB -0.535 62.744 63.200 0.131 0.000 0.990 288 S HN 0.722 nan 8.310 nan 0.000 0.514 289 G N 1.148 110.010 108.800 0.103 0.000 3.254 289 G HA2 -0.134 3.826 3.960 0.001 0.000 0.219 289 G HA3 -0.134 3.826 3.960 0.001 0.000 0.219 289 G C 0.229 175.176 174.900 0.080 0.000 0.964 289 G CA -0.182 44.972 45.100 0.091 0.000 0.823 289 G HN 0.986 nan 8.290 nan 0.000 0.579 290 C N 0.800 120.156 119.300 0.093 0.000 2.351 290 C HA 0.859 5.320 4.460 0.001 0.000 0.359 290 C C 1.319 176.359 174.990 0.084 0.000 1.193 290 C CA -0.232 58.850 59.018 0.106 0.000 2.270 290 C CB 1.039 28.866 27.740 0.144 0.000 2.369 290 C HN 1.076 nan 8.230 nan 0.000 0.553 291 S N 0.927 116.689 115.700 0.104 0.000 2.525 291 S HA 0.433 4.903 4.470 0.001 0.000 0.285 291 S C 1.341 175.924 174.600 -0.028 0.000 1.283 291 S CA 1.111 59.343 58.200 0.054 0.000 1.072 291 S CB -0.559 62.753 63.200 0.187 0.000 0.867 291 S HN 2.801 nan 8.310 nan 0.000 0.492 292 G N 3.601 112.151 108.800 -0.416 0.000 2.176 292 G HA2 -0.274 3.687 3.960 0.001 0.000 0.232 292 G HA3 -0.274 3.687 3.960 0.001 0.000 0.232 292 G C 0.892 175.440 174.900 -0.586 0.000 0.986 292 G CA 0.511 45.091 45.100 -0.868 0.000 0.643 292 G HN 0.835 nan 8.290 nan 0.000 0.522 293 T N 0.949 115.385 114.554 -0.197 0.000 2.450 293 T HA -0.286 4.064 4.350 0.001 0.000 0.250 293 T C 2.428 177.069 174.700 -0.098 0.000 1.264 293 T CA 2.873 64.952 62.100 -0.034 0.000 1.191 293 T CB -0.728 68.142 68.868 0.003 0.000 0.862 293 T HN 0.585 nan 8.240 nan 0.000 0.411 294 S N 0.165 115.775 115.700 -0.150 0.000 2.381 294 S HA -0.130 4.341 4.470 0.001 0.000 0.230 294 S C 2.032 176.471 174.600 -0.268 0.000 1.052 294 S CA 1.584 59.684 58.200 -0.167 0.000 1.068 294 S CB -0.542 62.555 63.200 -0.172 0.000 0.918 294 S HN 0.413 nan 8.310 nan 0.000 0.448 295 I N -0.133 120.178 120.570 -0.432 0.000 2.406 295 I HA -0.087 4.084 4.170 0.001 0.000 0.249 295 I C 1.733 177.609 176.117 -0.402 0.000 1.122 295 I CA 0.753 61.717 61.300 -0.560 0.000 1.431 295 I CB -0.205 37.290 38.000 -0.842 0.000 1.087 295 I HN 0.270 nan 8.210 nan 0.000 0.424 296 F N 1.179 120.971 119.950 -0.263 0.000 2.098 296 F HA -0.145 4.382 4.527 0.001 0.000 0.294 296 F C 2.381 178.100 175.800 -0.135 0.000 1.107 296 F CA 0.876 58.758 58.000 -0.197 0.000 1.234 296 F CB -1.433 37.479 39.000 -0.146 0.000 1.002 296 F HN 0.083 nan 8.300 nan 0.000 0.472 297 N N 0.314 119.078 118.700 0.107 0.000 2.069 297 N HA -0.198 4.542 4.740 0.001 0.000 0.196 297 N C 2.008 177.519 175.510 0.003 0.000 1.024 297 N CA 1.908 55.026 53.050 0.113 0.000 0.869 297 N CB -0.911 37.643 38.487 0.112 0.000 1.035 297 N HN 0.143 nan 8.380 nan 0.000 0.434 298 S N 0.713 116.379 115.700 -0.057 0.000 2.368 298 S HA -0.006 4.464 4.470 0.001 0.000 0.225 298 S C 2.039 176.641 174.600 0.003 0.000 1.030 298 S CA 0.938 59.109 58.200 -0.049 0.000 0.999 298 S CB -0.130 63.032 63.200 -0.064 0.000 0.844 298 S HN 0.313 nan 8.310 nan 0.000 0.459 299 M N 0.687 120.321 119.600 0.056 0.000 2.117 299 M HA -0.058 4.422 4.480 0.001 0.000 0.262 299 M C 1.993 178.317 176.300 0.039 0.000 1.065 299 M CA 1.434 56.850 55.300 0.193 0.000 1.114 299 M CB -0.611 32.155 32.600 0.277 0.000 1.361 299 M HN 0.255 nan 8.290 nan 0.000 0.408 300 I N 0.145 120.708 120.570 -0.012 0.000 2.163 300 I HA -0.335 3.836 4.170 0.001 0.000 0.243 300 I C 2.340 178.337 176.117 -0.201 0.000 1.085 300 I CA 1.031 62.264 61.300 -0.113 0.000 1.347 300 I CB -0.690 37.178 38.000 -0.220 0.000 1.044 300 I HN 0.380 nan 8.210 nan 0.000 0.408 301 N N 1.483 120.098 118.700 -0.142 0.000 2.060 301 N HA -0.249 4.492 4.740 0.001 0.000 0.195 301 N C 1.482 176.893 175.510 -0.165 0.000 1.028 301 N CA 1.674 54.637 53.050 -0.145 0.000 0.861 301 N CB -0.497 37.925 38.487 -0.108 0.000 1.029 301 N HN 0.367 nan 8.380 nan 0.000 0.428 302 N N 0.287 118.832 118.700 -0.257 0.000 2.289 302 N HA -0.114 4.626 4.740 0.001 0.000 0.184 302 N C 1.744 177.049 175.510 -0.342 0.000 1.016 302 N CA 0.575 53.362 53.050 -0.439 0.000 0.872 302 N CB 0.030 37.864 38.487 -1.089 0.000 0.973 302 N HN 0.325 nan 8.380 nan 0.000 0.433 303 L N 0.770 121.868 121.223 -0.208 0.000 2.034 303 L HA -0.062 4.279 4.340 0.001 0.000 0.203 303 L C 2.292 179.185 176.870 0.039 0.000 1.074 303 L CA 0.687 55.541 54.840 0.024 0.000 0.748 303 L CB -0.471 41.712 42.059 0.206 0.000 0.905 303 L HN 0.021 nan 8.230 nan 0.000 0.439 304 I N -0.081 120.359 120.570 -0.218 0.000 2.074 304 I HA -0.388 3.783 4.170 0.001 0.000 0.238 304 I C 2.494 178.604 176.117 -0.012 0.000 1.037 304 I CA 1.463 62.566 61.300 -0.329 0.000 1.301 304 I CB -0.400 37.280 38.000 -0.533 0.000 1.016 304 I HN 0.191 nan 8.210 nan 0.000 0.400 305 I N 0.676 121.269 120.570 0.038 0.000 2.091 305 I HA -0.320 3.851 4.170 0.001 0.000 0.239 305 I C 2.668 178.836 176.117 0.086 0.000 1.061 305 I CA 1.702 63.076 61.300 0.123 0.000 1.317 305 I CB -1.415 36.644 38.000 0.099 0.000 1.031 305 I HN 0.254 nan 8.210 nan 0.000 0.401 306 R N -0.311 120.223 120.500 0.057 0.000 2.133 306 R HA -0.196 4.144 4.340 0.001 0.000 0.247 306 R C 2.254 178.601 176.300 0.079 0.000 1.151 306 R CA 2.062 58.200 56.100 0.064 0.000 0.971 306 R CB -0.672 29.688 30.300 0.100 0.000 0.866 306 R HN 0.421 nan 8.270 nan 0.000 0.447 307 T N 1.484 116.106 114.554 0.113 0.000 2.614 307 T HA -0.097 4.254 4.350 0.001 0.000 0.263 307 T C 1.857 176.593 174.700 0.061 0.000 1.055 307 T CA 1.341 63.514 62.100 0.123 0.000 1.162 307 T CB -0.199 68.753 68.868 0.139 0.000 0.863 307 T HN 0.151 nan 8.240 nan 0.000 0.414 308 L N 0.744 122.008 121.223 0.069 0.000 2.127 308 L HA -0.037 4.303 4.340 0.001 0.000 0.211 308 L C 2.461 179.329 176.870 -0.004 0.000 1.089 308 L CA 1.053 55.931 54.840 0.064 0.000 0.757 308 L CB -0.800 41.323 42.059 0.107 0.000 0.899 308 L HN 0.252 nan 8.230 nan 0.000 0.434 309 L N -0.361 120.851 121.223 -0.018 0.000 2.362 309 L HA -0.151 4.190 4.340 0.001 0.000 0.219 309 L C 2.258 179.099 176.870 -0.050 0.000 1.134 309 L CA 0.823 55.616 54.840 -0.078 0.000 0.807 309 L CB -0.166 41.803 42.059 -0.150 0.000 0.927 309 L HN 0.362 nan 8.230 nan 0.000 0.447 310 L N -0.806 120.388 121.223 -0.048 0.000 2.269 310 L HA -0.049 4.292 4.340 0.001 0.000 0.200 310 L C 2.113 178.832 176.870 -0.251 0.000 1.069 310 L CA 0.480 55.296 54.840 -0.039 0.000 0.804 310 L CB -0.302 41.827 42.059 0.116 0.000 0.987 310 L HN 0.085 nan 8.230 nan 0.000 0.468 311 K N -0.028 120.069 120.400 -0.504 0.000 2.668 311 K HA -0.023 4.298 4.320 0.001 0.000 0.204 311 K C 0.425 176.851 176.600 -0.289 0.000 1.016 311 K CA 0.624 56.468 56.287 -0.738 0.000 1.131 311 K CB 0.069 32.203 32.500 -0.610 0.000 0.891 311 K HN 0.261 nan 8.250 nan 0.000 0.499 312 T N -1.382 113.075 114.554 -0.162 0.000 3.636 312 T HA 0.068 4.418 4.350 0.001 0.000 0.279 312 T C -0.749 173.865 174.700 -0.143 0.000 0.977 312 T CA -0.151 61.887 62.100 -0.103 0.000 1.139 312 T CB -0.046 68.831 68.868 0.015 0.000 1.147 312 T HN 0.029 nan 8.240 nan 0.000 0.442 313 Y N 3.547 123.754 120.300 -0.155 0.000 2.821 313 Y HA 0.454 5.004 4.550 0.001 0.000 0.331 313 Y C 0.577 176.418 175.900 -0.098 0.000 1.251 313 Y CA -1.014 57.001 58.100 -0.142 0.000 1.494 313 Y CB -0.017 38.319 38.460 -0.206 0.000 1.493 313 Y HN 0.059 nan 8.280 nan 0.000 0.496 314 K N 0.941 121.324 120.400 -0.029 0.000 2.586 314 K HA 0.039 4.359 4.320 0.001 0.000 0.280 314 K C 1.259 177.879 176.600 0.034 0.000 0.972 314 K CA 1.313 57.604 56.287 0.007 0.000 1.040 314 K CB 0.036 32.527 32.500 -0.014 0.000 0.870 314 K HN 0.907 nan 8.250 nan 0.000 0.497 315 G N 3.512 112.341 108.800 0.048 0.000 2.187 315 G HA2 -0.304 3.656 3.960 0.001 0.000 0.261 315 G HA3 -0.304 3.656 3.960 0.001 0.000 0.261 315 G C 0.116 175.064 174.900 0.080 0.000 1.000 315 G CA 0.404 45.539 45.100 0.058 0.000 0.718 315 G HN 0.695 nan 8.290 nan 0.000 0.519 316 I N 0.708 121.317 120.570 0.066 0.000 2.648 316 I HA 0.413 4.583 4.170 0.001 0.000 0.284 316 I C 0.188 176.339 176.117 0.057 0.000 1.153 316 I CA -0.512 60.810 61.300 0.037 0.000 1.426 316 I CB 0.787 38.720 38.000 -0.112 0.000 1.381 316 I HN 0.129 nan 8.210 nan 0.000 0.571 317 D N 6.369 126.872 120.400 0.171 0.000 2.233 317 D HA 0.221 4.862 4.640 0.001 0.000 0.240 317 D C 0.556 176.911 176.300 0.092 0.000 1.074 317 D CA -0.115 53.954 54.000 0.116 0.000 0.838 317 D CB 1.139 42.031 40.800 0.154 0.000 1.124 317 D HN 0.561 nan 8.370 nan 0.000 0.475 318 L N 2.326 123.476 121.223 -0.122 0.000 2.446 318 L HA 0.047 4.387 4.340 0.001 0.000 0.219 318 L C 0.699 177.501 176.870 -0.113 0.000 1.116 318 L CA 0.303 54.971 54.840 -0.285 0.000 0.844 318 L CB 0.096 41.632 42.059 -0.872 0.000 0.970 318 L HN 0.345 nan 8.230 nan 0.000 0.457 319 D N -0.744 119.619 120.400 -0.061 0.000 2.379 319 D HA -0.091 4.550 4.640 0.001 0.000 0.243 319 D C 1.116 177.360 176.300 -0.094 0.000 1.088 319 D CA 0.810 54.807 54.000 -0.004 0.000 0.925 319 D CB 0.031 40.757 40.800 -0.124 0.000 0.888 319 D HN 0.268 nan 8.370 nan 0.000 0.529 320 H N -1.171 117.997 119.070 0.162 0.000 3.398 320 H HA 0.188 4.744 4.556 0.001 0.000 0.260 320 H C -0.054 175.429 175.328 0.258 0.000 1.189 320 H CA -0.626 55.472 56.048 0.084 0.000 1.145 320 H CB 0.275 29.978 29.762 -0.098 0.000 1.599 320 H HN 0.060 nan 8.280 nan 0.000 0.615 321 L N 2.499 123.974 121.223 0.419 0.000 2.360 321 L HA 0.281 4.621 4.340 0.001 0.000 0.276 321 L C -0.196 176.789 176.870 0.193 0.000 1.121 321 L CA 0.058 55.094 54.840 0.328 0.000 0.845 321 L CB 0.403 42.573 42.059 0.185 0.000 1.143 321 L HN -0.182 nan 8.230 nan 0.000 0.452 322 K N 8.008 128.473 120.400 0.108 0.000 2.575 322 K HA 0.391 4.712 4.320 0.001 0.000 0.236 322 K C -0.840 175.712 176.600 -0.080 0.000 0.976 322 K CA -0.222 56.079 56.287 0.023 0.000 0.985 322 K CB 1.337 33.837 32.500 -0.000 0.000 1.198 322 K HN 0.858 nan 8.250 nan 0.000 0.464 323 M N 0.779 120.331 119.600 -0.080 0.000 2.727 323 M HA 0.679 5.159 4.480 0.001 0.000 0.300 323 M C -0.890 175.339 176.300 -0.118 0.000 1.246 323 M CA -0.997 54.196 55.300 -0.179 0.000 0.835 323 M CB 2.016 34.493 32.600 -0.206 0.000 1.755 323 M HN 0.221 nan 8.290 nan 0.000 0.473 324 I N 1.195 121.660 120.570 -0.176 0.000 2.586 324 I HA 0.690 4.860 4.170 0.001 0.000 0.288 324 I C -1.015 175.100 176.117 -0.003 0.000 1.147 324 I CA -0.668 60.608 61.300 -0.041 0.000 1.047 324 I CB 2.174 40.155 38.000 -0.033 0.000 1.244 324 I HN 0.995 nan 8.210 nan 0.000 0.429 325 A N 4.989 127.903 122.820 0.158 0.000 2.350 325 A HA 0.828 5.149 4.320 0.001 0.000 0.318 325 A C -1.798 175.996 177.584 0.349 0.000 1.132 325 A CA -0.399 51.776 52.037 0.230 0.000 0.811 325 A CB 1.500 20.542 19.000 0.071 0.000 1.313 325 A HN 0.628 nan 8.150 nan 0.000 0.454 326 Y N 0.583 121.003 120.300 0.200 0.000 2.484 326 Y HA 0.473 5.024 4.550 0.001 0.000 0.348 326 Y C 0.742 176.615 175.900 -0.045 0.000 1.103 326 Y CA 0.459 58.593 58.100 0.057 0.000 1.317 326 Y CB 0.771 39.203 38.460 -0.046 0.000 1.096 326 Y HN 1.838 nan 8.280 nan 0.000 0.568 327 G N 3.597 112.411 108.800 0.023 0.000 2.550 327 G HA2 -0.393 3.567 3.960 0.001 0.000 0.277 327 G HA3 -0.393 3.567 3.960 0.001 0.000 0.277 327 G C 0.848 175.526 174.900 -0.371 0.000 1.190 327 G CA 0.618 45.642 45.100 -0.127 0.000 0.971 327 G HN 0.615 nan 8.290 nan 0.000 0.559 328 D N 1.045 121.042 120.400 -0.671 0.000 2.144 328 D HA -0.005 4.635 4.640 0.001 0.000 0.200 328 D C 0.861 177.158 176.300 -0.004 0.000 0.978 328 D CA 1.131 54.692 54.000 -0.731 0.000 0.833 328 D CB -0.704 39.642 40.800 -0.757 0.000 0.961 328 D HN 0.440 nan 8.370 nan 0.000 0.470 329 D N 0.412 120.852 120.400 0.067 0.000 2.586 329 D HA 0.082 4.723 4.640 0.001 0.000 0.234 329 D C -0.713 175.791 176.300 0.340 0.000 1.132 329 D CA 0.365 54.499 54.000 0.224 0.000 0.860 329 D CB 0.906 41.811 40.800 0.175 0.000 1.159 329 D HN -0.020 nan 8.370 nan 0.000 0.490 330 V N 5.640 125.711 119.914 0.263 0.000 2.924 330 V HA 0.448 4.568 4.120 0.001 0.000 0.300 330 V C -1.355 174.547 176.094 -0.319 0.000 1.227 330 V CA -0.917 61.383 62.300 -0.001 0.000 0.954 330 V CB 2.108 33.886 31.823 -0.075 0.000 1.055 330 V HN 0.509 nan 8.190 nan 0.000 0.429 331 I N 6.480 126.656 120.570 -0.657 0.000 2.418 331 I HA 0.909 5.079 4.170 0.001 0.000 0.287 331 I C -0.239 175.427 176.117 -0.753 0.000 1.008 331 I CA -0.170 60.675 61.300 -0.759 0.000 1.104 331 I CB 1.430 38.858 38.000 -0.953 0.000 1.264 331 I HN 0.956 nan 8.210 nan 0.000 0.438 332 A N 5.191 127.458 122.820 -0.923 0.000 2.423 332 A HA 0.912 5.232 4.320 0.001 0.000 0.304 332 A C -0.820 176.163 177.584 -1.001 0.000 1.104 332 A CA -0.255 51.151 52.037 -1.051 0.000 0.757 332 A CB 1.893 19.952 19.000 -1.569 0.000 1.313 332 A HN 0.801 nan 8.150 nan 0.000 0.423 333 S N -0.373 115.001 115.700 -0.543 0.000 2.625 333 S HA 0.836 5.306 4.470 0.001 0.000 0.271 333 S C -1.292 173.412 174.600 0.173 0.000 1.161 333 S CA -0.593 57.497 58.200 -0.184 0.000 0.820 333 S CB 1.460 64.507 63.200 -0.256 0.000 1.137 333 S HN 1.937 nan 8.310 nan 0.000 0.470 334 Y N 0.110 120.412 120.300 0.003 0.000 2.522 334 Y HA 0.426 4.976 4.550 0.001 0.000 0.326 334 Y C -2.817 173.027 175.900 -0.093 0.000 1.198 334 Y CA -1.417 56.681 58.100 -0.003 0.000 1.112 334 Y CB 1.645 40.123 38.460 0.029 0.000 1.342 334 Y HN 0.495 nan 8.280 nan 0.000 0.460 335 P HA -0.129 nan 4.420 nan 0.000 0.217 335 P C -0.384 176.514 177.300 -0.670 0.000 1.148 335 P CA 1.909 64.536 63.100 -0.789 0.000 0.828 335 P CB 0.110 31.181 31.700 -1.048 0.000 0.783 336 H N -1.593 117.378 119.070 -0.164 0.000 2.710 336 H HA 0.207 4.764 4.556 0.001 0.000 0.361 336 H C 0.260 175.638 175.328 0.082 0.000 1.175 336 H CA -0.852 55.213 56.048 0.027 0.000 1.206 336 H CB 1.062 30.892 29.762 0.113 0.000 1.750 336 H HN -0.017 nan 8.280 nan 0.000 0.553 337 E N 2.142 122.425 120.200 0.139 0.000 2.384 337 E HA 0.151 4.501 4.350 0.001 0.000 0.266 337 E C -0.712 175.833 176.600 -0.092 0.000 1.012 337 E CA -0.227 56.188 56.400 0.026 0.000 0.901 337 E CB 0.823 30.533 29.700 0.015 0.000 0.967 337 E HN 0.391 nan 8.360 nan 0.000 0.435 338 V N 2.063 121.806 119.914 -0.285 0.000 2.715 338 V HA 0.429 4.549 4.120 0.001 0.000 0.310 338 V C -0.825 175.028 176.094 -0.401 0.000 1.054 338 V CA -0.891 61.042 62.300 -0.611 0.000 0.928 338 V CB 1.926 33.032 31.823 -1.196 0.000 1.007 338 V HN 0.674 nan 8.190 nan 0.000 0.437 339 D N 4.120 124.378 120.400 -0.238 0.000 2.473 339 D HA 0.591 5.232 4.640 0.001 0.000 0.226 339 D C 1.007 177.196 176.300 -0.185 0.000 1.089 339 D CA 0.226 54.150 54.000 -0.126 0.000 0.883 339 D CB 1.354 42.147 40.800 -0.011 0.000 1.029 339 D HN 0.915 nan 8.370 nan 0.000 0.517 340 A N 2.926 125.625 122.820 -0.201 0.000 2.194 340 A HA -0.181 4.139 4.320 0.001 0.000 0.220 340 A C 2.074 179.350 177.584 -0.514 0.000 1.162 340 A CA 1.813 53.740 52.037 -0.182 0.000 0.674 340 A CB -0.572 18.437 19.000 0.015 0.000 0.789 340 A HN 0.603 nan 8.150 nan 0.000 0.470 341 S N -0.334 115.044 115.700 -0.537 0.000 2.406 341 S HA -0.016 4.454 4.470 0.001 0.000 0.228 341 S C 1.725 176.202 174.600 -0.204 0.000 1.020 341 S CA 1.198 59.033 58.200 -0.609 0.000 0.965 341 S CB -0.549 62.676 63.200 0.041 0.000 0.798 341 S HN 0.488 nan 8.310 nan 0.000 0.488 342 L N 0.178 121.328 121.223 -0.122 0.000 2.162 342 L HA 0.158 4.498 4.340 0.001 0.000 0.205 342 L C 2.356 179.192 176.870 -0.057 0.000 1.086 342 L CA 0.465 55.274 54.840 -0.052 0.000 0.778 342 L CB -0.673 41.370 42.059 -0.026 0.000 0.928 342 L HN 0.217 nan 8.230 nan 0.000 0.446 343 L N 0.387 121.563 121.223 -0.079 0.000 2.127 343 L HA -0.178 4.162 4.340 0.001 0.000 0.211 343 L C 2.737 179.562 176.870 -0.074 0.000 1.089 343 L CA 1.663 56.479 54.840 -0.039 0.000 0.757 343 L CB -0.784 41.282 42.059 0.012 0.000 0.899 343 L HN 0.218 nan 8.230 nan 0.000 0.434 344 A N -1.186 121.528 122.820 -0.176 0.000 2.014 344 A HA -0.194 4.126 4.320 0.001 0.000 0.218 344 A C 2.262 179.829 177.584 -0.027 0.000 1.163 344 A CA 1.272 53.207 52.037 -0.169 0.000 0.652 344 A CB -0.425 18.458 19.000 -0.194 0.000 0.808 344 A HN 0.528 nan 8.150 nan 0.000 0.449 345 Q N 0.319 120.115 119.800 -0.008 0.000 1.967 345 Q HA -0.166 4.174 4.340 0.001 0.000 0.202 345 Q C 2.043 178.055 176.000 0.020 0.000 0.985 345 Q CA 2.211 58.026 55.803 0.019 0.000 0.839 345 Q CB -0.356 28.389 28.738 0.011 0.000 0.906 345 Q HN 0.507 nan 8.270 nan 0.000 0.423 346 S N 0.565 116.277 115.700 0.020 0.000 2.407 346 S HA -0.190 4.280 4.470 0.001 0.000 0.235 346 S C 1.835 176.519 174.600 0.139 0.000 1.036 346 S CA 1.063 59.296 58.200 0.055 0.000 1.013 346 S CB -0.831 62.415 63.200 0.077 0.000 0.820 346 S HN 0.706 nan 8.310 nan 0.000 0.476 347 G N 1.190 110.061 108.800 0.118 0.000 2.442 347 G HA2 -0.227 3.733 3.960 0.001 0.000 0.219 347 G HA3 -0.227 3.733 3.960 0.001 0.000 0.219 347 G C 1.375 176.387 174.900 0.186 0.000 1.141 347 G CA 0.852 46.049 45.100 0.162 0.000 0.763 347 G HN 0.458 nan 8.290 nan 0.000 0.554 348 K N -0.167 120.294 120.400 0.101 0.000 2.365 348 K HA 0.036 4.357 4.320 0.001 0.000 0.197 348 K C 1.869 178.503 176.600 0.057 0.000 1.042 348 K CA 0.497 56.836 56.287 0.087 0.000 0.987 348 K CB 0.098 32.629 32.500 0.053 0.000 0.779 348 K HN 0.136 nan 8.250 nan 0.000 0.484 349 D N -0.182 120.212 120.400 -0.011 0.000 2.133 349 D HA -0.199 4.441 4.640 0.001 0.000 0.195 349 D C 0.696 176.894 176.300 -0.169 0.000 0.997 349 D CA 1.501 55.393 54.000 -0.180 0.000 0.840 349 D CB -0.034 40.515 40.800 -0.419 0.000 0.947 349 D HN 0.288 nan 8.370 nan 0.000 0.452 350 Y N -1.159 119.236 120.300 0.157 0.000 2.468 350 Y HA 0.357 4.908 4.550 0.001 0.000 0.268 350 Y C 1.698 177.758 175.900 0.268 0.000 1.177 350 Y CA 0.206 58.454 58.100 0.246 0.000 1.265 350 Y CB 0.598 39.335 38.460 0.462 0.000 1.103 350 Y HN 0.023 nan 8.280 nan 0.000 0.522 351 G N 0.535 109.502 108.800 0.278 0.000 2.132 351 G HA2 -0.255 3.705 3.960 0.001 0.000 0.234 351 G HA3 -0.255 3.705 3.960 0.001 0.000 0.234 351 G C -0.347 174.670 174.900 0.194 0.000 0.989 351 G CA -0.090 45.135 45.100 0.208 0.000 0.676 351 G HN 0.261 nan 8.290 nan 0.000 0.522 352 L N 0.669 122.018 121.223 0.210 0.000 2.296 352 L HA 0.632 4.972 4.340 0.001 0.000 0.286 352 L C 0.268 177.206 176.870 0.113 0.000 1.023 352 L CA -0.779 54.167 54.840 0.177 0.000 0.812 352 L CB 1.919 44.111 42.059 0.221 0.000 1.223 352 L HN -0.001 nan 8.230 nan 0.000 0.421 353 T N 4.233 118.846 114.554 0.099 0.000 3.005 353 T HA 0.455 4.805 4.350 0.001 0.000 0.323 353 T C 0.256 174.945 174.700 -0.018 0.000 1.131 353 T CA -0.318 61.809 62.100 0.046 0.000 0.977 353 T CB -0.060 68.841 68.868 0.054 0.000 1.055 353 T HN 0.407 nan 8.240 nan 0.000 0.562 354 M N 2.578 122.094 119.600 -0.141 0.000 2.228 354 M HA 0.439 4.920 4.480 0.001 0.000 0.326 354 M C 0.935 177.143 176.300 -0.152 0.000 1.122 354 M CA -0.166 54.900 55.300 -0.390 0.000 1.161 354 M CB 0.888 33.014 32.600 -0.791 0.000 1.437 354 M HN 0.580 nan 8.290 nan 0.000 0.465 355 T N -1.168 113.299 114.554 -0.146 0.000 2.816 355 T HA 0.678 5.029 4.350 0.001 0.000 0.299 355 T C -2.963 171.876 174.700 0.232 0.000 1.230 355 T CA -1.722 60.440 62.100 0.103 0.000 1.007 355 T CB 1.738 70.640 68.868 0.056 0.000 1.289 355 T HN 0.392 nan 8.240 nan 0.000 0.508 356 P HA 0.314 nan 4.420 nan 0.000 0.274 356 P C 0.272 177.688 177.300 0.193 0.000 1.260 356 P CA -0.340 62.940 63.100 0.300 0.000 0.793 356 P CB 0.336 32.187 31.700 0.251 0.000 1.048 357 A N -0.351 122.555 122.820 0.145 0.000 2.327 357 A HA 0.015 4.336 4.320 0.001 0.000 0.228 357 A C 1.376 179.000 177.584 0.066 0.000 1.275 357 A CA 0.628 52.725 52.037 0.100 0.000 0.875 357 A CB -0.939 18.095 19.000 0.056 0.000 0.925 357 A HN 0.504 nan 8.150 nan 0.000 0.493 358 D N -1.374 119.070 120.400 0.074 0.000 2.434 358 D HA 0.061 4.701 4.640 0.001 0.000 0.288 358 D C 0.705 177.042 176.300 0.062 0.000 1.083 358 D CA 0.565 54.602 54.000 0.061 0.000 0.903 358 D CB 0.241 41.086 40.800 0.075 0.000 1.476 358 D HN 0.205 nan 8.370 nan 0.000 0.502 359 K N 0.067 120.505 120.400 0.063 0.000 3.423 359 K HA -0.130 4.190 4.320 0.001 0.000 0.275 359 K C -0.336 176.281 176.600 0.028 0.000 1.344 359 K CA 0.668 56.981 56.287 0.044 0.000 0.911 359 K CB -1.689 30.834 32.500 0.039 0.000 1.503 359 K HN 0.115 nan 8.250 nan 0.000 0.499 360 S N 0.620 116.345 115.700 0.041 0.000 2.714 360 S HA 0.202 4.672 4.470 0.001 0.000 0.318 360 S C 1.388 175.973 174.600 -0.026 0.000 1.219 360 S CA 0.514 58.728 58.200 0.024 0.000 1.175 360 S CB 0.957 64.188 63.200 0.052 0.000 0.961 360 S HN 0.359 nan 8.310 nan 0.000 0.518 361 A N 4.431 127.218 122.820 -0.055 0.000 2.234 361 A HA 0.105 4.426 4.320 0.001 0.000 0.216 361 A C 1.353 178.794 177.584 -0.237 0.000 1.167 361 A CA 1.202 53.164 52.037 -0.125 0.000 0.698 361 A CB -0.773 18.171 19.000 -0.092 0.000 0.779 361 A HN 1.065 nan 8.150 nan 0.000 0.475 362 T N -3.275 111.171 114.554 -0.179 0.000 2.829 362 T HA 0.593 4.943 4.350 0.001 0.000 0.280 362 T C -0.637 174.000 174.700 -0.105 0.000 0.999 362 T CA -0.830 61.143 62.100 -0.212 0.000 0.983 362 T CB 0.624 69.441 68.868 -0.085 0.000 0.968 362 T HN 0.039 nan 8.240 nan 0.000 0.446 363 F N 2.636 122.602 119.950 0.027 0.000 2.487 363 F HA 0.386 4.914 4.527 0.001 0.000 0.364 363 F C 1.149 176.969 175.800 0.033 0.000 1.126 363 F CA -0.587 57.435 58.000 0.037 0.000 1.135 363 F CB -0.121 38.902 39.000 0.038 0.000 1.127 363 F HN 0.629 nan 8.300 nan 0.000 0.559 364 E N 1.014 121.345 120.200 0.219 0.000 2.221 364 E HA 0.304 4.654 4.350 0.001 0.000 0.268 364 E C -0.368 176.290 176.600 0.097 0.000 0.933 364 E CA -0.885 55.592 56.400 0.128 0.000 0.809 364 E CB 1.715 31.470 29.700 0.092 0.000 1.190 364 E HN 0.375 nan 8.360 nan 0.000 0.406 365 T N 1.180 115.771 114.554 0.062 0.000 2.933 365 T HA 0.049 4.399 4.350 0.001 0.000 0.306 365 T C 0.012 174.717 174.700 0.009 0.000 1.045 365 T CA -0.165 61.952 62.100 0.028 0.000 1.143 365 T CB 0.069 68.947 68.868 0.017 0.000 1.003 365 T HN 0.143 nan 8.240 nan 0.000 0.540 366 V N 3.779 123.672 119.914 -0.034 0.000 2.394 366 V HA 0.610 4.730 4.120 0.001 0.000 0.282 366 V C 0.527 176.531 176.094 -0.151 0.000 1.031 366 V CA -0.997 61.252 62.300 -0.085 0.000 0.881 366 V CB 0.982 32.721 31.823 -0.141 0.000 0.982 366 V HN 1.080 nan 8.190 nan 0.000 0.451 367 T N -0.334 114.149 114.554 -0.118 0.000 2.916 367 T HA 0.392 4.743 4.350 0.001 0.000 0.292 367 T C 0.108 174.750 174.700 -0.097 0.000 1.055 367 T CA -0.666 61.359 62.100 -0.125 0.000 1.009 367 T CB 1.342 70.211 68.868 0.002 0.000 1.118 367 T HN 0.604 nan 8.240 nan 0.000 0.497 368 W N 0.568 121.832 121.300 -0.059 0.000 2.708 368 W HA -0.017 4.643 4.660 0.001 0.000 0.256 368 W C 1.930 178.484 176.519 0.058 0.000 1.243 368 W CA 0.567 57.869 57.345 -0.072 0.000 1.261 368 W CB 0.185 29.610 29.460 -0.059 0.000 1.142 368 W HN 0.894 nan 8.180 nan 0.000 0.645 369 E N 0.004 120.389 120.200 0.308 0.000 2.399 369 E HA -0.120 4.231 4.350 0.001 0.000 0.206 369 E C 1.706 178.513 176.600 0.346 0.000 0.812 369 E CA 0.902 57.482 56.400 0.301 0.000 1.138 369 E CB -0.156 29.663 29.700 0.198 0.000 1.140 369 E HN 0.247 nan 8.360 nan 0.000 0.536 370 N N 0.320 119.179 118.700 0.265 0.000 2.325 370 N HA 0.011 4.751 4.740 0.001 0.000 0.182 370 N C 0.411 176.065 175.510 0.240 0.000 1.088 370 N CA -0.092 53.145 53.050 0.312 0.000 0.879 370 N CB 0.527 39.126 38.487 0.186 0.000 0.983 370 N HN -0.027 nan 8.380 nan 0.000 0.471 371 V N 1.564 121.566 119.914 0.147 0.000 2.740 371 V HA 0.294 4.414 4.120 0.001 0.000 0.303 371 V C 0.068 176.195 176.094 0.054 0.000 1.054 371 V CA 0.233 62.542 62.300 0.016 0.000 1.106 371 V CB 0.672 32.395 31.823 -0.167 0.000 0.957 371 V HN 0.642 nan 8.190 nan 0.000 0.486 372 T N 4.078 118.614 114.554 -0.030 0.000 2.916 372 T HA 0.738 5.088 4.350 0.001 0.000 0.292 372 T C -1.066 173.817 174.700 0.305 0.000 1.055 372 T CA -0.648 61.447 62.100 -0.008 0.000 1.009 372 T CB 1.911 70.568 68.868 -0.352 0.000 1.118 372 T HN 0.632 nan 8.240 nan 0.000 0.497 373 F N 2.362 122.450 119.950 0.230 0.000 2.615 373 F HA 0.492 5.020 4.527 0.001 0.000 0.312 373 F C -0.006 175.970 175.800 0.294 0.000 1.119 373 F CA -2.296 55.851 58.000 0.245 0.000 0.979 373 F CB 1.036 40.204 39.000 0.279 0.000 1.266 373 F HN 0.777 nan 8.300 nan 0.000 0.444 374 L N 5.920 127.035 121.223 -0.180 0.000 3.976 374 L HA -0.395 3.945 4.340 0.001 0.000 0.418 374 L C 0.992 177.788 176.870 -0.124 0.000 1.177 374 L CA 1.206 55.886 54.840 -0.267 0.000 0.968 374 L CB -1.404 40.448 42.059 -0.346 0.000 1.933 374 L HN 0.950 nan 8.230 nan 0.000 0.976 375 K N -2.642 117.730 120.400 -0.046 0.000 3.583 375 K HA -0.179 4.142 4.320 0.001 0.000 0.287 375 K C 0.521 177.081 176.600 -0.067 0.000 1.269 375 K CA 1.855 58.107 56.287 -0.060 0.000 0.998 375 K CB -0.433 32.023 32.500 -0.073 0.000 1.284 375 K HN 0.517 nan 8.250 nan 0.000 0.472 376 R N -0.190 120.299 120.500 -0.018 0.000 2.643 376 R HA 0.559 4.899 4.340 0.001 0.000 0.272 376 R C 0.072 176.418 176.300 0.078 0.000 0.995 376 R CA -0.587 55.515 56.100 0.002 0.000 1.032 376 R CB 0.508 30.690 30.300 -0.198 0.000 1.126 376 R HN -0.138 nan 8.270 nan 0.000 0.505 377 F N 0.311 120.344 119.950 0.138 0.000 2.410 377 F HA 0.475 5.003 4.527 0.001 0.000 0.324 377 F C -0.051 175.899 175.800 0.250 0.000 1.093 377 F CA -0.483 57.691 58.000 0.290 0.000 1.028 377 F CB 0.683 39.798 39.000 0.192 0.000 1.309 377 F HN 0.206 nan 8.300 nan 0.000 0.499 378 F N 1.038 121.300 119.950 0.520 0.000 2.495 378 F HA 0.687 5.214 4.527 0.001 0.000 0.327 378 F C -0.342 175.613 175.800 0.259 0.000 1.103 378 F CA -0.970 57.261 58.000 0.385 0.000 0.949 378 F CB 1.390 40.507 39.000 0.195 0.000 1.142 378 F HN 0.031 nan 8.300 nan 0.000 0.457 379 R N 1.985 122.680 120.500 0.324 0.000 2.585 379 R HA 0.506 4.846 4.340 0.001 0.000 0.288 379 R C -0.852 175.582 176.300 0.223 0.000 1.194 379 R CA -0.985 55.245 56.100 0.217 0.000 1.006 379 R CB 1.497 31.881 30.300 0.140 0.000 1.229 379 R HN 0.760 nan 8.270 nan 0.000 0.412 380 A N 1.899 124.812 122.820 0.154 0.000 2.466 380 A HA 0.132 4.452 4.320 0.001 0.000 0.238 380 A C 0.142 177.867 177.584 0.235 0.000 1.074 380 A CA -0.016 52.107 52.037 0.143 0.000 0.774 380 A CB 0.202 19.237 19.000 0.058 0.000 1.015 380 A HN 0.622 nan 8.150 nan 0.000 0.498 381 D N -0.057 120.513 120.400 0.284 0.000 2.372 381 D HA 0.179 4.819 4.640 0.001 0.000 0.243 381 D C 0.834 177.266 176.300 0.221 0.000 1.121 381 D CA 0.174 54.414 54.000 0.399 0.000 0.898 381 D CB 0.614 41.743 40.800 0.549 0.000 1.202 381 D HN 0.561 nan 8.370 nan 0.000 0.428 382 E N 1.308 121.630 120.200 0.203 0.000 2.511 382 E HA -0.064 4.286 4.350 0.001 0.000 0.196 382 E C 0.836 177.469 176.600 0.055 0.000 1.066 382 E CA 0.452 56.912 56.400 0.101 0.000 0.871 382 E CB 0.406 30.148 29.700 0.070 0.000 0.863 382 E HN 0.223 nan 8.360 nan 0.000 0.520 383 K N -0.501 119.948 120.400 0.081 0.000 2.325 383 K HA 0.120 4.441 4.320 0.001 0.000 0.203 383 K C -0.390 175.889 176.600 -0.534 0.000 1.128 383 K CA 0.582 56.756 56.287 -0.189 0.000 0.931 383 K CB 0.582 33.034 32.500 -0.080 0.000 1.125 383 K HN -0.022 nan 8.250 nan 0.000 0.487 384 Y N 0.699 120.939 120.300 -0.100 0.000 2.842 384 Y HA 0.286 4.837 4.550 0.001 0.000 0.334 384 Y C -2.078 173.436 175.900 -0.643 0.000 1.019 384 Y CA -2.754 55.035 58.100 -0.518 0.000 1.258 384 Y CB 1.200 39.158 38.460 -0.836 0.000 1.106 384 Y HN 0.076 nan 8.280 nan 0.000 0.545 385 P HA -0.143 nan 4.420 nan 0.000 0.226 385 P C 1.030 178.300 177.300 -0.050 0.000 1.153 385 P CA 1.075 64.146 63.100 -0.048 0.000 0.777 385 P CB -0.172 31.556 31.700 0.047 0.000 0.794 386 F N -1.982 117.959 119.950 -0.016 0.000 2.802 386 F HA 0.212 4.739 4.527 0.001 0.000 0.300 386 F C 0.497 176.206 175.800 -0.152 0.000 1.168 386 F CA -0.326 57.623 58.000 -0.085 0.000 1.433 386 F CB -1.130 37.811 39.000 -0.098 0.000 1.115 386 F HN -0.275 nan 8.300 nan 0.000 0.582 387 L N 2.830 123.751 121.223 -0.503 0.000 2.282 387 L HA 0.416 4.756 4.340 0.001 0.000 0.288 387 L C -0.319 176.521 176.870 -0.050 0.000 1.033 387 L CA -0.711 53.842 54.840 -0.478 0.000 0.807 387 L CB 1.685 43.146 42.059 -0.996 0.000 1.209 387 L HN -0.016 nan 8.230 nan 0.000 0.423 388 I N 2.791 123.428 120.570 0.112 0.000 2.339 388 I HA 0.278 4.448 4.170 0.001 0.000 0.290 388 I C 0.243 176.566 176.117 0.343 0.000 0.994 388 I CA -0.505 60.938 61.300 0.238 0.000 1.191 388 I CB 1.239 39.367 38.000 0.213 0.000 1.343 388 I HN 0.501 nan 8.210 nan 0.000 0.458 389 H N 7.021 126.212 119.070 0.202 0.000 2.683 389 H HA 0.222 4.778 4.556 0.001 0.000 0.339 389 H C -2.159 172.943 175.328 -0.377 0.000 1.081 389 H CA -1.334 54.552 56.048 -0.270 0.000 1.432 389 H CB 1.084 30.604 29.762 -0.404 0.000 1.462 389 H HN 0.205 nan 8.280 nan 0.000 0.557 390 P HA 0.023 nan 4.420 nan 0.000 0.292 390 P C -0.410 176.490 177.300 -0.667 0.000 1.326 390 P CA -0.483 61.947 63.100 -1.117 0.000 0.787 390 P CB 0.820 31.576 31.700 -1.573 0.000 0.903 391 V N 3.711 123.465 119.914 -0.267 0.000 2.294 391 V HA 0.537 4.657 4.120 0.001 0.000 0.272 391 V C -0.204 175.883 176.094 -0.011 0.000 1.027 391 V CA -1.001 61.213 62.300 -0.143 0.000 0.823 391 V CB 0.719 32.486 31.823 -0.093 0.000 1.030 391 V HN 0.373 nan 8.190 nan 0.000 0.457 392 M N 9.535 129.062 119.600 -0.122 0.000 2.227 392 M HA 0.536 5.017 4.480 0.001 0.000 0.349 392 M C -2.422 173.838 176.300 -0.067 0.000 1.443 392 M CA -1.148 54.104 55.300 -0.079 0.000 1.110 392 M CB 0.582 33.093 32.600 -0.147 0.000 1.773 392 M HN 0.443 nan 8.290 nan 0.000 0.463 393 P HA 0.018 nan 4.420 nan 0.000 0.268 393 P C 0.462 177.656 177.300 -0.177 0.000 1.208 393 P CA -0.105 62.964 63.100 -0.052 0.000 0.777 393 P CB 0.484 32.214 31.700 0.050 0.000 0.875 394 M N 1.676 121.117 119.600 -0.265 0.000 2.319 394 M HA -0.101 4.380 4.480 0.001 0.000 0.265 394 M C 1.791 177.728 176.300 -0.604 0.000 1.068 394 M CA 1.561 56.546 55.300 -0.524 0.000 1.118 394 M CB -1.216 31.032 32.600 -0.587 0.000 1.395 394 M HN 0.424 nan 8.290 nan 0.000 0.435 395 K N 0.652 120.890 120.400 -0.270 0.000 2.063 395 K HA -0.189 4.132 4.320 0.001 0.000 0.208 395 K C 1.730 178.292 176.600 -0.063 0.000 1.048 395 K CA 1.359 57.595 56.287 -0.086 0.000 0.928 395 K CB 0.183 32.688 32.500 0.007 0.000 0.713 395 K HN 0.214 nan 8.250 nan 0.000 0.442 396 E N 0.505 120.651 120.200 -0.090 0.000 2.072 396 E HA -0.169 4.182 4.350 0.001 0.000 0.191 396 E C 2.144 178.696 176.600 -0.082 0.000 0.985 396 E CA 1.111 57.476 56.400 -0.058 0.000 0.801 396 E CB -0.187 29.477 29.700 -0.059 0.000 0.750 396 E HN 0.409 nan 8.360 nan 0.000 0.452 397 I N 0.644 121.101 120.570 -0.189 0.000 2.252 397 I HA -0.248 3.923 4.170 0.001 0.000 0.245 397 I C 2.271 178.296 176.117 -0.154 0.000 1.102 397 I CA 1.132 62.300 61.300 -0.221 0.000 1.385 397 I CB -0.309 37.446 38.000 -0.409 0.000 1.064 397 I HN 0.165 nan 8.210 nan 0.000 0.414 398 H N 0.082 119.052 119.070 -0.167 0.000 2.319 398 H HA -0.167 4.389 4.556 0.001 0.000 0.299 398 H C 2.144 177.411 175.328 -0.101 0.000 1.092 398 H CA 1.046 56.995 56.048 -0.165 0.000 1.302 398 H CB 0.086 29.869 29.762 0.035 0.000 1.373 398 H HN 0.274 nan 8.280 nan 0.000 0.497 399 E N 0.447 120.712 120.200 0.108 0.000 2.049 399 E HA -0.196 4.154 4.350 0.001 0.000 0.198 399 E C 2.457 179.167 176.600 0.184 0.000 1.007 399 E CA 1.163 57.644 56.400 0.136 0.000 0.809 399 E CB -0.581 29.186 29.700 0.111 0.000 0.749 399 E HN 0.276 nan 8.360 nan 0.000 0.450 400 S N 0.579 116.357 115.700 0.131 0.000 2.383 400 S HA -0.134 4.337 4.470 0.001 0.000 0.229 400 S C 2.051 176.817 174.600 0.277 0.000 1.030 400 S CA 0.915 59.245 58.200 0.217 0.000 1.002 400 S CB -0.206 63.110 63.200 0.193 0.000 0.829 400 S HN 0.290 nan 8.310 nan 0.000 0.467 401 I N 0.889 121.471 120.570 0.020 0.000 2.546 401 I HA -0.028 4.143 4.170 0.001 0.000 0.255 401 I C 2.214 178.335 176.117 0.008 0.000 1.163 401 I CA 0.731 61.928 61.300 -0.171 0.000 1.457 401 I CB -0.098 37.599 38.000 -0.505 0.000 1.092 401 I HN 0.258 nan 8.210 nan 0.000 0.434 402 R N -0.283 120.206 120.500 -0.018 0.000 2.237 402 R HA -0.084 4.256 4.340 0.001 0.000 0.219 402 R C -0.374 175.780 176.300 -0.243 0.000 1.080 402 R CA 0.791 56.754 56.100 -0.228 0.000 0.995 402 R CB -0.171 29.798 30.300 -0.551 0.000 0.875 402 R HN 0.284 nan 8.270 nan 0.000 0.462 403 W N -0.992 120.410 121.300 0.171 0.000 2.850 403 W HA 0.463 5.124 4.660 0.001 0.000 0.349 403 W C -0.124 176.519 176.519 0.207 0.000 1.133 403 W CA -0.748 56.709 57.345 0.185 0.000 1.117 403 W CB 1.430 30.967 29.460 0.127 0.000 1.442 403 W HN -0.373 nan 8.180 nan 0.000 0.575 404 T N -0.200 114.611 114.554 0.429 0.000 2.942 404 T HA 0.284 4.635 4.350 0.001 0.000 0.327 404 T C -0.223 174.584 174.700 0.179 0.000 1.360 404 T CA -0.676 61.587 62.100 0.272 0.000 1.055 404 T CB 1.401 70.415 68.868 0.244 0.000 1.261 404 T HN 0.544 nan 8.240 nan 0.000 0.485 405 K N 1.452 121.910 120.400 0.097 0.000 2.353 405 K HA 0.243 4.563 4.320 0.001 0.000 0.195 405 K C -0.572 176.059 176.600 0.052 0.000 1.031 405 K CA -0.050 56.272 56.287 0.057 0.000 1.079 405 K CB 0.428 32.934 32.500 0.010 0.000 0.857 405 K HN 0.525 nan 8.250 nan 0.000 0.535 406 D N -0.589 119.851 120.400 0.066 0.000 2.301 406 D HA 0.086 4.726 4.640 0.001 0.000 0.203 406 D C -2.561 173.785 176.300 0.076 0.000 1.300 406 D CA -1.240 52.794 54.000 0.057 0.000 0.899 406 D CB 1.552 42.373 40.800 0.036 0.000 1.597 406 D HN -0.280 nan 8.370 nan 0.000 0.538 407 P HA -0.038 nan 4.420 nan 0.000 0.219 407 P C 1.386 178.729 177.300 0.072 0.000 1.146 407 P CA 0.568 63.717 63.100 0.082 0.000 0.808 407 P CB 0.244 31.975 31.700 0.053 0.000 0.779 408 R N -0.566 119.966 120.500 0.054 0.000 2.244 408 R HA -0.125 4.215 4.340 0.001 0.000 0.252 408 R C 0.425 176.760 176.300 0.058 0.000 1.177 408 R CA 1.044 57.172 56.100 0.046 0.000 1.004 408 R CB -0.566 29.755 30.300 0.035 0.000 0.873 408 R HN 0.300 nan 8.270 nan 0.000 0.469 409 N N -0.498 118.248 118.700 0.077 0.000 2.389 409 N HA 0.058 4.799 4.740 0.001 0.000 0.260 409 N C 0.221 175.819 175.510 0.147 0.000 1.191 409 N CA 0.118 53.223 53.050 0.092 0.000 0.885 409 N CB 1.207 39.739 38.487 0.074 0.000 1.162 409 N HN 0.050 nan 8.380 nan 0.000 0.512 410 T N 0.015 114.658 114.554 0.148 0.000 2.857 410 T HA -0.147 4.204 4.350 0.001 0.000 0.266 410 T C 1.932 176.721 174.700 0.148 0.000 1.048 410 T CA 1.098 63.314 62.100 0.192 0.000 1.139 410 T CB 0.232 69.222 68.868 0.203 0.000 0.874 410 T HN 0.218 nan 8.240 nan 0.000 0.455 411 Q N 1.761 121.626 119.800 0.110 0.000 1.993 411 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 411 Q C 1.729 177.775 176.000 0.077 0.000 0.984 411 Q CA 1.951 57.800 55.803 0.077 0.000 0.837 411 Q CB -0.598 28.176 28.738 0.059 0.000 0.902 411 Q HN 0.334 nan 8.270 nan 0.000 0.423 412 D N -0.736 119.716 120.400 0.086 0.000 2.116 412 D HA -0.211 4.429 4.640 0.001 0.000 0.193 412 D C 1.744 178.125 176.300 0.135 0.000 0.998 412 D CA 1.711 55.763 54.000 0.087 0.000 0.836 412 D CB -0.502 40.341 40.800 0.072 0.000 0.951 412 D HN 0.571 nan 8.370 nan 0.000 0.449 413 H N 0.070 119.162 119.070 0.036 0.000 2.253 413 H HA -0.109 4.448 4.556 0.001 0.000 0.296 413 H C 2.053 177.394 175.328 0.022 0.000 1.074 413 H CA 1.478 57.546 56.048 0.033 0.000 1.263 413 H CB -0.076 29.717 29.762 0.053 0.000 1.363 413 H HN -0.061 nan 8.280 nan 0.000 0.489 414 V N 1.088 120.960 119.914 -0.070 0.000 2.332 414 V HA -0.291 3.830 4.120 0.001 0.000 0.248 414 V C 2.698 178.778 176.094 -0.023 0.000 1.055 414 V CA 2.249 64.431 62.300 -0.196 0.000 1.038 414 V CB -0.709 30.940 31.823 -0.291 0.000 0.651 414 V HN 0.409 nan 8.190 nan 0.000 0.450 415 R N 0.417 120.932 120.500 0.025 0.000 2.091 415 R HA -0.167 4.174 4.340 0.001 0.000 0.238 415 R C 2.398 178.750 176.300 0.087 0.000 1.136 415 R CA 2.193 58.329 56.100 0.061 0.000 0.959 415 R CB -0.706 29.623 30.300 0.048 0.000 0.856 415 R HN 0.433 nan 8.270 nan 0.000 0.437 416 S N 0.266 116.020 115.700 0.089 0.000 2.382 416 S HA -0.052 4.419 4.470 0.001 0.000 0.228 416 S C 1.696 176.350 174.600 0.090 0.000 1.027 416 S CA 1.363 59.615 58.200 0.087 0.000 0.991 416 S CB -0.200 63.059 63.200 0.099 0.000 0.823 416 S HN 0.317 nan 8.310 nan 0.000 0.469 417 L N 0.439 121.725 121.223 0.104 0.000 2.201 417 L HA -0.125 4.215 4.340 0.001 0.000 0.212 417 L C 2.413 179.360 176.870 0.129 0.000 1.105 417 L CA 0.575 55.460 54.840 0.075 0.000 0.775 417 L CB -0.666 41.423 42.059 0.049 0.000 0.913 417 L HN 0.423 nan 8.230 nan 0.000 0.440 418 C N 0.049 119.499 119.300 0.251 0.000 2.425 418 C HA -0.133 4.327 4.460 0.001 0.000 0.277 418 C C 2.545 177.688 174.990 0.255 0.000 1.280 418 C CA 0.491 59.747 59.018 0.398 0.000 1.744 418 C CB -0.785 27.201 27.740 0.409 0.000 1.989 418 C HN 0.455 nan 8.230 nan 0.000 0.491 419 L N -0.128 121.187 121.223 0.153 0.000 2.551 419 L HA -0.011 4.329 4.340 0.001 0.000 0.228 419 L C 2.115 179.064 176.870 0.132 0.000 1.153 419 L CA 0.814 55.749 54.840 0.158 0.000 0.851 419 L CB -0.559 41.553 42.059 0.089 0.000 0.959 419 L HN 0.417 nan 8.230 nan 0.000 0.451 420 L N -0.632 120.621 121.223 0.049 0.000 2.357 420 L HA 0.125 4.465 4.340 0.001 0.000 0.211 420 L C 2.675 179.462 176.870 -0.139 0.000 1.075 420 L CA 0.610 55.420 54.840 -0.050 0.000 0.830 420 L CB -0.256 41.755 42.059 -0.079 0.000 0.996 420 L HN 0.171 nan 8.230 nan 0.000 0.467 421 A N 0.431 123.189 122.820 -0.103 0.000 1.943 421 A HA -0.144 4.177 4.320 0.001 0.000 0.213 421 A C 2.040 179.568 177.584 -0.092 0.000 1.181 421 A CA 0.533 52.472 52.037 -0.163 0.000 0.653 421 A CB -0.665 18.148 19.000 -0.311 0.000 0.833 421 A HN 0.653 nan 8.150 nan 0.000 0.451 422 W N 0.052 121.189 121.300 -0.271 0.000 2.421 422 W HA -0.163 4.498 4.660 0.001 0.000 0.270 422 W C 1.190 177.485 176.519 -0.374 0.000 1.233 422 W CA 1.255 58.344 57.345 -0.426 0.000 1.226 422 W CB -1.088 27.776 29.460 -0.994 0.000 1.121 422 W HN 0.459 nan 8.180 nan 0.000 0.579 423 H N 1.224 119.583 119.070 -1.185 0.000 2.456 423 H HA -0.111 4.446 4.556 0.001 0.000 0.296 423 H C 1.832 176.729 175.328 -0.718 0.000 1.079 423 H CA 1.445 56.736 56.048 -1.261 0.000 1.322 423 H CB -0.592 28.556 29.762 -1.023 0.000 1.388 423 H HN 0.274 nan 8.280 nan 0.000 0.538 424 N N 0.547 119.055 118.700 -0.319 0.000 2.430 424 N HA -0.066 4.675 4.740 0.001 0.000 0.186 424 N C 0.683 176.099 175.510 -0.157 0.000 1.032 424 N CA 1.145 54.070 53.050 -0.207 0.000 0.893 424 N CB 0.379 38.779 38.487 -0.146 0.000 0.957 424 N HN 0.449 nan 8.380 nan 0.000 0.442 425 G N 0.592 109.333 108.800 -0.098 0.000 2.697 425 G HA2 -0.139 3.822 3.960 0.001 0.000 0.684 425 G HA3 -0.139 3.822 3.960 0.001 0.000 0.684 425 G C 0.295 175.195 174.900 0.000 0.000 1.274 425 G CA -0.080 44.998 45.100 -0.037 0.000 0.806 425 G HN 0.123 nan 8.290 nan 0.000 0.644 426 E N 0.090 120.060 120.200 -0.384 0.000 2.136 426 E HA -0.303 4.047 4.350 0.001 0.000 0.208 426 E C 1.883 178.342 176.600 -0.235 0.000 1.035 426 E CA 2.164 58.072 56.400 -0.819 0.000 0.838 426 E CB 0.002 28.803 29.700 -1.498 0.000 0.748 426 E HN 0.689 nan 8.360 nan 0.000 0.459 427 E N -0.442 119.653 120.200 -0.175 0.000 2.204 427 E HA -0.195 4.156 4.350 0.001 0.000 0.194 427 E C 1.923 178.517 176.600 -0.010 0.000 0.989 427 E CA 0.826 57.177 56.400 -0.081 0.000 0.824 427 E CB 0.154 29.808 29.700 -0.077 0.000 0.756 427 E HN 0.267 nan 8.360 nan 0.000 0.477 428 E N -0.542 119.671 120.200 0.021 0.000 2.102 428 E HA -0.110 4.240 4.350 0.001 0.000 0.190 428 E C 1.738 178.444 176.600 0.176 0.000 0.971 428 E CA 0.263 56.707 56.400 0.073 0.000 0.821 428 E CB -0.181 29.537 29.700 0.031 0.000 0.777 428 E HN 0.317 nan 8.360 nan 0.000 0.460 429 Y N 2.808 123.169 120.300 0.101 0.000 2.128 429 Y HA -0.227 4.323 4.550 0.001 0.000 0.284 429 Y C 1.910 177.951 175.900 0.236 0.000 1.154 429 Y CA 1.722 59.955 58.100 0.222 0.000 1.149 429 Y CB -0.314 38.344 38.460 0.331 0.000 0.976 429 Y HN 0.017 nan 8.280 nan 0.000 0.505 430 N N 0.530 119.289 118.700 0.098 0.000 2.166 430 N HA -0.186 4.555 4.740 0.001 0.000 0.186 430 N C 1.910 177.400 175.510 -0.032 0.000 1.019 430 N CA 1.315 54.348 53.050 -0.029 0.000 0.856 430 N CB -0.396 38.096 38.487 0.007 0.000 0.993 430 N HN 0.425 nan 8.380 nan 0.000 0.426 431 K N -0.143 120.277 120.400 0.034 0.000 2.147 431 K HA -0.121 4.200 4.320 0.001 0.000 0.205 431 K C 1.878 178.534 176.600 0.093 0.000 1.049 431 K CA 0.675 56.989 56.287 0.045 0.000 0.936 431 K CB -0.159 32.383 32.500 0.071 0.000 0.722 431 K HN 0.052 nan 8.250 nan 0.000 0.446 432 F N 1.875 121.811 119.950 -0.024 0.000 2.084 432 F HA -0.104 4.423 4.527 0.001 0.000 0.296 432 F C 1.767 177.523 175.800 -0.074 0.000 1.111 432 F CA 1.173 59.190 58.000 0.028 0.000 1.224 432 F CB -0.404 38.614 39.000 0.031 0.000 0.991 432 F HN -0.082 nan 8.300 nan 0.000 0.471 433 L N -0.164 120.873 121.223 -0.310 0.000 2.261 433 L HA -0.214 4.126 4.340 0.001 0.000 0.216 433 L C 2.545 179.265 176.870 -0.250 0.000 1.114 433 L CA 0.953 55.559 54.840 -0.391 0.000 0.777 433 L CB -1.231 40.608 42.059 -0.368 0.000 0.910 433 L HN 0.299 nan 8.230 nan 0.000 0.440 434 A N 0.222 122.937 122.820 -0.175 0.000 1.855 434 A HA -0.114 4.206 4.320 0.001 0.000 0.213 434 A C 2.317 179.809 177.584 -0.152 0.000 1.195 434 A CA 0.888 52.847 52.037 -0.130 0.000 0.610 434 A CB -0.190 18.755 19.000 -0.092 0.000 0.837 434 A HN 0.224 nan 8.150 nan 0.000 0.444 435 K N -0.233 120.050 120.400 -0.195 0.000 2.147 435 K HA -0.052 4.269 4.320 0.001 0.000 0.205 435 K C 1.824 178.283 176.600 -0.234 0.000 1.049 435 K CA 1.274 57.382 56.287 -0.297 0.000 0.936 435 K CB -0.399 31.783 32.500 -0.530 0.000 0.722 435 K HN 0.516 nan 8.250 nan 0.000 0.446 436 I N 1.086 121.543 120.570 -0.189 0.000 2.127 436 I HA -0.293 3.877 4.170 0.001 0.000 0.241 436 I C 2.222 178.362 176.117 0.038 0.000 1.075 436 I CA 1.424 62.676 61.300 -0.080 0.000 1.334 436 I CB -0.194 37.566 38.000 -0.401 0.000 1.040 436 I HN 0.133 nan 8.210 nan 0.000 0.405 437 R N 0.483 120.946 120.500 -0.062 0.000 2.328 437 R HA -0.064 4.277 4.340 0.001 0.000 0.207 437 R C 1.891 178.175 176.300 -0.027 0.000 1.056 437 R CA 1.029 57.111 56.100 -0.030 0.000 1.016 437 R CB -0.326 29.938 30.300 -0.061 0.000 0.872 437 R HN 0.401 nan 8.270 nan 0.000 0.471 438 S N 0.045 115.719 115.700 -0.045 0.000 2.803 438 S HA 0.065 4.535 4.470 0.001 0.000 0.226 438 S C 0.546 175.127 174.600 -0.033 0.000 0.962 438 S CA -0.180 57.987 58.200 -0.055 0.000 0.968 438 S CB -0.630 62.510 63.200 -0.099 0.000 0.786 438 S HN 0.125 nan 8.310 nan 0.000 0.527 439 V N -5.061 114.850 119.914 -0.005 0.000 3.216 439 V HA 0.586 4.706 4.120 0.001 0.000 0.302 439 V C -2.686 173.394 176.094 -0.023 0.000 1.286 439 V CA -2.112 60.173 62.300 -0.026 0.000 1.048 439 V CB 1.092 32.881 31.823 -0.058 0.000 1.081 439 V HN -0.107 nan 8.190 nan 0.000 0.442 440 P HA 0.102 nan 4.420 nan 0.000 0.215 440 P C 1.771 179.056 177.300 -0.024 0.000 1.157 440 P CA 1.360 64.441 63.100 -0.033 0.000 0.859 440 P CB 0.205 31.880 31.700 -0.041 0.000 0.786 441 I N -0.518 120.016 120.570 -0.059 0.000 2.208 441 I HA -0.218 3.952 4.170 0.001 0.000 0.245 441 I C 2.459 178.613 176.117 0.062 0.000 1.097 441 I CA 1.772 63.048 61.300 -0.039 0.000 1.363 441 I CB -1.178 36.740 38.000 -0.137 0.000 1.051 441 I HN 0.023 nan 8.210 nan 0.000 0.413 442 G N 0.966 109.847 108.800 0.135 0.000 2.513 442 G HA2 -0.281 3.679 3.960 0.001 0.000 0.219 442 G HA3 -0.281 3.679 3.960 0.001 0.000 0.219 442 G C 1.669 176.623 174.900 0.089 0.000 1.160 442 G CA 0.645 45.892 45.100 0.245 0.000 0.767 442 G HN 0.373 nan 8.290 nan 0.000 0.571 443 R N 0.598 121.124 120.500 0.043 0.000 2.339 443 R HA 0.227 4.567 4.340 0.001 0.000 0.199 443 R C 2.413 178.722 176.300 0.015 0.000 1.018 443 R CA 0.564 56.672 56.100 0.014 0.000 1.036 443 R CB -0.063 30.236 30.300 -0.000 0.000 0.899 443 R HN 0.367 nan 8.270 nan 0.000 0.473 444 A N 0.692 123.529 122.820 0.028 0.000 2.195 444 A HA 0.179 4.499 4.320 0.001 0.000 0.210 444 A C 0.808 178.410 177.584 0.030 0.000 1.165 444 A CA -0.034 52.017 52.037 0.024 0.000 0.806 444 A CB 0.206 19.219 19.000 0.023 0.000 0.847 444 A HN 0.072 nan 8.150 nan 0.000 0.482 445 L N -0.195 121.052 121.223 0.040 0.000 2.421 445 L HA 0.342 4.683 4.340 0.001 0.000 0.263 445 L C -0.323 176.556 176.870 0.015 0.000 1.122 445 L CA -0.651 54.210 54.840 0.035 0.000 0.804 445 L CB 0.569 42.653 42.059 0.042 0.000 1.150 445 L HN 0.025 nan 8.230 nan 0.000 0.457 446 D N 2.212 122.621 120.400 0.016 0.000 2.499 446 D HA 0.377 5.017 4.640 0.001 0.000 0.225 446 D C -0.748 175.561 176.300 0.014 0.000 1.124 446 D CA -0.215 53.792 54.000 0.012 0.000 0.938 446 D CB 0.226 41.034 40.800 0.013 0.000 1.014 446 D HN 0.239 nan 8.370 nan 0.000 0.517 447 L N 3.552 124.781 121.223 0.010 0.000 2.312 447 L HA 0.544 4.884 4.340 0.001 0.000 0.281 447 L C -1.812 175.095 176.870 0.062 0.000 1.070 447 L CA -1.907 52.952 54.840 0.031 0.000 0.805 447 L CB 0.786 42.837 42.059 -0.012 0.000 1.174 447 L HN 0.178 nan 8.230 nan 0.000 0.434 448 P HA 0.207 nan 4.420 nan 0.000 0.277 448 P C -0.777 176.622 177.300 0.164 0.000 1.240 448 P CA -0.534 62.606 63.100 0.066 0.000 0.798 448 P CB 0.705 32.394 31.700 -0.019 0.000 0.979 449 E N 0.650 120.907 120.200 0.096 0.000 2.301 449 E HA 0.028 4.379 4.350 0.001 0.000 0.275 449 E C 0.687 177.351 176.600 0.107 0.000 1.030 449 E CA -0.421 56.086 56.400 0.178 0.000 0.852 449 E CB 0.455 30.220 29.700 0.109 0.000 1.060 449 E HN 0.485 nan 8.360 nan 0.000 0.401 450 Y N 3.041 123.427 120.300 0.143 0.000 2.219 450 Y HA -0.366 4.185 4.550 0.001 0.000 0.283 450 Y C 2.192 178.005 175.900 -0.145 0.000 1.191 450 Y CA 2.508 60.552 58.100 -0.094 0.000 1.199 450 Y CB 0.132 38.660 38.460 0.115 0.000 0.972 450 Y HN 0.525 nan 8.280 nan 0.000 0.527 451 S N -2.332 113.422 115.700 0.091 0.000 2.414 451 S HA -0.127 4.344 4.470 0.001 0.000 0.227 451 S C 1.806 176.356 174.600 -0.082 0.000 1.022 451 S CA 1.122 59.373 58.200 0.086 0.000 0.958 451 S CB -0.830 62.457 63.200 0.146 0.000 0.797 451 S HN 0.479 nan 8.310 nan 0.000 0.493 452 T N 3.311 117.780 114.554 -0.141 0.000 2.777 452 T HA 0.130 4.481 4.350 0.001 0.000 0.266 452 T C 1.774 176.269 174.700 -0.342 0.000 1.040 452 T CA 1.391 63.385 62.100 -0.178 0.000 1.141 452 T CB -0.539 68.247 68.868 -0.136 0.000 0.868 452 T HN 0.294 nan 8.240 nan 0.000 0.444 453 L N -0.560 120.285 121.223 -0.631 0.000 2.056 453 L HA -0.032 4.308 4.340 0.001 0.000 0.207 453 L C 2.487 178.646 176.870 -1.186 0.000 1.078 453 L CA 1.308 55.491 54.840 -1.095 0.000 0.749 453 L CB -0.615 40.305 42.059 -1.897 0.000 0.901 453 L HN 0.180 nan 8.230 nan 0.000 0.433 454 Y N 0.792 120.338 120.300 -1.257 0.000 2.181 454 Y HA -0.226 4.325 4.550 0.001 0.000 0.288 454 Y C 2.795 178.642 175.900 -0.090 0.000 1.146 454 Y CA 1.409 59.155 58.100 -0.590 0.000 1.164 454 Y CB -0.203 38.037 38.460 -0.367 0.000 0.982 454 Y HN -0.038 nan 8.280 nan 0.000 0.515 455 R N 0.841 121.233 120.500 -0.179 0.000 2.075 455 R HA -0.093 4.247 4.340 0.001 0.000 0.232 455 R C 2.451 178.677 176.300 -0.123 0.000 1.126 455 R CA 1.530 57.537 56.100 -0.156 0.000 0.963 455 R CB -0.676 29.570 30.300 -0.090 0.000 0.858 455 R HN 0.371 nan 8.270 nan 0.000 0.435 456 R N -1.322 119.103 120.500 -0.126 0.000 2.075 456 R HA -0.159 4.181 4.340 0.001 0.000 0.232 456 R C 1.972 178.287 176.300 0.024 0.000 1.126 456 R CA 1.504 57.559 56.100 -0.075 0.000 0.963 456 R CB -0.468 29.767 30.300 -0.108 0.000 0.858 456 R HN 0.215 nan 8.270 nan 0.000 0.435 457 W N 1.443 122.677 121.300 -0.109 0.000 2.311 457 W HA -0.257 4.403 4.660 0.001 0.000 0.326 457 W C 1.668 178.215 176.519 0.048 0.000 1.239 457 W CA 1.788 59.169 57.345 0.059 0.000 1.258 457 W CB -0.799 28.891 29.460 0.383 0.000 1.165 457 W HN 0.035 nan 8.180 nan 0.000 0.466 458 L N 0.079 121.301 121.223 -0.001 0.000 1.990 458 L HA -0.299 4.042 4.340 0.001 0.000 0.213 458 L C 2.274 179.084 176.870 -0.100 0.000 1.072 458 L CA 2.007 56.731 54.840 -0.193 0.000 0.755 458 L CB -1.309 40.515 42.059 -0.391 0.000 0.889 458 L HN -0.041 nan 8.230 nan 0.000 0.432 459 D N -0.109 120.228 120.400 -0.106 0.000 2.221 459 D HA -0.162 4.479 4.640 0.001 0.000 0.204 459 D C 2.367 178.607 176.300 -0.100 0.000 0.982 459 D CA 1.658 55.606 54.000 -0.086 0.000 0.857 459 D CB -0.212 40.543 40.800 -0.075 0.000 0.934 459 D HN 0.437 nan 8.370 nan 0.000 0.475 460 S N -0.248 115.351 115.700 -0.168 0.000 2.419 460 S HA -0.152 4.319 4.470 0.001 0.000 0.235 460 S C 0.979 175.343 174.600 -0.393 0.000 1.019 460 S CA 0.350 58.380 58.200 -0.284 0.000 0.982 460 S CB -0.553 62.445 63.200 -0.337 0.000 0.789 460 S HN 0.077 nan 8.310 nan 0.000 0.490 461 F N 0.000 119.828 119.950 -0.204 0.000 2.286 461 F HA 0.000 4.527 4.527 0.001 0.000 0.279 461 F CA 0.000 57.895 58.000 -0.175 0.000 1.383 461 F CB 0.000 38.850 39.000 -0.250 0.000 1.145 461 F HN 0.000 nan 8.300 nan 0.000 0.574