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 1qm5_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN HTAGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRDQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.572 174.600 -0.047 0.000 1.055 1 S CA 0.000 58.140 58.200 -0.100 0.000 1.107 1 S CB 0.000 63.184 63.200 -0.027 0.000 0.593 2 Q N -0.181 119.618 119.800 -0.001 0.000 2.039 2 Q HA 0.305 4.643 4.340 -0.004 0.000 0.153 2 Q C -2.780 173.280 176.000 0.100 0.000 0.617 2 Q CA 0.183 56.000 55.803 0.023 0.000 0.885 2 Q CB -0.584 28.144 28.738 -0.017 0.000 1.090 2 Q HN 0.479 nan 8.270 nan 0.000 0.300 3 P HA 0.272 nan 4.420 nan 0.000 0.271 3 P C -0.880 176.763 177.300 0.573 0.000 1.220 3 P CA 0.367 63.641 63.100 0.290 0.000 0.768 3 P CB 0.570 32.370 31.700 0.167 0.000 0.848 4 I N 3.597 124.427 120.570 0.433 0.000 2.365 4 I HA 0.248 4.416 4.170 -0.004 0.000 0.291 4 I C 0.436 176.594 176.117 0.069 0.000 1.004 4 I CA -0.708 60.764 61.300 0.286 0.000 1.311 4 I CB 0.308 38.377 38.000 0.114 0.000 1.401 4 I HN 0.269 nan 8.210 nan 0.000 0.491 5 F N 7.032 126.702 119.950 -0.467 0.000 2.375 5 F HA 0.359 4.884 4.527 -0.004 0.000 0.333 5 F C 0.090 175.606 175.800 -0.474 0.000 1.104 5 F CA -0.299 57.070 58.000 -1.051 0.000 1.149 5 F CB 0.692 38.837 39.000 -1.425 0.000 1.190 5 F HN 0.509 nan 8.300 nan 0.000 0.533 6 N N 4.219 122.127 118.700 -1.320 0.000 2.500 6 N HA 0.080 4.818 4.740 -0.004 0.000 0.291 6 N C -0.228 174.701 175.510 -0.970 0.000 1.092 6 N CA -0.436 52.137 53.050 -0.796 0.000 0.890 6 N CB 1.209 39.445 38.487 -0.419 0.000 1.466 6 N HN 0.832 nan 8.380 nan 0.000 0.507 7 D N 2.969 123.008 120.400 -0.602 0.000 2.149 7 D HA -0.212 4.426 4.640 -0.004 0.000 0.198 7 D C 1.778 178.037 176.300 -0.067 0.000 0.990 7 D CA 1.516 55.381 54.000 -0.226 0.000 0.839 7 D CB 0.395 41.223 40.800 0.047 0.000 0.948 7 D HN 0.552 nan 8.370 nan 0.000 0.460 8 K N 0.025 120.359 120.400 -0.110 0.000 2.025 8 K HA -0.239 4.079 4.320 -0.004 0.000 0.207 8 K C 2.258 178.809 176.600 -0.081 0.000 1.049 8 K CA 1.374 57.625 56.287 -0.059 0.000 0.933 8 K CB -0.192 32.268 32.500 -0.067 0.000 0.714 8 K HN 0.245 nan 8.250 nan 0.000 0.438 9 Q N -0.241 119.470 119.800 -0.150 0.000 2.084 9 Q HA -0.215 4.123 4.340 -0.004 0.000 0.202 9 Q C 1.990 177.931 176.000 -0.100 0.000 0.978 9 Q CA 1.658 57.377 55.803 -0.140 0.000 0.844 9 Q CB -0.263 28.366 28.738 -0.182 0.000 0.898 9 Q HN 0.400 nan 8.270 nan 0.000 0.426 10 F N 1.249 121.030 119.950 -0.281 0.000 2.134 10 F HA -0.181 4.343 4.527 -0.004 0.000 0.299 10 F C 2.205 177.985 175.800 -0.033 0.000 1.097 10 F CA 1.732 59.646 58.000 -0.144 0.000 1.264 10 F CB -0.237 38.697 39.000 -0.110 0.000 1.001 10 F HN 0.136 nan 8.300 nan 0.000 0.479 11 Q N 0.834 120.629 119.800 -0.009 0.000 2.084 11 Q HA -0.192 4.146 4.340 -0.004 0.000 0.202 11 Q C 2.128 178.060 176.000 -0.114 0.000 0.978 11 Q CA 2.273 58.066 55.803 -0.016 0.000 0.844 11 Q CB -0.371 28.445 28.738 0.129 0.000 0.898 11 Q HN 0.597 nan 8.270 nan 0.000 0.426 12 E N -0.767 119.361 120.200 -0.122 0.000 2.107 12 E HA -0.100 4.248 4.350 -0.004 0.000 0.191 12 E C 1.835 178.289 176.600 -0.243 0.000 0.982 12 E CA 0.809 57.114 56.400 -0.159 0.000 0.809 12 E CB -0.151 29.473 29.700 -0.127 0.000 0.756 12 E HN 0.371 nan 8.360 nan 0.000 0.459 13 A N 1.371 124.040 122.820 -0.251 0.000 1.898 13 A HA -0.137 4.180 4.320 -0.004 0.000 0.216 13 A C 2.176 179.527 177.584 -0.388 0.000 1.181 13 A CA 0.849 52.718 52.037 -0.280 0.000 0.620 13 A CB -0.471 18.407 19.000 -0.204 0.000 0.819 13 A HN 0.205 nan 8.150 nan 0.000 0.442 14 L N 0.930 121.860 121.223 -0.488 0.000 2.017 14 L HA -0.159 4.178 4.340 -0.004 0.000 0.208 14 L C 2.786 179.372 176.870 -0.473 0.000 1.073 14 L CA 2.818 57.355 54.840 -0.505 0.000 0.745 14 L CB -0.651 41.027 42.059 -0.634 0.000 0.894 14 L HN 0.506 nan 8.230 nan 0.000 0.432 15 S N -0.955 114.465 115.700 -0.467 0.000 2.399 15 S HA -0.222 4.246 4.470 -0.004 0.000 0.231 15 S C 2.119 176.021 174.600 -1.163 0.000 1.022 15 S CA 0.988 58.619 58.200 -0.949 0.000 0.983 15 S CB -0.710 62.192 63.200 -0.497 0.000 0.803 15 S HN 0.524 nan 8.310 nan 0.000 0.480 16 R N 0.661 120.745 120.500 -0.694 0.000 2.148 16 R HA 0.011 4.349 4.340 -0.004 0.000 0.227 16 R C 2.511 178.436 176.300 -0.624 0.000 1.103 16 R CA 1.262 57.013 56.100 -0.581 0.000 0.983 16 R CB -0.183 29.880 30.300 -0.395 0.000 0.874 16 R HN 0.513 nan 8.270 nan 0.000 0.451 17 Q N -0.089 119.314 119.800 -0.661 0.000 1.994 17 Q HA -0.154 4.184 4.340 -0.004 0.000 0.198 17 Q C 2.034 177.524 176.000 -0.849 0.000 0.976 17 Q CA 1.398 56.780 55.803 -0.703 0.000 0.828 17 Q CB -0.544 27.860 28.738 -0.557 0.000 0.894 17 Q HN 0.614 nan 8.270 nan 0.000 0.432 18 W N 0.896 121.868 121.300 -0.547 0.000 2.525 18 W HA 0.004 4.662 4.660 -0.003 0.000 0.259 18 W C 1.130 177.498 176.519 -0.253 0.000 1.253 18 W CA 0.373 57.501 57.345 -0.361 0.000 1.262 18 W CB -0.451 28.849 29.460 -0.267 0.000 1.122 18 W HN 0.235 nan 8.180 nan 0.000 0.607 19 Q N 0.986 120.445 119.800 -0.568 0.000 2.187 19 Q HA -0.099 4.239 4.340 -0.004 0.000 0.199 19 Q C 2.414 178.258 176.000 -0.259 0.000 0.957 19 Q CA 1.145 56.692 55.803 -0.426 0.000 0.857 19 Q CB -0.146 28.187 28.738 -0.675 0.000 0.929 19 Q HN 0.207 nan 8.270 nan 0.000 0.453 20 R N -0.704 119.568 120.500 -0.381 0.000 2.276 20 R HA -0.090 4.248 4.340 -0.004 0.000 0.203 20 R C 0.544 176.758 176.300 -0.143 0.000 1.017 20 R CA 0.777 56.699 56.100 -0.297 0.000 1.010 20 R CB 0.284 30.347 30.300 -0.396 0.000 0.900 20 R HN 0.210 nan 8.270 nan 0.000 0.469 21 Y N -0.663 119.605 120.300 -0.053 0.000 2.457 21 Y HA 0.348 4.896 4.550 -0.004 0.000 0.263 21 Y C 1.353 177.253 175.900 0.001 0.000 1.164 21 Y CA -0.249 57.836 58.100 -0.025 0.000 1.274 21 Y CB 0.440 38.890 38.460 -0.016 0.000 1.097 21 Y HN 0.235 nan 8.280 nan 0.000 0.523 22 G N 0.599 109.479 108.800 0.132 0.000 2.198 22 G HA2 -0.269 3.689 3.960 -0.004 0.000 0.260 22 G HA3 -0.269 3.689 3.960 -0.004 0.000 0.260 22 G C -0.334 174.648 174.900 0.137 0.000 1.025 22 G CA -0.030 45.130 45.100 0.100 0.000 0.769 22 G HN 0.131 nan 8.290 nan 0.000 0.507 23 L N -0.813 120.545 121.223 0.226 0.000 2.387 23 L HA 0.557 4.895 4.340 -0.004 0.000 0.266 23 L C 1.344 178.373 176.870 0.265 0.000 1.059 23 L CA -0.351 54.610 54.840 0.202 0.000 0.801 23 L CB 1.111 43.284 42.059 0.189 0.000 1.223 23 L HN 0.109 nan 8.230 nan 0.000 0.456 24 N N -1.177 117.554 118.700 0.051 0.000 2.392 24 N HA 0.076 4.814 4.740 -0.004 0.000 0.177 24 N C -0.536 174.749 175.510 -0.375 0.000 1.066 24 N CA 0.410 53.470 53.050 0.018 0.000 0.895 24 N CB 0.389 38.863 38.487 -0.022 0.000 0.988 24 N HN 0.672 nan 8.380 nan 0.000 0.457 25 S N -2.189 112.956 115.700 -0.924 0.000 2.615 25 S HA 0.619 5.087 4.470 -0.004 0.000 0.268 25 S C 0.397 174.001 174.600 -1.661 0.000 1.146 25 S CA -0.454 56.748 58.200 -1.663 0.000 0.818 25 S CB 0.836 63.630 63.200 -0.677 0.000 1.111 25 S HN -0.044 nan 8.310 nan 0.000 0.465 26 A N 1.015 122.847 122.820 -1.645 0.000 1.972 26 A HA 0.285 4.603 4.320 -0.004 0.000 0.219 26 A C 2.309 179.596 177.584 -0.495 0.000 1.169 26 A CA 2.065 53.449 52.037 -1.089 0.000 0.635 26 A CB -1.608 17.023 19.000 -0.616 0.000 0.810 26 A HN 1.730 nan 8.150 nan 0.000 0.446 27 A N 0.107 122.816 122.820 -0.185 0.000 2.024 27 A HA -0.192 4.126 4.320 -0.004 0.000 0.220 27 A C 1.770 179.353 177.584 -0.001 0.000 1.164 27 A CA 1.582 53.654 52.037 0.058 0.000 0.643 27 A CB -0.500 18.520 19.000 0.034 0.000 0.806 27 A HN 0.679 nan 8.150 nan 0.000 0.451 28 E N -0.643 119.469 120.200 -0.147 0.000 2.482 28 E HA 0.037 4.385 4.350 -0.004 0.000 0.196 28 E C 0.225 176.781 176.600 -0.074 0.000 1.047 28 E CA -0.154 56.192 56.400 -0.090 0.000 0.869 28 E CB -0.155 29.480 29.700 -0.107 0.000 0.836 28 E HN 0.647 nan 8.360 nan 0.000 0.520 29 M N 1.685 121.191 119.600 -0.156 0.000 2.248 29 M HA 0.024 4.502 4.480 -0.004 0.000 0.337 29 M C 0.756 177.077 176.300 0.035 0.000 1.121 29 M CA 0.135 55.332 55.300 -0.171 0.000 1.155 29 M CB 0.677 32.942 32.600 -0.558 0.000 1.514 29 M HN -0.025 nan 8.290 nan 0.000 0.452 30 T N -0.288 114.279 114.554 0.021 0.000 2.816 30 T HA 0.247 4.595 4.350 -0.004 0.000 0.282 30 T C -2.134 172.696 174.700 0.217 0.000 0.993 30 T CA -1.597 60.559 62.100 0.094 0.000 0.994 30 T CB 0.467 69.345 68.868 0.017 0.000 1.025 30 T HN 0.387 nan 8.240 nan 0.000 0.529 31 P HA -0.048 nan 4.420 nan 0.000 0.216 31 P C 1.705 179.177 177.300 0.287 0.000 1.150 31 P CA 0.826 64.081 63.100 0.258 0.000 0.837 31 P CB 0.066 31.861 31.700 0.157 0.000 0.786 32 R N -0.022 120.597 120.500 0.199 0.000 2.066 32 R HA -0.116 4.222 4.340 -0.004 0.000 0.232 32 R C 2.326 178.776 176.300 0.250 0.000 1.131 32 R CA 1.611 57.846 56.100 0.226 0.000 0.955 32 R CB -0.831 29.529 30.300 0.101 0.000 0.851 32 R HN 0.149 nan 8.270 nan 0.000 0.432 33 Q N -1.260 118.590 119.800 0.083 0.000 2.135 33 Q HA -0.215 4.123 4.340 -0.004 0.000 0.204 33 Q C 1.838 177.930 176.000 0.154 0.000 0.981 33 Q CA 1.859 57.646 55.803 -0.026 0.000 0.856 33 Q CB -0.232 28.327 28.738 -0.297 0.000 0.902 33 Q HN 0.468 nan 8.270 nan 0.000 0.425 34 W N -0.459 120.918 121.300 0.127 0.000 2.358 34 W HA -0.226 4.432 4.660 -0.003 0.000 0.303 34 W C 2.039 178.635 176.519 0.128 0.000 1.208 34 W CA 0.766 58.181 57.345 0.117 0.000 1.274 34 W CB -0.288 29.234 29.460 0.104 0.000 1.138 34 W HN 0.333 nan 8.180 nan 0.000 0.515 35 W N 0.328 121.817 121.300 0.314 0.000 2.379 35 W HA -0.156 4.502 4.660 -0.003 0.000 0.307 35 W C 1.929 178.532 176.519 0.141 0.000 1.200 35 W CA 1.829 59.301 57.345 0.212 0.000 1.297 35 W CB -0.813 28.749 29.460 0.169 0.000 1.140 35 W HN -0.233 nan 8.180 nan 0.000 0.507 36 L N 0.685 121.827 121.223 -0.135 0.000 2.046 36 L HA -0.185 4.153 4.340 -0.004 0.000 0.208 36 L C 2.761 179.438 176.870 -0.322 0.000 1.077 36 L CA 1.545 56.137 54.840 -0.414 0.000 0.747 36 L CB -1.388 40.657 42.059 -0.023 0.000 0.896 36 L HN 0.112 nan 8.230 nan 0.000 0.432 37 A N -0.412 122.352 122.820 -0.094 0.000 1.877 37 A HA -0.152 4.166 4.320 -0.004 0.000 0.216 37 A C 2.328 179.788 177.584 -0.207 0.000 1.186 37 A CA 1.845 53.788 52.037 -0.157 0.000 0.620 37 A CB -0.853 18.074 19.000 -0.121 0.000 0.822 37 A HN 0.186 nan 8.150 nan 0.000 0.443 38 V N -0.130 119.732 119.914 -0.086 0.000 2.427 38 V HA -0.198 3.920 4.120 -0.004 0.000 0.248 38 V C 2.782 178.803 176.094 -0.122 0.000 1.051 38 V CA 2.278 64.590 62.300 0.021 0.000 1.048 38 V CB -0.687 31.269 31.823 0.222 0.000 0.666 38 V HN 0.559 nan 8.190 nan 0.000 0.456 39 S N -0.786 114.663 115.700 -0.420 0.000 2.368 39 S HA -0.161 4.307 4.470 -0.004 0.000 0.224 39 S C 1.993 176.082 174.600 -0.852 0.000 1.029 39 S CA 1.072 58.867 58.200 -0.675 0.000 0.988 39 S CB -0.250 62.318 63.200 -1.053 0.000 0.838 39 S HN 0.571 nan 8.310 nan 0.000 0.462 40 E N 1.513 121.321 120.200 -0.652 0.000 2.077 40 E HA -0.104 4.243 4.350 -0.004 0.000 0.193 40 E C 2.383 178.746 176.600 -0.396 0.000 0.989 40 E CA 1.140 57.223 56.400 -0.528 0.000 0.800 40 E CB -0.434 29.030 29.700 -0.393 0.000 0.746 40 E HN 0.467 nan 8.360 nan 0.000 0.452 41 A N 1.163 123.800 122.820 -0.306 0.000 1.877 41 A HA -0.179 4.139 4.320 -0.004 0.000 0.216 41 A C 2.196 179.754 177.584 -0.044 0.000 1.186 41 A CA 1.179 53.098 52.037 -0.197 0.000 0.620 41 A CB -0.541 18.308 19.000 -0.253 0.000 0.822 41 A HN 0.153 nan 8.150 nan 0.000 0.443 42 L N -0.438 120.789 121.223 0.007 0.000 2.083 42 L HA -0.117 4.221 4.340 -0.004 0.000 0.209 42 L C 2.952 179.844 176.870 0.036 0.000 1.083 42 L CA 1.802 56.760 54.840 0.198 0.000 0.752 42 L CB -1.304 40.933 42.059 0.296 0.000 0.899 42 L HN 0.427 nan 8.230 nan 0.000 0.433 43 A N -1.023 121.538 122.820 -0.432 0.000 1.930 43 A HA -0.198 4.120 4.320 -0.004 0.000 0.217 43 A C 2.240 179.784 177.584 -0.066 0.000 1.175 43 A CA 1.467 53.304 52.037 -0.333 0.000 0.627 43 A CB -0.400 18.231 19.000 -0.615 0.000 0.815 43 A HN 0.484 nan 8.150 nan 0.000 0.443 44 E N -0.625 119.517 120.200 -0.096 0.000 2.051 44 E HA -0.185 4.163 4.350 -0.004 0.000 0.192 44 E C 2.112 178.736 176.600 0.041 0.000 0.991 44 E CA 1.498 57.871 56.400 -0.046 0.000 0.799 44 E CB -0.272 29.373 29.700 -0.092 0.000 0.748 44 E HN 0.660 nan 8.360 nan 0.000 0.449 45 M N 0.248 119.917 119.600 0.115 0.000 2.117 45 M HA -0.174 4.304 4.480 -0.004 0.000 0.262 45 M C 2.429 178.903 176.300 0.290 0.000 1.065 45 M CA 0.985 56.419 55.300 0.222 0.000 1.114 45 M CB -0.254 32.560 32.600 0.358 0.000 1.361 45 M HN 0.135 nan 8.290 nan 0.000 0.408 46 L N 0.690 122.086 121.223 0.288 0.000 1.994 46 L HA -0.175 4.163 4.340 -0.004 0.000 0.208 46 L C 2.334 179.289 176.870 0.142 0.000 1.071 46 L CA 1.946 56.911 54.840 0.208 0.000 0.745 46 L CB -0.553 41.634 42.059 0.213 0.000 0.892 46 L HN 0.150 nan 8.230 nan 0.000 0.431 47 R N -0.515 120.049 120.500 0.107 0.000 2.293 47 R HA -0.028 4.310 4.340 -0.004 0.000 0.219 47 R C 1.636 177.969 176.300 0.055 0.000 1.091 47 R CA 0.782 56.918 56.100 0.061 0.000 1.004 47 R CB -0.442 29.875 30.300 0.028 0.000 0.865 47 R HN 0.522 nan 8.270 nan 0.000 0.469 48 A N 1.240 124.104 122.820 0.074 0.000 2.345 48 A HA 0.006 4.324 4.320 -0.004 0.000 0.225 48 A C 0.549 178.181 177.584 0.081 0.000 1.243 48 A CA -0.345 51.727 52.037 0.059 0.000 0.875 48 A CB -0.000 19.026 19.000 0.043 0.000 0.929 48 A HN 0.327 nan 8.150 nan 0.000 0.502 49 Q N -0.012 119.855 119.800 0.111 0.000 2.215 49 Q HA 0.620 4.957 4.340 -0.004 0.000 0.256 49 Q C -2.897 173.171 176.000 0.113 0.000 0.972 49 Q CA -2.115 53.762 55.803 0.123 0.000 0.889 49 Q CB 0.466 29.303 28.738 0.165 0.000 1.281 49 Q HN 0.024 nan 8.270 nan 0.000 0.456 50 P HA 0.133 nan 4.420 nan 0.000 0.284 50 P C -1.253 176.121 177.300 0.122 0.000 1.343 50 P CA -0.357 62.799 63.100 0.093 0.000 0.826 50 P CB -0.050 31.679 31.700 0.049 0.000 0.956 51 F N 3.751 123.705 119.950 0.007 0.000 2.563 51 F HA 0.319 4.844 4.527 -0.004 0.000 0.363 51 F C 0.245 176.044 175.800 -0.002 0.000 1.123 51 F CA -0.926 57.074 58.000 -0.001 0.000 1.307 51 F CB 0.330 39.328 39.000 -0.003 0.000 1.115 51 F HN 0.378 nan 8.300 nan 0.000 0.592 52 A N 6.454 128.839 122.820 -0.724 0.000 2.363 52 A HA 0.283 4.601 4.320 -0.004 0.000 0.270 52 A C 0.006 176.889 177.584 -1.168 0.000 1.121 52 A CA -0.764 50.860 52.037 -0.689 0.000 0.800 52 A CB 0.154 18.936 19.000 -0.363 0.000 1.052 52 A HN 0.854 nan 8.150 nan 0.000 0.493 53 K N 2.826 122.860 120.400 -0.610 0.000 2.350 53 K HA 0.271 4.589 4.320 -0.004 0.000 0.279 53 K C -1.973 174.468 176.600 -0.265 0.000 1.027 53 K CA -1.307 54.727 56.287 -0.422 0.000 0.969 53 K CB 0.478 32.866 32.500 -0.187 0.000 0.954 53 K HN 0.609 nan 8.250 nan 0.000 0.474 54 P HA 0.005 nan 4.420 nan 0.000 0.273 54 P C -0.356 176.938 177.300 -0.009 0.000 1.250 54 P CA -0.482 62.608 63.100 -0.016 0.000 0.793 54 P CB 0.511 32.267 31.700 0.094 0.000 1.011 55 V N 0.626 120.545 119.914 0.008 0.000 2.928 55 V HA -0.026 4.092 4.120 -0.004 0.000 0.307 55 V C 1.731 177.840 176.094 0.024 0.000 1.105 55 V CA 0.876 63.183 62.300 0.011 0.000 1.223 55 V CB -0.005 31.831 31.823 0.020 0.000 0.930 55 V HN 0.768 nan 8.190 nan 0.000 0.499 56 A N 4.021 126.852 122.820 0.019 0.000 2.305 56 A HA 0.085 4.403 4.320 -0.004 0.000 0.236 56 A C 0.719 178.323 177.584 0.034 0.000 1.392 56 A CA -0.080 51.974 52.037 0.027 0.000 1.205 56 A CB -1.516 17.494 19.000 0.017 0.000 0.881 56 A HN 0.963 nan 8.150 nan 0.000 0.558 57 N N -0.108 118.618 118.700 0.043 0.000 2.374 57 N HA 0.021 4.759 4.740 -0.004 0.000 0.241 57 N C 1.181 176.719 175.510 0.047 0.000 1.262 57 N CA 0.389 53.468 53.050 0.048 0.000 0.880 57 N CB 0.358 38.883 38.487 0.063 0.000 1.105 57 N HN 0.611 nan 8.380 nan 0.000 0.438 58 Q N 1.177 120.994 119.800 0.028 0.000 1.990 58 Q HA -0.082 4.256 4.340 -0.004 0.000 0.200 58 Q C -0.240 175.772 176.000 0.020 0.000 0.980 58 Q CA 1.218 57.017 55.803 -0.006 0.000 0.832 58 Q CB 0.321 29.033 28.738 -0.044 0.000 0.897 58 Q HN 0.481 nan 8.270 nan 0.000 0.427 59 R N 0.371 120.898 120.500 0.044 0.000 2.604 59 R HA 0.275 4.613 4.340 -0.004 0.000 0.287 59 R C -0.518 175.835 176.300 0.088 0.000 0.970 59 R CA -0.640 55.504 56.100 0.073 0.000 0.946 59 R CB 1.181 31.507 30.300 0.043 0.000 1.127 59 R HN 0.279 nan 8.270 nan 0.000 0.473 60 H N 2.146 121.234 119.070 0.029 0.000 2.548 60 H HA 0.202 4.756 4.556 -0.003 0.000 0.331 60 H C -0.879 174.399 175.328 -0.084 0.000 1.093 60 H CA -0.242 55.805 56.048 -0.002 0.000 1.367 60 H CB 1.131 30.915 29.762 0.037 0.000 1.455 60 H HN 0.167 nan 8.280 nan 0.000 0.519 61 V N 5.995 125.545 119.914 -0.606 0.000 2.427 61 V HA 0.119 4.236 4.120 -0.004 0.000 0.286 61 V C 0.129 175.993 176.094 -0.384 0.000 1.034 61 V CA -0.816 61.133 62.300 -0.584 0.000 0.893 61 V CB 1.286 32.544 31.823 -0.942 0.000 0.982 61 V HN 0.752 nan 8.190 nan 0.000 0.452 62 N N 3.782 122.410 118.700 -0.119 0.000 2.564 62 N HA 0.246 4.984 4.740 -0.004 0.000 0.248 62 N C -1.276 174.358 175.510 0.206 0.000 0.986 62 N CA -0.356 52.799 53.050 0.175 0.000 0.921 62 N CB 1.623 40.308 38.487 0.331 0.000 1.136 62 N HN 0.687 nan 8.380 nan 0.000 0.509 63 Y N 2.986 123.353 120.300 0.113 0.000 2.477 63 Y HA 0.372 4.920 4.550 -0.004 0.000 0.349 63 Y C 0.046 176.186 175.900 0.399 0.000 0.977 63 Y CA -0.498 57.720 58.100 0.197 0.000 1.214 63 Y CB 0.363 38.935 38.460 0.187 0.000 1.124 63 Y HN 0.375 nan 8.280 nan 0.000 0.521 64 I N 5.126 125.774 120.570 0.131 0.000 2.304 64 I HA 0.306 4.474 4.170 -0.004 0.000 0.291 64 I C -0.103 176.067 176.117 0.088 0.000 1.018 64 I CA -0.345 61.108 61.300 0.254 0.000 1.260 64 I CB 1.018 39.150 38.000 0.220 0.000 1.390 64 I HN 0.458 nan 8.210 nan 0.000 0.475 65 S N 6.125 121.950 115.700 0.208 0.000 2.546 65 S HA 0.435 4.903 4.470 -0.004 0.000 0.272 65 S C 0.516 175.221 174.600 0.175 0.000 1.140 65 S CA -0.731 57.468 58.200 -0.001 0.000 0.920 65 S CB 1.794 64.712 63.200 -0.471 0.000 1.083 65 S HN 0.661 nan 8.310 nan 0.000 0.476 66 M N 2.331 122.056 119.600 0.208 0.000 2.557 66 M HA 0.042 4.519 4.480 -0.004 0.000 0.259 66 M C 0.383 176.820 176.300 0.228 0.000 1.086 66 M CA 1.021 56.462 55.300 0.235 0.000 1.096 66 M CB -0.450 32.214 32.600 0.107 0.000 1.424 66 M HN 0.747 nan 8.290 nan 0.000 0.488 67 E N -0.552 119.683 120.200 0.059 0.000 2.292 67 E HA 0.457 4.805 4.350 -0.004 0.000 0.272 67 E C -1.416 175.088 176.600 -0.159 0.000 0.881 67 E CA -0.689 55.740 56.400 0.049 0.000 0.754 67 E CB 1.334 31.004 29.700 -0.050 0.000 1.201 67 E HN -0.020 nan 8.360 nan 0.000 0.425 68 F N 2.535 122.526 119.950 0.067 0.000 2.676 68 F HA 0.256 4.781 4.527 -0.003 0.000 0.371 68 F C -0.549 175.231 175.800 -0.034 0.000 1.141 68 F CA -0.891 57.129 58.000 0.033 0.000 1.133 68 F CB 1.525 40.548 39.000 0.037 0.000 1.376 68 F HN 0.457 nan 8.300 nan 0.000 0.491 69 L N 5.718 126.985 121.223 0.073 0.000 2.437 69 L HA 0.254 4.592 4.340 -0.004 0.000 0.243 69 L C 1.394 178.274 176.870 0.015 0.000 1.346 69 L CA 0.433 55.276 54.840 0.005 0.000 1.233 69 L CB -0.762 41.294 42.059 -0.005 0.000 1.436 69 L HN 0.655 nan 8.230 nan 0.000 0.416 70 I N -0.535 120.028 120.570 -0.011 0.000 2.493 70 I HA 0.243 4.411 4.170 -0.004 0.000 0.254 70 I C 1.331 177.395 176.117 -0.089 0.000 1.160 70 I CA 0.500 61.776 61.300 -0.039 0.000 1.445 70 I CB -0.955 37.000 38.000 -0.075 0.000 1.086 70 I HN 0.550 nan 8.210 nan 0.000 0.433 71 G N 1.655 110.383 108.800 -0.119 0.000 2.804 71 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.230 71 G HA3 -0.270 3.688 3.960 -0.004 0.000 0.230 71 G C -0.288 174.553 174.900 -0.098 0.000 1.386 71 G CA -0.196 44.832 45.100 -0.121 0.000 0.875 71 G HN 0.601 nan 8.290 nan 0.000 0.557 72 R N -0.696 119.766 120.500 -0.063 0.000 2.583 72 R HA 0.223 4.560 4.340 -0.004 0.000 0.274 72 R C 1.031 177.343 176.300 0.020 0.000 0.998 72 R CA -0.230 55.887 56.100 0.028 0.000 1.081 72 R CB 0.210 30.529 30.300 0.031 0.000 0.940 72 R HN 0.345 nan 8.270 nan 0.000 0.413 73 L N 2.070 123.359 121.223 0.109 0.000 2.388 73 L HA 0.011 4.349 4.340 -0.004 0.000 0.209 73 L C 2.044 178.839 176.870 -0.125 0.000 1.061 73 L CA 1.521 56.313 54.840 -0.080 0.000 0.834 73 L CB -0.408 41.533 42.059 -0.195 0.000 1.029 73 L HN 0.703 nan 8.230 nan 0.000 0.473 74 T N -0.466 114.202 114.554 0.190 0.000 2.635 74 T HA -0.187 4.161 4.350 -0.004 0.000 0.267 74 T C 1.785 176.605 174.700 0.199 0.000 1.040 74 T CA 1.618 63.917 62.100 0.332 0.000 1.156 74 T CB -0.815 68.433 68.868 0.633 0.000 0.863 74 T HN 0.474 nan 8.240 nan 0.000 0.430 75 G N 1.275 110.197 108.800 0.204 0.000 2.446 75 G HA2 -0.320 3.638 3.960 -0.004 0.000 0.217 75 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.217 75 G C 1.509 176.501 174.900 0.154 0.000 1.168 75 G CA 1.336 46.574 45.100 0.230 0.000 0.771 75 G HN 0.570 nan 8.290 nan 0.000 0.551 76 N N 0.911 119.624 118.700 0.022 0.000 2.104 76 N HA -0.137 4.600 4.740 -0.004 0.000 0.190 76 N C 2.043 177.503 175.510 -0.085 0.000 1.024 76 N CA 1.744 54.759 53.050 -0.058 0.000 0.853 76 N CB -0.237 38.172 38.487 -0.129 0.000 1.008 76 N HN 0.181 nan 8.380 nan 0.000 0.424 77 N N 0.150 118.749 118.700 -0.168 0.000 2.120 77 N HA -0.085 4.653 4.740 -0.004 0.000 0.188 77 N C 1.622 177.051 175.510 -0.134 0.000 1.024 77 N CA 0.759 53.658 53.050 -0.252 0.000 0.852 77 N CB -0.366 37.792 38.487 -0.547 0.000 1.003 77 N HN 0.324 nan 8.380 nan 0.000 0.424 78 L N 0.316 121.542 121.223 0.005 0.000 2.017 78 L HA -0.114 4.224 4.340 -0.004 0.000 0.208 78 L C 2.326 179.251 176.870 0.093 0.000 1.073 78 L CA 0.720 55.611 54.840 0.085 0.000 0.745 78 L CB -0.414 41.738 42.059 0.154 0.000 0.894 78 L HN 0.177 nan 8.230 nan 0.000 0.432 79 L N -0.195 121.106 121.223 0.130 0.000 2.017 79 L HA -0.263 4.075 4.340 -0.004 0.000 0.208 79 L C 2.157 179.055 176.870 0.047 0.000 1.073 79 L CA 1.878 56.773 54.840 0.092 0.000 0.745 79 L CB -0.379 41.705 42.059 0.042 0.000 0.894 79 L HN 0.311 nan 8.230 nan 0.000 0.432 80 N N -0.550 118.160 118.700 0.015 0.000 2.223 80 N HA -0.172 4.566 4.740 -0.004 0.000 0.185 80 N C 1.812 177.214 175.510 -0.178 0.000 1.016 80 N CA 1.139 54.196 53.050 0.012 0.000 0.863 80 N CB -0.107 38.379 38.487 -0.002 0.000 0.983 80 N HN 0.379 nan 8.380 nan 0.000 0.429 81 L N -0.167 120.898 121.223 -0.262 0.000 2.395 81 L HA 0.066 4.404 4.340 -0.004 0.000 0.218 81 L C 1.231 177.901 176.870 -0.334 0.000 1.130 81 L CA 0.205 54.748 54.840 -0.494 0.000 0.826 81 L CB -0.190 41.261 42.059 -1.013 0.000 0.941 81 L HN 0.261 nan 8.230 nan 0.000 0.451 82 G N -1.347 107.382 108.800 -0.119 0.000 2.160 82 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.251 82 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.251 82 G C 0.117 175.175 174.900 0.264 0.000 1.008 82 G CA 0.133 45.256 45.100 0.038 0.000 0.724 82 G HN 0.375 nan 8.290 nan 0.000 0.514 83 W N -1.116 120.145 121.300 -0.065 0.000 3.220 83 W HA 0.402 5.060 4.660 -0.004 0.000 0.328 83 W C 1.664 178.025 176.519 -0.264 0.000 1.205 83 W CA -0.705 56.510 57.345 -0.216 0.000 1.773 83 W CB -0.901 28.430 29.460 -0.215 0.000 1.086 83 W HN 0.343 nan 8.180 nan 0.000 0.622 84 Y N 1.962 122.269 120.300 0.012 0.000 2.040 84 Y HA -0.357 4.191 4.550 -0.004 0.000 0.275 84 Y C 2.638 178.473 175.900 -0.107 0.000 1.171 84 Y CA 2.549 60.625 58.100 -0.040 0.000 1.123 84 Y CB -0.451 38.002 38.460 -0.011 0.000 0.963 84 Y HN -0.175 nan 8.280 nan 0.000 0.493 85 Q N 0.197 120.101 119.800 0.174 0.000 2.096 85 Q HA -0.201 4.137 4.340 -0.004 0.000 0.204 85 Q C 1.849 177.771 176.000 -0.129 0.000 0.982 85 Q CA 1.889 57.728 55.803 0.060 0.000 0.850 85 Q CB -0.430 28.344 28.738 0.060 0.000 0.901 85 Q HN 0.620 nan 8.270 nan 0.000 0.422 86 D N -0.402 119.827 120.400 -0.285 0.000 2.097 86 D HA -0.119 4.519 4.640 -0.004 0.000 0.195 86 D C 2.063 177.976 176.300 -0.644 0.000 0.989 86 D CA 0.906 54.609 54.000 -0.494 0.000 0.827 86 D CB -0.176 40.089 40.800 -0.892 0.000 0.966 86 D HN 0.053 nan 8.370 nan 0.000 0.456 87 V N 0.996 120.388 119.914 -0.870 0.000 2.332 87 V HA -0.266 3.852 4.120 -0.004 0.000 0.248 87 V C 2.634 178.498 176.094 -0.383 0.000 1.055 87 V CA 1.671 63.522 62.300 -0.748 0.000 1.038 87 V CB -0.518 30.933 31.823 -0.620 0.000 0.651 87 V HN 0.209 nan 8.190 nan 0.000 0.450 88 Q N -0.373 119.242 119.800 -0.308 0.000 2.061 88 Q HA -0.257 4.080 4.340 -0.004 0.000 0.204 88 Q C 2.046 178.003 176.000 -0.073 0.000 0.984 88 Q CA 2.196 57.900 55.803 -0.165 0.000 0.846 88 Q CB -0.120 28.563 28.738 -0.092 0.000 0.902 88 Q HN 0.660 nan 8.270 nan 0.000 0.421 89 D N -0.359 119.999 120.400 -0.071 0.000 2.084 89 D HA -0.121 4.517 4.640 -0.004 0.000 0.194 89 D C 2.046 178.373 176.300 0.045 0.000 0.990 89 D CA 1.453 55.448 54.000 -0.008 0.000 0.826 89 D CB -0.367 40.429 40.800 -0.006 0.000 0.971 89 D HN 0.140 nan 8.370 nan 0.000 0.453 90 S N 0.351 116.082 115.700 0.052 0.000 2.419 90 S HA -0.125 4.343 4.470 -0.004 0.000 0.235 90 S C 1.762 176.579 174.600 0.362 0.000 1.019 90 S CA 0.456 58.784 58.200 0.214 0.000 0.982 90 S CB -0.056 63.281 63.200 0.229 0.000 0.789 90 S HN 0.114 nan 8.310 nan 0.000 0.490 91 L N 1.614 122.974 121.223 0.229 0.000 2.341 91 L HA 0.159 4.497 4.340 -0.004 0.000 0.214 91 L C 2.167 179.151 176.870 0.191 0.000 1.115 91 L CA 1.144 56.147 54.840 0.271 0.000 0.820 91 L CB -0.668 41.437 42.059 0.076 0.000 0.944 91 L HN 0.202 nan 8.230 nan 0.000 0.452 92 K N 0.372 120.838 120.400 0.110 0.000 2.032 92 K HA -0.227 4.090 4.320 -0.004 0.000 0.209 92 K C 1.961 178.597 176.600 0.060 0.000 1.048 92 K CA 1.678 58.000 56.287 0.058 0.000 0.927 92 K CB -0.050 32.471 32.500 0.036 0.000 0.712 92 K HN 0.243 nan 8.250 nan 0.000 0.441 93 A N 0.581 123.437 122.820 0.060 0.000 1.948 93 A HA -0.189 4.129 4.320 -0.004 0.000 0.220 93 A C 1.624 179.140 177.584 -0.114 0.000 1.177 93 A CA 1.581 53.581 52.037 -0.061 0.000 0.636 93 A CB -0.862 18.047 19.000 -0.152 0.000 0.815 93 A HN 0.528 nan 8.150 nan 0.000 0.449 94 Y N -0.566 119.780 120.300 0.077 0.000 2.471 94 Y HA 0.125 4.672 4.550 -0.004 0.000 0.286 94 Y C 0.745 176.634 175.900 -0.019 0.000 1.188 94 Y CA 0.110 58.260 58.100 0.085 0.000 1.286 94 Y CB -0.131 38.448 38.460 0.198 0.000 1.072 94 Y HN 0.476 nan 8.280 nan 0.000 0.517 95 D N 0.993 121.437 120.400 0.073 0.000 2.699 95 D HA -0.197 4.441 4.640 -0.004 0.000 0.239 95 D C -0.826 175.433 176.300 -0.068 0.000 1.136 95 D CA 0.375 54.379 54.000 0.007 0.000 0.668 95 D CB -0.732 40.077 40.800 0.015 0.000 1.060 95 D HN 0.124 nan 8.370 nan 0.000 0.429 96 I N 1.655 122.153 120.570 -0.119 0.000 2.433 96 I HA 0.225 4.392 4.170 -0.004 0.000 0.292 96 I C 0.640 176.662 176.117 -0.158 0.000 1.001 96 I CA -0.647 60.485 61.300 -0.281 0.000 1.119 96 I CB 1.583 39.203 38.000 -0.634 0.000 1.289 96 I HN 0.045 nan 8.210 nan 0.000 0.438 97 N N 4.257 122.878 118.700 -0.132 0.000 2.414 97 N HA 0.161 4.898 4.740 -0.004 0.000 0.256 97 N C 0.976 176.454 175.510 -0.054 0.000 1.029 97 N CA -0.496 52.518 53.050 -0.061 0.000 0.948 97 N CB 1.065 39.534 38.487 -0.029 0.000 1.102 97 N HN 0.532 nan 8.380 nan 0.000 0.496 98 L N 3.709 124.905 121.223 -0.045 0.000 2.012 98 L HA -0.127 4.211 4.340 -0.004 0.000 0.210 98 L C 1.876 178.759 176.870 0.021 0.000 1.073 98 L CA 2.004 56.815 54.840 -0.050 0.000 0.748 98 L CB -0.900 41.059 42.059 -0.166 0.000 0.891 98 L HN 0.638 nan 8.230 nan 0.000 0.431 99 T N -0.334 114.261 114.554 0.068 0.000 2.720 99 T HA -0.177 4.171 4.350 -0.004 0.000 0.268 99 T C 1.482 176.232 174.700 0.083 0.000 1.037 99 T CA 1.677 63.849 62.100 0.119 0.000 1.144 99 T CB -0.361 68.580 68.868 0.121 0.000 0.864 99 T HN 0.447 nan 8.240 nan 0.000 0.444 100 D N 0.799 121.231 120.400 0.054 0.000 2.149 100 D HA 0.023 4.661 4.640 -0.004 0.000 0.201 100 D C 2.115 178.451 176.300 0.061 0.000 0.972 100 D CA 0.424 54.452 54.000 0.047 0.000 0.835 100 D CB -0.422 40.393 40.800 0.026 0.000 0.966 100 D HN 0.292 nan 8.370 nan 0.000 0.476 101 L N 0.671 121.935 121.223 0.068 0.000 2.079 101 L HA -0.146 4.192 4.340 -0.004 0.000 0.210 101 L C 2.167 179.174 176.870 0.229 0.000 1.081 101 L CA 1.014 55.940 54.840 0.142 0.000 0.752 101 L CB -0.177 41.958 42.059 0.127 0.000 0.896 101 L HN -0.020 nan 8.230 nan 0.000 0.433 102 L N -0.273 121.069 121.223 0.199 0.000 2.191 102 L HA -0.189 4.148 4.340 -0.004 0.000 0.212 102 L C 2.311 179.209 176.870 0.046 0.000 1.103 102 L CA 0.880 55.850 54.840 0.216 0.000 0.769 102 L CB -0.448 41.728 42.059 0.196 0.000 0.908 102 L HN 0.314 nan 8.230 nan 0.000 0.438 103 E N 0.029 120.246 120.200 0.027 0.000 2.418 103 E HA -0.159 4.189 4.350 -0.004 0.000 0.197 103 E C 1.910 178.455 176.600 -0.090 0.000 1.026 103 E CA 0.438 56.828 56.400 -0.017 0.000 0.862 103 E CB 0.144 29.860 29.700 0.025 0.000 0.799 103 E HN 0.283 nan 8.360 nan 0.000 0.518 104 E N 0.592 120.707 120.200 -0.143 0.000 2.268 104 E HA -0.130 4.218 4.350 -0.004 0.000 0.195 104 E C 0.244 176.523 176.600 -0.536 0.000 0.995 104 E CA 0.355 56.627 56.400 -0.214 0.000 0.836 104 E CB -0.132 29.538 29.700 -0.050 0.000 0.763 104 E HN 0.407 nan 8.360 nan 0.000 0.491 105 E N 1.133 120.818 120.200 -0.858 0.000 2.299 105 E HA 0.077 4.424 4.350 -0.004 0.000 0.272 105 E C -0.405 176.003 176.600 -0.321 0.000 1.043 105 E CA -0.144 55.682 56.400 -0.957 0.000 0.895 105 E CB 0.384 29.665 29.700 -0.698 0.000 1.011 105 E HN -0.009 nan 8.360 nan 0.000 0.432 106 I N 4.673 125.145 120.570 -0.163 0.000 2.352 106 I HA 0.045 4.213 4.170 -0.004 0.000 0.290 106 I C -0.183 175.953 176.117 0.033 0.000 1.036 106 I CA -0.747 60.556 61.300 0.005 0.000 1.336 106 I CB 0.802 38.873 38.000 0.118 0.000 1.407 106 I HN 0.511 nan 8.210 nan 0.000 0.497 107 D N 8.916 129.292 120.400 -0.039 0.000 2.586 107 D HA 0.024 4.662 4.640 -0.004 0.000 0.234 107 D C -2.275 173.855 176.300 -0.283 0.000 1.132 107 D CA -0.490 53.438 54.000 -0.119 0.000 0.860 107 D CB -0.004 40.714 40.800 -0.138 0.000 1.159 107 D HN 0.226 nan 8.370 nan 0.000 0.490 108 P HA 0.057 nan 4.420 nan 0.000 0.260 108 P C -0.636 175.939 177.300 -1.209 0.000 1.185 108 P CA 0.047 62.346 63.100 -1.335 0.000 0.763 108 P CB 0.499 31.400 31.700 -1.331 0.000 0.776 109 A N 4.408 126.270 122.820 -1.598 0.000 2.981 109 A HA 0.130 4.448 4.320 -0.004 0.000 0.280 109 A C 0.409 177.736 177.584 -0.427 0.000 1.797 109 A CA 0.432 52.055 52.037 -0.691 0.000 1.456 109 A CB -1.118 17.716 19.000 -0.276 0.000 1.057 109 A HN 0.424 nan 8.150 nan 0.000 0.602 110 L N 0.635 121.663 121.223 -0.325 0.000 2.966 110 L HA 0.366 4.704 4.340 -0.004 0.000 0.262 110 L C 0.973 177.854 176.870 0.018 0.000 1.165 110 L CA 0.587 55.413 54.840 -0.024 0.000 0.978 110 L CB 0.001 42.028 42.059 -0.053 0.000 1.337 110 L HN 0.616 nan 8.230 nan 0.000 0.563 111 G N -1.326 107.413 108.800 -0.101 0.000 2.708 111 G HA2 0.360 4.318 3.960 -0.004 0.000 0.289 111 G HA3 0.360 4.318 3.960 -0.004 0.000 0.289 111 G C -0.029 174.806 174.900 -0.108 0.000 1.416 111 G CA -0.128 44.918 45.100 -0.090 0.000 0.829 111 G HN -0.140 nan 8.290 nan 0.000 0.480 112 N N -1.495 117.191 118.700 -0.024 0.000 2.594 112 N HA 0.317 5.054 4.740 -0.004 0.000 0.237 112 N C 0.889 176.436 175.510 0.061 0.000 1.057 112 N CA 1.356 54.428 53.050 0.037 0.000 0.883 112 N CB 1.105 39.728 38.487 0.227 0.000 1.538 112 N HN 0.938 nan 8.380 nan 0.000 0.451 113 G N -1.245 107.604 108.800 0.082 0.000 2.726 113 G HA2 0.347 4.305 3.960 -0.004 0.000 0.198 113 G HA3 0.347 4.305 3.960 -0.004 0.000 0.198 113 G C 0.689 175.613 174.900 0.039 0.000 1.195 113 G CA 0.200 45.344 45.100 0.074 0.000 0.951 113 G HN 0.199 nan 8.290 nan 0.000 0.532 114 G N 0.159 108.981 108.800 0.037 0.000 2.624 114 G HA2 -0.230 3.728 3.960 -0.004 0.000 0.221 114 G HA3 -0.230 3.728 3.960 -0.004 0.000 0.221 114 G C 1.837 176.707 174.900 -0.051 0.000 1.169 114 G CA 2.042 47.141 45.100 -0.001 0.000 0.771 114 G HN 0.866 nan 8.290 nan 0.000 0.598 115 L N 1.538 122.721 121.223 -0.067 0.000 2.017 115 L HA 0.167 4.504 4.340 -0.004 0.000 0.208 115 L C 2.835 179.600 176.870 -0.175 0.000 1.073 115 L CA 2.562 57.284 54.840 -0.197 0.000 0.745 115 L CB -1.114 40.813 42.059 -0.221 0.000 0.894 115 L HN 0.169 nan 8.230 nan 0.000 0.432 116 G N -1.013 107.733 108.800 -0.090 0.000 2.422 116 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.218 116 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.218 116 G C 1.758 176.615 174.900 -0.071 0.000 1.146 116 G CA 0.816 45.855 45.100 -0.101 0.000 0.769 116 G HN 0.357 nan 8.290 nan 0.000 0.547 117 R N 0.073 120.552 120.500 -0.034 0.000 2.153 117 R HA 0.226 4.564 4.340 -0.004 0.000 0.218 117 R C 2.285 178.566 176.300 -0.031 0.000 1.072 117 R CA 0.421 56.535 56.100 0.024 0.000 0.990 117 R CB -0.722 29.613 30.300 0.058 0.000 0.889 117 R HN 0.343 nan 8.270 nan 0.000 0.452 118 L N -0.256 120.876 121.223 -0.152 0.000 2.027 118 L HA -0.038 4.300 4.340 -0.004 0.000 0.206 118 L C 1.875 178.442 176.870 -0.506 0.000 1.074 118 L CA 2.008 56.626 54.840 -0.370 0.000 0.745 118 L CB -0.908 40.920 42.059 -0.384 0.000 0.898 118 L HN 0.343 nan 8.230 nan 0.000 0.433 119 A N -0.159 122.478 122.820 -0.305 0.000 1.940 119 A HA -0.197 4.120 4.320 -0.004 0.000 0.219 119 A C 2.440 180.041 177.584 0.028 0.000 1.176 119 A CA 1.852 53.775 52.037 -0.190 0.000 0.631 119 A CB -0.719 18.018 19.000 -0.437 0.000 0.814 119 A HN 0.568 nan 8.150 nan 0.000 0.446 120 A N -1.062 121.803 122.820 0.075 0.000 1.877 120 A HA -0.165 4.152 4.320 -0.004 0.000 0.216 120 A C 2.320 179.983 177.584 0.131 0.000 1.186 120 A CA 1.663 53.794 52.037 0.156 0.000 0.620 120 A CB -1.288 17.787 19.000 0.125 0.000 0.822 120 A HN 0.599 nan 8.150 nan 0.000 0.443 121 C N -1.445 117.934 119.300 0.131 0.000 2.425 121 C HA -0.053 4.405 4.460 -0.004 0.000 0.277 121 C C 2.439 177.623 174.990 0.322 0.000 1.280 121 C CA 0.579 59.729 59.018 0.220 0.000 1.744 121 C CB -1.610 26.284 27.740 0.258 0.000 1.989 121 C HN 0.601 nan 8.230 nan 0.000 0.491 122 F N 0.381 120.329 119.950 -0.004 0.000 2.134 122 F HA -0.054 4.471 4.527 -0.004 0.000 0.299 122 F C 2.116 177.874 175.800 -0.070 0.000 1.097 122 F CA 0.985 58.938 58.000 -0.077 0.000 1.264 122 F CB -1.378 37.432 39.000 -0.316 0.000 1.001 122 F HN 0.091 nan 8.300 nan 0.000 0.479 123 L N 0.336 121.647 121.223 0.146 0.000 2.046 123 L HA -0.223 4.115 4.340 -0.004 0.000 0.208 123 L C 2.147 179.049 176.870 0.052 0.000 1.077 123 L CA 1.888 56.772 54.840 0.072 0.000 0.747 123 L CB -1.369 40.741 42.059 0.086 0.000 0.896 123 L HN 0.125 nan 8.230 nan 0.000 0.432 124 D N -1.593 118.851 120.400 0.073 0.000 2.097 124 D HA -0.167 4.470 4.640 -0.004 0.000 0.195 124 D C 2.179 178.513 176.300 0.056 0.000 0.989 124 D CA 1.466 55.494 54.000 0.046 0.000 0.827 124 D CB 0.196 41.023 40.800 0.046 0.000 0.966 124 D HN 0.174 nan 8.370 nan 0.000 0.456 125 S N -0.755 114.998 115.700 0.087 0.000 2.368 125 S HA -0.087 4.381 4.470 -0.004 0.000 0.224 125 S C 1.995 176.623 174.600 0.046 0.000 1.029 125 S CA 0.841 59.082 58.200 0.068 0.000 0.988 125 S CB -0.221 63.028 63.200 0.081 0.000 0.838 125 S HN 0.345 nan 8.310 nan 0.000 0.462 126 M N 0.874 120.497 119.600 0.038 0.000 2.213 126 M HA -0.104 4.373 4.480 -0.004 0.000 0.263 126 M C 2.382 178.700 176.300 0.030 0.000 1.062 126 M CA 1.342 56.656 55.300 0.024 0.000 1.105 126 M CB -0.497 32.092 32.600 -0.017 0.000 1.385 126 M HN 0.397 nan 8.290 nan 0.000 0.417 127 A N 0.120 122.960 122.820 0.033 0.000 1.929 127 A HA -0.124 4.193 4.320 -0.004 0.000 0.216 127 A C 2.233 179.851 177.584 0.057 0.000 1.176 127 A CA 1.965 54.032 52.037 0.050 0.000 0.628 127 A CB -1.019 18.003 19.000 0.037 0.000 0.816 127 A HN 0.560 nan 8.150 nan 0.000 0.444 128 T N -3.676 110.912 114.554 0.056 0.000 3.023 128 T HA 0.023 4.371 4.350 -0.004 0.000 0.266 128 T C 1.382 176.115 174.700 0.055 0.000 1.093 128 T CA 1.378 63.520 62.100 0.070 0.000 1.129 128 T CB -0.106 68.819 68.868 0.096 0.000 0.899 128 T HN 0.026 nan 8.240 nan 0.000 0.491 129 V N 0.843 120.785 119.914 0.046 0.000 3.649 129 V HA 0.405 4.523 4.120 -0.004 0.000 0.275 129 V C 1.889 178.004 176.094 0.036 0.000 1.281 129 V CA 0.661 62.984 62.300 0.039 0.000 1.143 129 V CB -0.564 31.282 31.823 0.038 0.000 0.892 129 V HN 0.862 nan 8.190 nan 0.000 0.441 130 G N 1.173 109.996 108.800 0.037 0.000 2.147 130 G HA2 -0.307 3.651 3.960 -0.004 0.000 0.244 130 G HA3 -0.307 3.651 3.960 -0.004 0.000 0.244 130 G C 0.204 175.129 174.900 0.043 0.000 1.005 130 G CA 0.495 45.616 45.100 0.034 0.000 0.713 130 G HN 0.608 nan 8.290 nan 0.000 0.515 131 Q N 1.181 121.006 119.800 0.041 0.000 2.389 131 Q HA 0.584 4.922 4.340 -0.004 0.000 0.244 131 Q C 0.628 176.619 176.000 -0.015 0.000 1.056 131 Q CA 0.211 56.031 55.803 0.028 0.000 0.908 131 Q CB 0.611 29.379 28.738 0.050 0.000 1.273 131 Q HN 0.471 nan 8.270 nan 0.000 0.471 132 S N 3.148 118.857 115.700 0.015 0.000 2.673 132 S HA 0.417 4.885 4.470 -0.004 0.000 0.308 132 S C -0.678 173.721 174.600 -0.334 0.000 1.246 132 S CA 0.588 58.810 58.200 0.036 0.000 1.077 132 S CB -0.548 62.785 63.200 0.221 0.000 0.814 132 S HN 0.773 nan 8.310 nan 0.000 0.503 133 A N 4.349 126.948 122.820 -0.368 0.000 2.599 133 A HA 0.780 5.098 4.320 -0.004 0.000 0.290 133 A C -0.782 176.643 177.584 -0.265 0.000 1.101 133 A CA -0.809 50.838 52.037 -0.650 0.000 0.674 133 A CB 1.650 20.421 19.000 -0.380 0.000 1.277 133 A HN 0.648 nan 8.150 nan 0.000 0.419 134 T N 0.631 115.065 114.554 -0.201 0.000 3.011 134 T HA 0.594 4.942 4.350 -0.004 0.000 0.303 134 T C 0.048 174.599 174.700 -0.249 0.000 0.997 134 T CA 0.102 62.089 62.100 -0.188 0.000 1.007 134 T CB 1.502 70.262 68.868 -0.181 0.000 1.017 134 T HN 1.362 nan 8.240 nan 0.000 0.443 135 G N 1.662 110.302 108.800 -0.267 0.000 2.390 135 G HA2 0.523 4.480 3.960 -0.004 0.000 0.270 135 G HA3 0.523 4.480 3.960 -0.004 0.000 0.270 135 G C -1.367 173.318 174.900 -0.358 0.000 1.211 135 G CA -0.145 44.868 45.100 -0.145 0.000 0.842 135 G HN 0.608 nan 8.290 nan 0.000 0.519 136 Y N 1.158 121.565 120.300 0.179 0.000 2.338 136 Y HA 0.587 5.135 4.550 -0.004 0.000 0.328 136 Y C 0.750 176.866 175.900 0.360 0.000 0.965 136 Y CA -0.212 58.000 58.100 0.186 0.000 1.208 136 Y CB 2.198 40.839 38.460 0.301 0.000 1.132 136 Y HN 0.826 nan 8.280 nan 0.000 0.469 137 G N 2.243 111.244 108.800 0.336 0.000 3.021 137 G HA2 0.707 4.665 3.960 -0.004 0.000 0.290 137 G HA3 0.707 4.665 3.960 -0.004 0.000 0.290 137 G C -1.851 173.210 174.900 0.269 0.000 1.291 137 G CA -0.963 44.410 45.100 0.455 0.000 0.834 137 G HN 0.378 nan 8.290 nan 0.000 0.564 138 L N 0.706 121.983 121.223 0.090 0.000 2.346 138 L HA 0.379 4.716 4.340 -0.004 0.000 0.276 138 L C -0.535 176.106 176.870 -0.381 0.000 1.006 138 L CA -0.977 53.763 54.840 -0.167 0.000 0.817 138 L CB 2.092 43.880 42.059 -0.451 0.000 1.272 138 L HN 0.407 nan 8.230 nan 0.000 0.421 139 N N 2.575 121.193 118.700 -0.137 0.000 3.050 139 N HA 0.074 4.812 4.740 -0.004 0.000 0.289 139 N C -0.873 174.621 175.510 -0.026 0.000 1.209 139 N CA -0.174 52.871 53.050 -0.008 0.000 1.154 139 N CB -0.324 38.156 38.487 -0.012 0.000 1.444 139 N HN 0.197 nan 8.380 nan 0.000 0.529 140 Y N 0.493 120.927 120.300 0.223 0.000 2.620 140 Y HA -0.058 4.489 4.550 -0.003 0.000 0.330 140 Y C 1.890 177.939 175.900 0.250 0.000 1.186 140 Y CA 0.214 58.427 58.100 0.187 0.000 1.467 140 Y CB 0.597 39.146 38.460 0.148 0.000 1.262 140 Y HN 0.450 nan 8.280 nan 0.000 0.550 141 Q N 2.096 121.984 119.800 0.146 0.000 2.172 141 Q HA -0.119 4.218 4.340 -0.004 0.000 0.200 141 Q C 0.114 175.948 176.000 -0.276 0.000 0.964 141 Q CA 1.484 57.126 55.803 -0.269 0.000 0.855 141 Q CB 0.077 28.428 28.738 -0.645 0.000 0.918 141 Q HN 0.912 nan 8.270 nan 0.000 0.444 142 Y N -1.216 119.264 120.300 0.299 0.000 2.675 142 Y HA 0.324 4.872 4.550 -0.004 0.000 0.248 142 Y C 1.052 177.068 175.900 0.194 0.000 1.161 142 Y CA -0.447 57.800 58.100 0.245 0.000 1.203 142 Y CB 1.060 39.610 38.460 0.150 0.000 1.262 142 Y HN 0.271 nan 8.280 nan 0.000 0.544 143 G N 1.270 110.253 108.800 0.305 0.000 2.614 143 G HA2 -0.357 3.601 3.960 -0.004 0.000 0.303 143 G HA3 -0.357 3.601 3.960 -0.004 0.000 0.303 143 G C 0.851 175.712 174.900 -0.066 0.000 1.270 143 G CA 0.588 45.710 45.100 0.037 0.000 0.988 143 G HN 0.264 nan 8.290 nan 0.000 0.551 144 L N -0.489 120.658 121.223 -0.128 0.000 2.004 144 L HA 0.483 4.820 4.340 -0.004 0.000 0.205 144 L C 1.241 178.180 176.870 0.115 0.000 1.089 144 L CA 2.617 57.399 54.840 -0.096 0.000 0.756 144 L CB -0.452 41.438 42.059 -0.281 0.000 0.900 144 L HN 1.178 nan 8.230 nan 0.000 0.440 145 F N -2.436 117.525 119.950 0.018 0.000 2.804 145 F HA 0.322 4.847 4.527 -0.004 0.000 0.320 145 F C -0.650 175.155 175.800 0.008 0.000 1.135 145 F CA -1.420 56.592 58.000 0.019 0.000 0.947 145 F CB 0.405 39.407 39.000 0.004 0.000 1.260 145 F HN -0.122 nan 8.300 nan 0.000 0.447 146 R N 2.603 123.262 120.500 0.265 0.000 2.265 146 R HA 0.366 4.703 4.340 -0.004 0.000 0.314 146 R C -0.738 175.727 176.300 0.275 0.000 1.053 146 R CA -0.398 55.787 56.100 0.143 0.000 0.931 146 R CB 1.252 31.608 30.300 0.093 0.000 1.024 146 R HN 0.933 nan 8.270 nan 0.000 0.457 147 Q N 2.597 122.489 119.800 0.154 0.000 2.230 147 Q HA 0.315 4.652 4.340 -0.004 0.000 0.253 147 Q C -1.328 174.554 176.000 -0.196 0.000 0.919 147 Q CA -0.418 55.450 55.803 0.108 0.000 0.908 147 Q CB 1.417 30.216 28.738 0.102 0.000 1.245 147 Q HN 0.810 nan 8.270 nan 0.000 0.437 148 S N 2.412 117.913 115.700 -0.330 0.000 2.596 148 S HA 0.639 5.107 4.470 -0.004 0.000 0.270 148 S C -1.205 173.085 174.600 -0.516 0.000 1.155 148 S CA -0.839 57.094 58.200 -0.444 0.000 0.827 148 S CB 0.831 63.925 63.200 -0.177 0.000 1.130 148 S HN 0.480 nan 8.310 nan 0.000 0.467 149 F N 0.601 120.514 119.950 -0.062 0.000 2.458 149 F HA 0.713 5.238 4.527 -0.004 0.000 0.336 149 F C -0.474 175.295 175.800 -0.051 0.000 1.114 149 F CA -1.025 56.923 58.000 -0.086 0.000 0.987 149 F CB 2.290 41.215 39.000 -0.125 0.000 1.130 149 F HN 0.401 nan 8.300 nan 0.000 0.458 150 V N 2.828 122.826 119.914 0.141 0.000 2.447 150 V HA 0.238 4.355 4.120 -0.004 0.000 0.292 150 V C -0.674 175.455 176.094 0.058 0.000 1.021 150 V CA -1.004 61.336 62.300 0.066 0.000 0.850 150 V CB 1.282 33.115 31.823 0.016 0.000 1.005 150 V HN 0.891 nan 8.190 nan 0.000 0.426 151 D N 4.060 124.503 120.400 0.071 0.000 2.945 151 D HA -0.193 4.445 4.640 -0.004 0.000 0.225 151 D C 1.304 177.700 176.300 0.161 0.000 1.158 151 D CA 1.629 55.683 54.000 0.090 0.000 0.805 151 D CB -1.160 39.670 40.800 0.050 0.000 1.098 151 D HN 1.431 nan 8.370 nan 0.000 0.426 152 G N -0.564 108.311 108.800 0.126 0.000 2.179 152 G HA2 -0.361 3.597 3.960 -0.004 0.000 0.260 152 G HA3 -0.361 3.597 3.960 -0.004 0.000 0.260 152 G C 0.278 175.255 174.900 0.130 0.000 0.977 152 G CA 0.856 46.020 45.100 0.106 0.000 0.641 152 G HN 0.477 nan 8.290 nan 0.000 0.533 153 K N 0.329 120.781 120.400 0.088 0.000 2.123 153 K HA 0.474 4.792 4.320 -0.004 0.000 0.259 153 K C 0.378 177.062 176.600 0.138 0.000 0.960 153 K CA -0.667 55.627 56.287 0.013 0.000 0.872 153 K CB 1.495 33.875 32.500 -0.200 0.000 1.079 153 K HN 0.300 nan 8.250 nan 0.000 0.440 154 Q N 1.994 121.869 119.800 0.125 0.000 2.311 154 Q HA 0.141 4.479 4.340 -0.004 0.000 0.272 154 Q C -1.165 174.812 176.000 -0.039 0.000 1.012 154 Q CA -0.160 55.712 55.803 0.115 0.000 0.891 154 Q CB 0.747 29.533 28.738 0.080 0.000 1.201 154 Q HN 0.276 nan 8.270 nan 0.000 0.391 155 V N 4.487 124.349 119.914 -0.087 0.000 2.540 155 V HA 0.281 4.399 4.120 -0.004 0.000 0.302 155 V C -1.073 174.907 176.094 -0.191 0.000 1.035 155 V CA -0.716 61.508 62.300 -0.127 0.000 0.873 155 V CB 1.961 33.735 31.823 -0.082 0.000 0.992 155 V HN 0.862 nan 8.190 nan 0.000 0.428 156 E N 3.356 123.379 120.200 -0.294 0.000 2.113 156 E HA 0.733 5.081 4.350 -0.004 0.000 0.273 156 E C -0.278 176.242 176.600 -0.133 0.000 0.924 156 E CA -0.178 55.981 56.400 -0.401 0.000 0.764 156 E CB 1.885 31.023 29.700 -0.935 0.000 1.104 156 E HN 0.842 nan 8.360 nan 0.000 0.406 157 A N 4.064 126.899 122.820 0.025 0.000 2.350 157 A HA 0.736 5.054 4.320 -0.004 0.000 0.318 157 A C -2.541 175.085 177.584 0.069 0.000 1.132 157 A CA -2.084 49.963 52.037 0.017 0.000 0.811 157 A CB 0.798 19.804 19.000 0.011 0.000 1.313 157 A HN 0.380 nan 8.150 nan 0.000 0.454 158 P HA 0.111 nan 4.420 nan 0.000 0.267 158 P C -0.944 176.431 177.300 0.125 0.000 1.205 158 P CA 0.270 63.339 63.100 -0.052 0.000 0.765 158 P CB 0.445 31.860 31.700 -0.474 0.000 0.828 159 D N 2.633 123.179 120.400 0.242 0.000 2.619 159 D HA 0.008 4.646 4.640 -0.004 0.000 0.224 159 D C -0.440 176.081 176.300 0.368 0.000 1.133 159 D CA -0.068 54.068 54.000 0.227 0.000 1.017 159 D CB -0.687 40.194 40.800 0.134 0.000 1.077 159 D HN 0.164 nan 8.370 nan 0.000 0.503 160 D N 2.292 122.889 120.400 0.329 0.000 2.371 160 D HA -0.042 4.595 4.640 -0.004 0.000 0.256 160 D C 0.476 176.817 176.300 0.070 0.000 1.193 160 D CA -0.251 53.895 54.000 0.243 0.000 0.881 160 D CB 0.422 41.320 40.800 0.164 0.000 1.143 160 D HN 0.512 nan 8.370 nan 0.000 0.473 161 W N 4.776 125.958 121.300 -0.196 0.000 2.407 161 W HA 0.165 4.823 4.660 -0.004 0.000 0.370 161 W C -0.495 175.969 176.519 -0.092 0.000 0.928 161 W CA -0.466 56.769 57.345 -0.184 0.000 2.005 161 W CB -1.177 28.246 29.460 -0.062 0.000 1.171 161 W HN 0.445 nan 8.180 nan 0.000 0.572 162 H N 1.294 120.252 119.070 -0.186 0.000 2.677 162 H HA -0.220 4.334 4.556 -0.004 0.000 0.321 162 H C 1.926 176.985 175.328 -0.449 0.000 1.171 162 H CA 1.364 57.291 56.048 -0.202 0.000 1.139 162 H CB -1.533 28.260 29.762 0.051 0.000 1.515 162 H HN 0.347 nan 8.280 nan 0.000 0.423 163 R N 1.323 121.187 120.500 -1.061 0.000 2.094 163 R HA -0.189 4.149 4.340 -0.004 0.000 0.239 163 R C 2.049 178.060 176.300 -0.483 0.000 1.137 163 R CA 2.456 57.741 56.100 -1.357 0.000 0.943 163 R CB -0.269 29.181 30.300 -1.416 0.000 0.850 163 R HN 0.462 nan 8.270 nan 0.000 0.433 164 S N 0.128 115.565 115.700 -0.439 0.000 2.469 164 S HA -0.029 4.439 4.470 -0.004 0.000 0.238 164 S C 1.115 175.693 174.600 -0.036 0.000 0.998 164 S CA 1.024 59.014 58.200 -0.350 0.000 0.957 164 S CB -0.123 62.890 63.200 -0.311 0.000 0.764 164 S HN 0.421 nan 8.310 nan 0.000 0.514 165 N N -0.055 118.681 118.700 0.060 0.000 2.203 165 N HA 0.152 4.890 4.740 -0.004 0.000 0.207 165 N C -0.612 175.051 175.510 0.256 0.000 1.130 165 N CA -0.210 52.929 53.050 0.148 0.000 0.861 165 N CB -0.031 38.519 38.487 0.105 0.000 1.005 165 N HN 0.545 nan 8.380 nan 0.000 0.507 166 Y N 4.562 125.015 120.300 0.254 0.000 2.729 166 Y HA 0.012 4.560 4.550 -0.004 0.000 0.331 166 Y C -0.884 175.169 175.900 0.255 0.000 1.208 166 Y CA -1.100 57.205 58.100 0.342 0.000 1.521 166 Y CB 0.949 39.631 38.460 0.370 0.000 1.233 166 Y HN 0.083 nan 8.280 nan 0.000 0.539 167 P HA -0.218 nan 4.420 nan 0.000 0.219 167 P C 0.383 177.372 177.300 -0.519 0.000 1.146 167 P CA 1.738 64.520 63.100 -0.530 0.000 0.808 167 P CB -0.026 31.143 31.700 -0.884 0.000 0.779 168 W N -1.413 119.688 121.300 -0.331 0.000 3.290 168 W HA 0.291 4.949 4.660 -0.004 0.000 0.287 168 W C 1.095 177.679 176.519 0.108 0.000 1.288 168 W CA -0.632 56.661 57.345 -0.086 0.000 1.725 168 W CB -0.622 28.810 29.460 -0.046 0.000 1.103 168 W HN -0.221 nan 8.180 nan 0.000 0.670 169 F N 1.320 121.508 119.950 0.397 0.000 2.440 169 F HA 0.268 4.792 4.527 -0.004 0.000 0.323 169 F C 1.072 177.002 175.800 0.215 0.000 1.192 169 F CA -0.070 58.168 58.000 0.397 0.000 1.252 169 F CB 0.562 39.906 39.000 0.574 0.000 1.214 169 F HN -0.349 nan 8.300 nan 0.000 0.578 170 R N 1.931 122.693 120.500 0.436 0.000 2.566 170 R HA 0.219 4.557 4.340 -0.004 0.000 0.271 170 R C -1.906 174.317 176.300 -0.130 0.000 1.071 170 R CA -0.663 55.497 56.100 0.099 0.000 0.915 170 R CB 1.514 31.852 30.300 0.064 0.000 1.228 170 R HN 0.820 nan 8.270 nan 0.000 0.449 171 H N 3.864 122.660 119.070 -0.456 0.000 2.924 171 H HA 0.214 4.768 4.556 -0.003 0.000 0.333 171 H C -1.669 173.391 175.328 -0.447 0.000 0.979 171 H CA -0.507 55.091 56.048 -0.750 0.000 1.326 171 H CB 1.617 30.483 29.762 -1.494 0.000 1.600 171 H HN 0.750 nan 8.280 nan 0.000 0.520 172 N N 4.546 122.796 118.700 -0.750 0.000 2.501 172 N HA 0.001 4.739 4.740 -0.004 0.000 0.245 172 N C 1.207 176.288 175.510 -0.714 0.000 0.974 172 N CA -0.281 52.410 53.050 -0.597 0.000 0.941 172 N CB 0.991 39.288 38.487 -0.315 0.000 1.122 172 N HN 0.798 nan 8.380 nan 0.000 0.507 173 E N 3.252 122.997 120.200 -0.758 0.000 2.219 173 E HA -0.259 4.089 4.350 -0.004 0.000 0.198 173 E C 1.413 177.904 176.600 -0.181 0.000 0.998 173 E CA 1.381 57.531 56.400 -0.416 0.000 0.818 173 E CB -0.096 29.474 29.700 -0.216 0.000 0.741 173 E HN 0.604 nan 8.360 nan 0.000 0.477 174 A N 1.424 124.139 122.820 -0.174 0.000 2.070 174 A HA -0.044 4.274 4.320 -0.004 0.000 0.220 174 A C 2.122 179.681 177.584 -0.043 0.000 1.159 174 A CA 0.907 52.890 52.037 -0.090 0.000 0.656 174 A CB -0.443 18.504 19.000 -0.088 0.000 0.800 174 A HN 0.335 nan 8.150 nan 0.000 0.453 175 L N 0.009 121.204 121.223 -0.047 0.000 2.611 175 L HA 0.080 4.418 4.340 -0.004 0.000 0.229 175 L C -0.362 176.621 176.870 0.188 0.000 1.137 175 L CA -0.508 54.368 54.840 0.061 0.000 0.901 175 L CB -0.449 41.629 42.059 0.032 0.000 1.098 175 L HN 0.158 nan 8.230 nan 0.000 0.456 176 D N 0.730 121.211 120.400 0.135 0.000 2.400 176 D HA 0.191 4.829 4.640 -0.004 0.000 0.238 176 D C -0.118 176.249 176.300 0.112 0.000 1.157 176 D CA 0.432 54.546 54.000 0.189 0.000 0.889 176 D CB 2.135 43.014 40.800 0.131 0.000 1.199 176 D HN -0.201 nan 8.370 nan 0.000 0.436 177 V N 1.331 121.284 119.914 0.065 0.000 2.808 177 V HA 0.231 4.349 4.120 -0.004 0.000 0.308 177 V C -1.489 174.578 176.094 -0.045 0.000 1.099 177 V CA -0.800 61.470 62.300 -0.050 0.000 0.920 177 V CB 2.039 33.736 31.823 -0.210 0.000 1.014 177 V HN 0.295 nan 8.190 nan 0.000 0.425 178 Q N 4.227 123.998 119.800 -0.048 0.000 2.294 178 Q HA 0.492 4.829 4.340 -0.004 0.000 0.257 178 Q C -0.783 175.199 176.000 -0.030 0.000 0.955 178 Q CA -0.140 55.639 55.803 -0.040 0.000 0.936 178 Q CB 1.695 30.398 28.738 -0.058 0.000 1.188 178 Q HN 0.645 nan 8.270 nan 0.000 0.420 179 V N 2.110 122.036 119.914 0.020 0.000 2.350 179 V HA 0.526 4.644 4.120 -0.004 0.000 0.285 179 V C 0.514 176.701 176.094 0.154 0.000 1.014 179 V CA -0.841 61.512 62.300 0.089 0.000 0.831 179 V CB 1.598 33.499 31.823 0.130 0.000 1.000 179 V HN 0.817 nan 8.190 nan 0.000 0.433 180 G N 3.843 112.731 108.800 0.146 0.000 2.476 180 G HA2 0.746 4.704 3.960 -0.004 0.000 0.286 180 G HA3 0.746 4.704 3.960 -0.004 0.000 0.286 180 G C -0.946 174.187 174.900 0.389 0.000 1.177 180 G CA -0.359 44.773 45.100 0.054 0.000 0.870 180 G HN 0.687 nan 8.290 nan 0.000 0.528 181 I N -0.387 120.404 120.570 0.369 0.000 2.918 181 I HA 0.600 4.768 4.170 -0.004 0.000 0.301 181 I C 0.684 177.040 176.117 0.399 0.000 1.312 181 I CA 0.477 62.066 61.300 0.482 0.000 1.007 181 I CB 1.862 40.121 38.000 0.432 0.000 1.281 181 I HN 1.277 nan 8.210 nan 0.000 0.440 182 G N 3.597 112.608 108.800 0.352 0.000 2.552 182 G HA2 0.215 4.172 3.960 -0.004 0.000 0.265 182 G HA3 0.215 4.172 3.960 -0.004 0.000 0.265 182 G C 0.622 175.748 174.900 0.377 0.000 1.234 182 G CA 0.062 45.322 45.100 0.268 0.000 0.944 182 G HN 2.308 nan 8.290 nan 0.000 0.568 183 G N -2.170 106.776 108.800 0.244 0.000 2.512 183 G HA2 0.447 4.405 3.960 -0.004 0.000 0.254 183 G HA3 0.447 4.405 3.960 -0.004 0.000 0.254 183 G C 0.369 175.420 174.900 0.253 0.000 1.199 183 G CA 2.245 47.483 45.100 0.229 0.000 0.941 183 G HN 3.131 nan 8.290 nan 0.000 0.569 184 K N -2.345 118.237 120.400 0.303 0.000 2.578 184 K HA 0.852 5.170 4.320 -0.004 0.000 0.287 184 K C -0.733 176.059 176.600 0.320 0.000 1.010 184 K CA 0.174 56.609 56.287 0.247 0.000 0.889 184 K CB 1.340 33.923 32.500 0.139 0.000 1.514 184 K HN 1.873 nan 8.250 nan 0.000 0.424 185 V N 2.772 122.802 119.914 0.193 0.000 2.370 185 V HA 0.507 4.625 4.120 -0.004 0.000 0.283 185 V C 1.059 177.221 176.094 0.114 0.000 1.023 185 V CA -0.148 62.255 62.300 0.172 0.000 0.857 185 V CB 1.030 32.903 31.823 0.083 0.000 0.985 185 V HN 1.146 nan 8.190 nan 0.000 0.443 186 T N 1.979 116.599 114.554 0.109 0.000 2.734 186 T HA 0.097 4.445 4.350 -0.004 0.000 0.314 186 T C 1.263 175.997 174.700 0.057 0.000 1.057 186 T CA 0.057 62.201 62.100 0.073 0.000 1.047 186 T CB 0.411 69.317 68.868 0.063 0.000 0.991 186 T HN 0.801 nan 8.240 nan 0.000 0.540 187 K N 0.792 121.218 120.400 0.044 0.000 2.103 187 K HA -0.155 4.163 4.320 -0.004 0.000 0.207 187 K C 1.219 177.839 176.600 0.035 0.000 1.048 187 K CA 1.709 58.017 56.287 0.035 0.000 0.930 187 K CB -0.467 32.050 32.500 0.028 0.000 0.716 187 K HN 0.790 nan 8.250 nan 0.000 0.444 188 D N 0.091 120.513 120.400 0.038 0.000 2.413 188 D HA 0.078 4.715 4.640 -0.004 0.000 0.237 188 D C 0.824 177.152 176.300 0.047 0.000 1.171 188 D CA 0.390 54.413 54.000 0.038 0.000 0.839 188 D CB 0.077 40.897 40.800 0.034 0.000 0.950 188 D HN 0.458 nan 8.370 nan 0.000 0.499 189 G N 1.351 110.183 108.800 0.053 0.000 2.153 189 G HA2 -0.358 3.600 3.960 -0.004 0.000 0.252 189 G HA3 -0.358 3.600 3.960 -0.004 0.000 0.252 189 G C 0.238 175.191 174.900 0.088 0.000 0.994 189 G CA 0.166 45.303 45.100 0.063 0.000 0.698 189 G HN 0.598 nan 8.290 nan 0.000 0.521 190 R N -0.625 119.933 120.500 0.096 0.000 2.297 190 R HA 0.445 4.783 4.340 -0.004 0.000 0.308 190 R C -0.205 176.214 176.300 0.198 0.000 1.029 190 R CA -1.009 55.164 56.100 0.121 0.000 0.929 190 R CB 0.349 30.695 30.300 0.077 0.000 1.046 190 R HN 0.195 nan 8.270 nan 0.000 0.461 191 W N 4.954 126.261 121.300 0.010 0.000 2.335 191 W HA 0.194 4.852 4.660 -0.003 0.000 0.306 191 W C -1.022 175.512 176.519 0.025 0.000 1.216 191 W CA -0.852 56.503 57.345 0.016 0.000 1.237 191 W CB 0.717 30.183 29.460 0.010 0.000 1.243 191 W HN 0.584 nan 8.180 nan 0.000 0.493 192 E N 8.868 129.082 120.200 0.023 0.000 2.256 192 E HA 0.206 4.554 4.350 -0.004 0.000 0.243 192 E C -2.098 174.347 176.600 -0.258 0.000 0.925 192 E CA -1.922 54.366 56.400 -0.186 0.000 0.748 192 E CB 1.167 30.852 29.700 -0.025 0.000 1.206 192 E HN 0.181 nan 8.360 nan 0.000 0.428 193 P HA -0.032 nan 4.420 nan 0.000 0.272 193 P C -0.014 177.250 177.300 -0.060 0.000 1.240 193 P CA 0.058 62.979 63.100 -0.297 0.000 0.791 193 P CB 0.948 32.305 31.700 -0.572 0.000 0.978 194 E N 0.110 120.365 120.200 0.091 0.000 2.431 194 E HA 0.130 4.478 4.350 -0.004 0.000 0.200 194 E C -0.288 176.449 176.600 0.227 0.000 0.995 194 E CA 0.007 56.483 56.400 0.125 0.000 0.915 194 E CB 0.141 29.922 29.700 0.136 0.000 0.930 194 E HN 0.299 nan 8.360 nan 0.000 0.496 195 F N 1.351 121.330 119.950 0.050 0.000 2.565 195 F HA 0.444 4.969 4.527 -0.003 0.000 0.313 195 F C -1.274 174.585 175.800 0.098 0.000 1.091 195 F CA -0.637 57.419 58.000 0.092 0.000 0.915 195 F CB 2.615 41.675 39.000 0.100 0.000 1.208 195 F HN -0.305 nan 8.300 nan 0.000 0.453 196 T N 6.797 121.124 114.554 -0.378 0.000 2.809 196 T HA 0.578 4.925 4.350 -0.004 0.000 0.284 196 T C -0.451 174.016 174.700 -0.389 0.000 0.992 196 T CA -0.361 61.580 62.100 -0.264 0.000 0.957 196 T CB 0.773 69.514 68.868 -0.212 0.000 0.942 196 T HN 0.353 nan 8.240 nan 0.000 0.439 197 I N 2.722 123.214 120.570 -0.131 0.000 2.359 197 I HA 0.398 4.566 4.170 -0.004 0.000 0.294 197 I C 0.709 176.824 176.117 -0.002 0.000 0.987 197 I CA -0.758 60.506 61.300 -0.060 0.000 1.225 197 I CB 1.788 39.829 38.000 0.068 0.000 1.366 197 I HN 0.487 nan 8.210 nan 0.000 0.466 198 T N 4.395 118.932 114.554 -0.028 0.000 2.743 198 T HA 0.556 4.904 4.350 -0.004 0.000 0.292 198 T C 0.031 174.852 174.700 0.201 0.000 0.972 198 T CA -0.574 61.554 62.100 0.046 0.000 0.967 198 T CB 0.659 69.507 68.868 -0.033 0.000 0.926 198 T HN 0.776 nan 8.240 nan 0.000 0.459 199 G N 3.985 112.979 108.800 0.324 0.000 2.338 199 G HA2 0.518 4.476 3.960 -0.004 0.000 0.298 199 G HA3 0.518 4.476 3.960 -0.004 0.000 0.298 199 G C -0.639 174.562 174.900 0.502 0.000 1.140 199 G CA -0.617 44.812 45.100 0.548 0.000 0.860 199 G HN 0.801 nan 8.290 nan 0.000 0.470 200 Q N 0.217 120.357 119.800 0.567 0.000 2.274 200 Q HA 0.569 4.907 4.340 -0.004 0.000 0.260 200 Q C -0.225 176.045 176.000 0.449 0.000 0.974 200 Q CA -0.764 55.315 55.803 0.460 0.000 0.876 200 Q CB 2.483 31.373 28.738 0.252 0.000 1.297 200 Q HN 0.632 nan 8.270 nan 0.000 0.446 201 A N 2.394 125.303 122.820 0.148 0.000 2.279 201 A HA 0.375 4.693 4.320 -0.004 0.000 0.306 201 A C -1.501 175.892 177.584 -0.318 0.000 1.300 201 A CA -0.364 51.467 52.037 -0.343 0.000 0.925 201 A CB -0.038 18.665 19.000 -0.496 0.000 1.152 201 A HN 0.674 nan 8.150 nan 0.000 0.544 202 W N 2.305 123.450 121.300 -0.257 0.000 2.294 202 W HA 0.399 5.057 4.660 -0.003 0.000 0.314 202 W C -0.869 175.643 176.519 -0.012 0.000 1.044 202 W CA -0.279 56.908 57.345 -0.263 0.000 1.284 202 W CB 1.421 30.461 29.460 -0.700 0.000 1.231 202 W HN 0.554 nan 8.180 nan 0.000 0.419 203 D N 3.228 123.752 120.400 0.206 0.000 2.198 203 D HA 0.343 4.981 4.640 -0.004 0.000 0.245 203 D C -0.739 175.775 176.300 0.356 0.000 1.079 203 D CA -0.419 53.688 54.000 0.178 0.000 0.854 203 D CB 1.893 42.690 40.800 -0.005 0.000 1.148 203 D HN -0.007 nan 8.370 nan 0.000 0.456 204 L N 4.075 125.403 121.223 0.176 0.000 2.329 204 L HA 0.433 4.771 4.340 -0.004 0.000 0.279 204 L C -2.302 174.569 176.870 0.002 0.000 1.014 204 L CA -2.300 52.594 54.840 0.090 0.000 0.814 204 L CB 1.741 43.781 42.059 -0.033 0.000 1.257 204 L HN 0.133 nan 8.230 nan 0.000 0.424 205 P HA 0.196 nan 4.420 nan 0.000 0.286 205 P C -0.965 176.259 177.300 -0.127 0.000 1.269 205 P CA -0.346 62.721 63.100 -0.057 0.000 0.787 205 P CB 1.515 33.218 31.700 0.006 0.000 0.920 206 V N 5.139 124.980 119.914 -0.122 0.000 2.318 206 V HA 0.126 4.244 4.120 -0.004 0.000 0.271 206 V C 0.699 176.739 176.094 -0.090 0.000 1.030 206 V CA -0.700 61.533 62.300 -0.111 0.000 0.844 206 V CB 1.366 33.138 31.823 -0.084 0.000 1.015 206 V HN 0.432 nan 8.190 nan 0.000 0.460 207 V N 5.883 125.728 119.914 -0.114 0.000 2.432 207 V HA 0.827 4.945 4.120 -0.004 0.000 0.275 207 V C 0.805 176.872 176.094 -0.045 0.000 1.043 207 V CA 0.121 62.369 62.300 -0.088 0.000 0.925 207 V CB 1.099 32.828 31.823 -0.156 0.000 0.985 207 V HN 0.827 nan 8.190 nan 0.000 0.466 208 G N 4.496 113.296 108.800 -0.000 0.000 2.572 208 G HA2 0.240 4.198 3.960 -0.004 0.000 0.261 208 G HA3 0.240 4.198 3.960 -0.004 0.000 0.261 208 G C -0.887 174.040 174.900 0.044 0.000 1.197 208 G CA -0.493 44.627 45.100 0.035 0.000 0.870 208 G HN 0.939 nan 8.290 nan 0.000 0.548 209 Y N 1.754 122.014 120.300 -0.067 0.000 2.587 209 Y HA 0.197 4.745 4.550 -0.004 0.000 0.344 209 Y C 1.382 177.234 175.900 -0.080 0.000 1.061 209 Y CA -0.476 57.571 58.100 -0.087 0.000 1.370 209 Y CB 0.250 38.655 38.460 -0.091 0.000 1.163 209 Y HN 0.615 nan 8.280 nan 0.000 0.527 210 R N 2.571 122.781 120.500 -0.483 0.000 3.826 210 R HA -0.286 4.052 4.340 -0.004 0.000 0.295 210 R C 0.042 176.212 176.300 -0.216 0.000 1.200 210 R CA 1.181 57.023 56.100 -0.430 0.000 0.818 210 R CB -2.435 27.460 30.300 -0.675 0.000 1.216 210 R HN 0.848 nan 8.270 nan 0.000 0.513 211 N N -1.510 117.112 118.700 -0.130 0.000 2.171 211 N HA 0.116 4.853 4.740 -0.004 0.000 0.212 211 N C 1.043 176.513 175.510 -0.067 0.000 1.184 211 N CA 0.614 53.616 53.050 -0.080 0.000 0.888 211 N CB 0.503 38.963 38.487 -0.044 0.000 1.038 211 N HN 0.300 nan 8.380 nan 0.000 0.517 212 G N -0.053 108.711 108.800 -0.060 0.000 2.168 212 G HA2 -0.274 3.684 3.960 -0.004 0.000 0.263 212 G HA3 -0.274 3.684 3.960 -0.004 0.000 0.263 212 G C -0.251 174.684 174.900 0.058 0.000 0.977 212 G CA 0.555 45.641 45.100 -0.023 0.000 0.659 212 G HN 0.314 nan 8.290 nan 0.000 0.533 213 V N 0.635 120.597 119.914 0.079 0.000 2.583 213 V HA 0.678 4.796 4.120 -0.004 0.000 0.287 213 V C 0.632 176.932 176.094 0.343 0.000 1.051 213 V CA 0.412 62.894 62.300 0.302 0.000 1.010 213 V CB 1.509 33.440 31.823 0.180 0.000 0.988 213 V HN 1.415 nan 8.190 nan 0.000 0.478 214 A N 5.247 128.347 122.820 0.467 0.000 2.442 214 A HA 0.730 5.047 4.320 -0.004 0.000 0.284 214 A C -0.787 176.599 177.584 -0.331 0.000 1.058 214 A CA -0.658 51.363 52.037 -0.028 0.000 0.738 214 A CB 1.256 20.217 19.000 -0.065 0.000 1.242 214 A HN 0.770 nan 8.150 nan 0.000 0.421 215 Q N 2.886 122.578 119.800 -0.181 0.000 2.413 215 Q HA 0.578 4.916 4.340 -0.004 0.000 0.276 215 Q C -2.732 173.166 176.000 -0.169 0.000 1.099 215 Q CA -2.225 53.458 55.803 -0.199 0.000 0.814 215 Q CB 3.145 31.831 28.738 -0.087 0.000 1.379 215 Q HN 0.571 nan 8.270 nan 0.000 0.436 216 P HA 0.041 nan 4.420 nan 0.000 0.277 216 P C -0.318 176.841 177.300 -0.234 0.000 1.240 216 P CA -0.306 62.683 63.100 -0.185 0.000 0.798 216 P CB 1.074 32.656 31.700 -0.197 0.000 0.979 217 L N 2.203 123.282 121.223 -0.240 0.000 2.640 217 L HA 0.328 4.666 4.340 -0.004 0.000 0.230 217 L C 0.778 177.392 176.870 -0.427 0.000 1.123 217 L CA -0.275 54.346 54.840 -0.367 0.000 0.900 217 L CB -1.322 40.536 42.059 -0.334 0.000 1.146 217 L HN 0.296 nan 8.230 nan 0.000 0.484 218 R N 0.877 121.162 120.500 -0.358 0.000 2.229 218 R HA -0.201 4.137 4.340 -0.004 0.000 0.253 218 R C -1.329 174.713 176.300 -0.429 0.000 0.950 218 R CA 0.732 56.567 56.100 -0.442 0.000 0.872 218 R CB -1.261 28.676 30.300 -0.604 0.000 2.325 218 R HN 0.454 nan 8.270 nan 0.000 0.531 219 L N 5.473 126.546 121.223 -0.250 0.000 2.280 219 L HA 0.400 4.738 4.340 -0.004 0.000 0.287 219 L C -0.018 176.802 176.870 -0.083 0.000 1.023 219 L CA -0.761 54.019 54.840 -0.101 0.000 0.819 219 L CB 0.964 43.095 42.059 0.120 0.000 1.212 219 L HN 0.426 nan 8.230 nan 0.000 0.420 220 W N 2.893 124.278 121.300 0.142 0.000 2.238 220 W HA 0.393 5.050 4.660 -0.004 0.000 0.321 220 W C 0.350 177.039 176.519 0.283 0.000 1.293 220 W CA -0.112 57.340 57.345 0.179 0.000 1.204 220 W CB 0.601 30.039 29.460 -0.037 0.000 1.167 220 W HN 0.429 nan 8.180 nan 0.000 0.553 221 Q N 2.165 122.323 119.800 0.596 0.000 2.333 221 Q HA 0.658 4.995 4.340 -0.004 0.000 0.267 221 Q C -0.724 175.508 176.000 0.386 0.000 1.012 221 Q CA -0.739 55.268 55.803 0.339 0.000 0.824 221 Q CB 1.644 30.428 28.738 0.076 0.000 1.290 221 Q HN 0.601 nan 8.270 nan 0.000 0.449 222 A N 2.513 125.365 122.820 0.054 0.000 2.301 222 A HA 0.669 4.987 4.320 -0.004 0.000 0.298 222 A C -0.207 177.338 177.584 -0.066 0.000 1.185 222 A CA 0.035 51.912 52.037 -0.267 0.000 0.830 222 A CB 0.711 19.234 19.000 -0.795 0.000 1.112 222 A HN 0.788 nan 8.150 nan 0.000 0.508 223 T N -0.292 114.260 114.554 -0.002 0.000 2.812 223 T HA 0.664 5.012 4.350 -0.004 0.000 0.294 223 T C -0.864 173.872 174.700 0.062 0.000 1.159 223 T CA -0.556 61.571 62.100 0.045 0.000 1.008 223 T CB 1.313 70.215 68.868 0.057 0.000 1.289 223 T HN 0.842 nan 8.240 nan 0.000 0.514 224 H N -1.210 117.858 119.070 -0.003 0.000 2.768 224 H HA 0.737 5.291 4.556 -0.003 0.000 0.371 224 H C 0.869 176.169 175.328 -0.046 0.000 1.151 224 H CA -0.019 56.009 56.048 -0.032 0.000 1.165 224 H CB 2.069 31.835 29.762 0.007 0.000 1.722 224 H HN 0.864 nan 8.280 nan 0.000 0.543 225 A N 2.289 124.857 122.820 -0.420 0.000 2.066 225 A HA -0.038 4.280 4.320 -0.004 0.000 0.218 225 A C -0.020 177.273 177.584 -0.485 0.000 1.157 225 A CA 1.107 52.927 52.037 -0.362 0.000 0.670 225 A CB -0.238 18.544 19.000 -0.365 0.000 0.804 225 A HN 0.775 nan 8.150 nan 0.000 0.453 226 H N -1.512 117.753 119.070 0.325 0.000 2.439 226 H HA 0.226 4.779 4.556 -0.004 0.000 0.228 226 H C -2.126 173.380 175.328 0.295 0.000 1.423 226 H CA -1.193 55.031 56.048 0.293 0.000 1.386 226 H CB 0.648 30.539 29.762 0.216 0.000 1.641 226 H HN 0.243 nan 8.280 nan 0.000 0.508 227 P HA -0.154 nan 4.420 nan 0.000 0.223 227 P C -0.002 177.448 177.300 0.250 0.000 1.151 227 P CA 0.821 64.054 63.100 0.221 0.000 0.787 227 P CB 0.539 32.356 31.700 0.194 0.000 0.788 228 F N 1.302 121.307 119.950 0.091 0.000 2.444 228 F HA 0.445 4.969 4.527 -0.004 0.000 0.342 228 F C -0.424 175.430 175.800 0.090 0.000 1.121 228 F CA -1.245 56.800 58.000 0.074 0.000 0.997 228 F CB 1.140 40.156 39.000 0.026 0.000 1.130 228 F HN -0.345 nan 8.300 nan 0.000 0.454 229 D N 6.382 126.513 120.400 -0.448 0.000 2.454 229 D HA 0.099 4.737 4.640 -0.004 0.000 0.225 229 D C 0.712 176.672 176.300 -0.567 0.000 1.081 229 D CA -0.256 53.548 54.000 -0.326 0.000 0.864 229 D CB 1.262 41.957 40.800 -0.174 0.000 1.040 229 D HN 0.669 nan 8.370 nan 0.000 0.517 230 L N 3.917 124.950 121.223 -0.316 0.000 2.131 230 L HA -0.104 4.234 4.340 -0.004 0.000 0.210 230 L C 1.887 178.761 176.870 0.008 0.000 1.092 230 L CA 1.858 56.637 54.840 -0.102 0.000 0.759 230 L CB -0.623 41.521 42.059 0.142 0.000 0.903 230 L HN 0.378 nan 8.230 nan 0.000 0.435 231 T N -0.294 114.249 114.554 -0.018 0.000 2.652 231 T HA -0.228 4.120 4.350 -0.004 0.000 0.267 231 T C 1.857 176.549 174.700 -0.013 0.000 1.039 231 T CA 1.947 64.048 62.100 0.001 0.000 1.153 231 T CB -0.198 68.662 68.868 -0.014 0.000 0.863 231 T HN 0.379 nan 8.240 nan 0.000 0.428 232 K N 0.129 120.494 120.400 -0.058 0.000 2.057 232 K HA -0.041 4.277 4.320 -0.004 0.000 0.207 232 K C 2.043 178.607 176.600 -0.060 0.000 1.049 232 K CA 1.178 57.419 56.287 -0.078 0.000 0.931 232 K CB -0.372 32.069 32.500 -0.098 0.000 0.714 232 K HN 0.260 nan 8.250 nan 0.000 0.440 233 F N 2.646 122.513 119.950 -0.139 0.000 2.102 233 F HA -0.179 4.346 4.527 -0.003 0.000 0.298 233 F C 1.876 177.755 175.800 0.133 0.000 1.105 233 F CA 1.415 59.448 58.000 0.055 0.000 1.239 233 F CB -0.111 38.954 39.000 0.109 0.000 0.991 233 F HN 0.018 nan 8.300 nan 0.000 0.474 234 N N 0.353 119.217 118.700 0.274 0.000 2.453 234 N HA -0.136 4.601 4.740 -0.004 0.000 0.183 234 N C 0.920 176.450 175.510 0.034 0.000 1.041 234 N CA 1.142 54.305 53.050 0.189 0.000 0.900 234 N CB -0.443 38.152 38.487 0.180 0.000 0.961 234 N HN 0.351 nan 8.380 nan 0.000 0.443 235 D N -0.899 119.474 120.400 -0.046 0.000 2.340 235 D HA 0.143 4.781 4.640 -0.004 0.000 0.220 235 D C 1.319 177.486 176.300 -0.221 0.000 1.039 235 D CA 0.480 54.419 54.000 -0.102 0.000 0.866 235 D CB 0.155 40.897 40.800 -0.096 0.000 0.913 235 D HN 0.335 nan 8.370 nan 0.000 0.523 236 G N 1.039 109.606 108.800 -0.389 0.000 2.195 236 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.224 236 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.224 236 G C -0.156 173.991 174.900 -1.254 0.000 0.990 236 G CA -0.275 44.336 45.100 -0.815 0.000 0.639 236 G HN 0.270 nan 8.290 nan 0.000 0.514 237 D N 0.894 120.854 120.400 -0.734 0.000 2.631 237 D HA 0.510 5.148 4.640 -0.004 0.000 0.227 237 D C 1.380 177.455 176.300 -0.376 0.000 1.146 237 D CA -0.447 53.245 54.000 -0.513 0.000 1.009 237 D CB -0.432 40.217 40.800 -0.252 0.000 1.057 237 D HN 0.377 nan 8.370 nan 0.000 0.509 238 F N 0.080 119.936 119.950 -0.157 0.000 2.161 238 F HA -0.163 4.362 4.527 -0.004 0.000 0.300 238 F C 1.995 177.861 175.800 0.111 0.000 1.089 238 F CA 0.113 58.078 58.000 -0.057 0.000 1.282 238 F CB -0.127 38.804 39.000 -0.114 0.000 1.010 238 F HN 0.272 nan 8.300 nan 0.000 0.485 239 L N 0.416 121.749 121.223 0.184 0.000 2.068 239 L HA -0.011 4.327 4.340 -0.004 0.000 0.204 239 L C 2.417 179.343 176.870 0.093 0.000 1.076 239 L CA 1.550 56.476 54.840 0.144 0.000 0.753 239 L CB -0.614 41.499 42.059 0.089 0.000 0.910 239 L HN -0.128 nan 8.230 nan 0.000 0.439 240 R N 0.004 120.520 120.500 0.028 0.000 2.152 240 R HA 0.009 4.347 4.340 -0.004 0.000 0.232 240 R C 2.120 178.422 176.300 0.004 0.000 1.117 240 R CA 1.042 57.142 56.100 0.001 0.000 0.981 240 R CB -1.138 29.138 30.300 -0.041 0.000 0.870 240 R HN 0.492 nan 8.270 nan 0.000 0.451 241 A N 1.439 124.272 122.820 0.022 0.000 1.978 241 A HA -0.146 4.172 4.320 -0.004 0.000 0.220 241 A C 1.615 179.193 177.584 -0.010 0.000 1.170 241 A CA 1.286 53.290 52.037 -0.055 0.000 0.636 241 A CB -0.101 18.907 19.000 0.014 0.000 0.810 241 A HN 0.180 nan 8.150 nan 0.000 0.448 242 E N -0.753 119.526 120.200 0.133 0.000 2.479 242 E HA -0.056 4.292 4.350 -0.004 0.000 0.193 242 E C 1.748 178.412 176.600 0.107 0.000 1.049 242 E CA 0.508 57.016 56.400 0.179 0.000 0.870 242 E CB -0.060 29.770 29.700 0.217 0.000 0.944 242 E HN 0.719 nan 8.360 nan 0.000 0.492 243 Q N 1.971 121.806 119.800 0.059 0.000 2.047 243 Q HA -0.298 4.040 4.340 -0.004 0.000 0.211 243 Q C 2.124 178.142 176.000 0.030 0.000 1.005 243 Q CA 2.517 58.338 55.803 0.031 0.000 0.866 243 Q CB -0.291 28.448 28.738 0.002 0.000 0.938 243 Q HN 0.333 nan 8.270 nan 0.000 0.414 244 Q N -1.435 118.381 119.800 0.026 0.000 2.084 244 Q HA -0.115 4.222 4.340 -0.004 0.000 0.202 244 Q C 1.897 177.931 176.000 0.055 0.000 0.978 244 Q CA 1.772 57.583 55.803 0.013 0.000 0.844 244 Q CB -0.694 27.992 28.738 -0.087 0.000 0.898 244 Q HN 0.542 nan 8.270 nan 0.000 0.426 245 G N 0.472 109.327 108.800 0.091 0.000 2.421 245 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.216 245 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.216 245 G C 1.252 176.228 174.900 0.127 0.000 1.171 245 G CA 0.926 46.109 45.100 0.139 0.000 0.775 245 G HN 0.337 nan 8.290 nan 0.000 0.543 246 I N 1.635 122.266 120.570 0.101 0.000 2.226 246 I HA -0.144 4.023 4.170 -0.004 0.000 0.245 246 I C 2.323 178.482 176.117 0.070 0.000 1.100 246 I CA 0.832 62.182 61.300 0.083 0.000 1.374 246 I CB -0.284 37.758 38.000 0.070 0.000 1.057 246 I HN 0.062 nan 8.210 nan 0.000 0.413 247 N N 0.396 119.128 118.700 0.054 0.000 2.289 247 N HA -0.120 4.618 4.740 -0.004 0.000 0.184 247 N C 1.802 177.367 175.510 0.092 0.000 1.016 247 N CA 1.517 54.558 53.050 -0.014 0.000 0.872 247 N CB -0.195 38.167 38.487 -0.207 0.000 0.973 247 N HN 0.446 nan 8.380 nan 0.000 0.433 248 A N 1.001 123.969 122.820 0.246 0.000 1.887 248 A HA 0.033 4.351 4.320 -0.004 0.000 0.212 248 A C 1.959 179.574 177.584 0.052 0.000 1.198 248 A CA 0.600 52.791 52.037 0.257 0.000 0.628 248 A CB -0.258 18.938 19.000 0.328 0.000 0.847 248 A HN 0.201 nan 8.150 nan 0.000 0.449 249 E N 0.539 120.775 120.200 0.060 0.000 2.268 249 E HA -0.185 4.163 4.350 -0.004 0.000 0.195 249 E C 1.768 178.385 176.600 0.029 0.000 0.995 249 E CA 1.199 57.610 56.400 0.018 0.000 0.836 249 E CB -0.166 29.557 29.700 0.038 0.000 0.763 249 E HN 0.808 nan 8.360 nan 0.000 0.491 250 K N 1.043 121.474 120.400 0.052 0.000 2.280 250 K HA -0.123 4.194 4.320 -0.004 0.000 0.202 250 K C 1.806 178.456 176.600 0.083 0.000 1.047 250 K CA 0.969 57.303 56.287 0.078 0.000 0.942 250 K CB -0.199 32.346 32.500 0.074 0.000 0.739 250 K HN 0.134 nan 8.250 nan 0.000 0.457 251 L N 1.687 122.923 121.223 0.023 0.000 2.191 251 L HA -0.075 4.262 4.340 -0.004 0.000 0.212 251 L C 1.311 178.242 176.870 0.102 0.000 1.103 251 L CA 1.500 56.355 54.840 0.027 0.000 0.769 251 L CB -0.659 41.304 42.059 -0.160 0.000 0.908 251 L HN 0.457 nan 8.230 nan 0.000 0.438 252 T N -4.915 109.679 114.554 0.067 0.000 3.313 252 T HA 0.231 4.579 4.350 -0.004 0.000 0.263 252 T C 1.052 175.861 174.700 0.181 0.000 0.983 252 T CA -0.596 61.571 62.100 0.111 0.000 0.963 252 T CB 0.534 69.414 68.868 0.019 0.000 1.141 252 T HN -0.006 nan 8.240 nan 0.000 0.526 253 K N 0.746 121.294 120.400 0.246 0.000 2.172 253 K HA 0.317 4.635 4.320 -0.004 0.000 0.203 253 K C 0.516 177.340 176.600 0.372 0.000 1.040 253 K CA 0.565 57.019 56.287 0.277 0.000 0.974 253 K CB 0.399 33.058 32.500 0.266 0.000 0.857 253 K HN 0.301 nan 8.250 nan 0.000 0.464 254 V N 2.182 122.285 119.914 0.315 0.000 2.735 254 V HA 0.316 4.434 4.120 -0.004 0.000 0.310 254 V C -0.352 175.694 176.094 -0.080 0.000 1.061 254 V CA -0.932 61.471 62.300 0.171 0.000 0.913 254 V CB 2.667 34.586 31.823 0.161 0.000 1.005 254 V HN 0.139 nan 8.190 nan 0.000 0.428 255 L N 4.807 125.735 121.223 -0.492 0.000 2.305 255 L HA 0.444 4.782 4.340 -0.004 0.000 0.281 255 L C -0.192 176.480 176.870 -0.330 0.000 1.085 255 L CA -0.222 54.052 54.840 -0.942 0.000 0.813 255 L CB 0.296 41.628 42.059 -1.210 0.000 1.157 255 L HN 0.918 nan 8.230 nan 0.000 0.436 256 Y N 2.693 122.913 120.300 -0.133 0.000 3.037 256 Y HA -0.189 4.359 4.550 -0.004 0.000 0.204 256 Y C -1.760 174.150 175.900 0.016 0.000 1.275 256 Y CA -0.914 57.167 58.100 -0.032 0.000 1.066 256 Y CB -1.538 36.909 38.460 -0.022 0.000 1.305 256 Y HN 0.507 nan 8.280 nan 0.000 0.499 257 P HA -0.109 nan 4.420 nan 0.000 0.269 257 P C 0.065 177.425 177.300 0.100 0.000 1.209 257 P CA 0.037 63.217 63.100 0.133 0.000 0.776 257 P CB 0.616 32.397 31.700 0.135 0.000 0.876 258 N N 2.344 121.089 118.700 0.076 0.000 2.301 258 N HA -0.134 4.604 4.740 -0.004 0.000 0.267 258 N C 0.208 175.633 175.510 -0.142 0.000 1.304 258 N CA -0.059 52.995 53.050 0.006 0.000 0.851 258 N CB 0.155 38.677 38.487 0.059 0.000 1.070 258 N HN 0.371 nan 8.380 nan 0.000 0.483 259 D N 2.396 122.706 120.400 -0.150 0.000 2.593 259 D HA 0.053 4.691 4.640 -0.004 0.000 0.241 259 D C -0.021 176.146 176.300 -0.222 0.000 1.257 259 D CA -0.326 53.542 54.000 -0.220 0.000 0.828 259 D CB -0.258 40.519 40.800 -0.039 0.000 1.049 259 D HN 0.345 nan 8.370 nan 0.000 0.490 260 N N 0.837 119.410 118.700 -0.211 0.000 2.550 260 N HA -0.053 4.685 4.740 -0.004 0.000 0.186 260 N C 0.385 175.902 175.510 0.012 0.000 1.110 260 N CA 0.599 53.625 53.050 -0.040 0.000 0.912 260 N CB -0.108 38.434 38.487 0.092 0.000 0.968 260 N HN 0.663 nan 8.380 nan 0.000 0.448 261 H N -4.035 115.079 119.070 0.072 0.000 2.864 261 H HA 0.355 4.908 4.556 -0.004 0.000 0.354 261 H C 0.410 175.784 175.328 0.077 0.000 1.208 261 H CA -0.487 55.601 56.048 0.067 0.000 1.191 261 H CB 0.702 30.500 29.762 0.060 0.000 1.889 261 H HN -0.301 nan 8.280 nan 0.000 0.574 262 T N 0.520 115.219 114.554 0.242 0.000 2.777 262 T HA -0.100 4.247 4.350 -0.004 0.000 0.266 262 T C 2.193 177.016 174.700 0.205 0.000 1.040 262 T CA 1.759 63.964 62.100 0.175 0.000 1.141 262 T CB -0.488 68.461 68.868 0.135 0.000 0.868 262 T HN 0.671 nan 8.240 nan 0.000 0.444 263 A N 1.474 124.495 122.820 0.336 0.000 1.902 263 A HA 0.086 4.404 4.320 -0.004 0.000 0.217 263 A C 2.627 180.355 177.584 0.240 0.000 1.181 263 A CA 1.895 54.098 52.037 0.277 0.000 0.623 263 A CB -1.374 17.779 19.000 0.255 0.000 0.818 263 A HN 0.510 nan 8.150 nan 0.000 0.443 264 G N -0.320 108.589 108.800 0.182 0.000 2.418 264 G HA2 -0.212 3.746 3.960 -0.004 0.000 0.217 264 G HA3 -0.212 3.746 3.960 -0.004 0.000 0.217 264 G C 1.667 176.603 174.900 0.060 0.000 1.158 264 G CA 1.031 46.112 45.100 -0.033 0.000 0.771 264 G HN 0.570 nan 8.290 nan 0.000 0.545 265 K N 0.405 120.855 120.400 0.085 0.000 2.026 265 K HA -0.097 4.221 4.320 -0.004 0.000 0.208 265 K C 2.432 179.193 176.600 0.268 0.000 1.048 265 K CA 1.321 57.763 56.287 0.258 0.000 0.929 265 K CB -0.205 32.455 32.500 0.265 0.000 0.713 265 K HN 0.291 nan 8.250 nan 0.000 0.439 266 K N 1.337 121.829 120.400 0.152 0.000 2.097 266 K HA -0.168 4.150 4.320 -0.004 0.000 0.206 266 K C 2.230 178.853 176.600 0.038 0.000 1.049 266 K CA 0.891 57.212 56.287 0.057 0.000 0.933 266 K CB -0.092 32.440 32.500 0.053 0.000 0.717 266 K HN 0.003 nan 8.250 nan 0.000 0.442 267 L N 1.958 123.235 121.223 0.090 0.000 2.012 267 L HA -0.180 4.158 4.340 -0.004 0.000 0.210 267 L C 2.274 179.214 176.870 0.116 0.000 1.073 267 L CA 1.628 56.528 54.840 0.100 0.000 0.748 267 L CB -0.481 41.653 42.059 0.124 0.000 0.891 267 L HN 0.134 nan 8.230 nan 0.000 0.431 268 R N -0.525 120.072 120.500 0.161 0.000 2.083 268 R HA -0.171 4.167 4.340 -0.004 0.000 0.237 268 R C 2.215 178.587 176.300 0.120 0.000 1.137 268 R CA 1.725 57.958 56.100 0.221 0.000 0.951 268 R CB -1.361 29.170 30.300 0.384 0.000 0.851 268 R HN 0.372 nan 8.270 nan 0.000 0.434 269 L N 1.021 122.157 121.223 -0.144 0.000 2.083 269 L HA -0.072 4.265 4.340 -0.004 0.000 0.209 269 L C 2.288 179.082 176.870 -0.126 0.000 1.083 269 L CA 1.571 56.137 54.840 -0.457 0.000 0.752 269 L CB -0.346 41.076 42.059 -1.062 0.000 0.899 269 L HN 0.112 nan 8.230 nan 0.000 0.433 270 M N -1.550 118.038 119.600 -0.019 0.000 2.175 270 M HA -0.211 4.267 4.480 -0.004 0.000 0.264 270 M C 2.262 178.686 176.300 0.207 0.000 1.063 270 M CA 1.570 56.942 55.300 0.120 0.000 1.119 270 M CB -0.349 32.312 32.600 0.103 0.000 1.377 270 M HN 0.348 nan 8.290 nan 0.000 0.415 271 Q N 0.165 120.076 119.800 0.184 0.000 2.050 271 Q HA -0.230 4.108 4.340 -0.004 0.000 0.202 271 Q C 2.059 178.213 176.000 0.257 0.000 0.980 271 Q CA 1.586 57.540 55.803 0.251 0.000 0.840 271 Q CB -0.185 28.704 28.738 0.251 0.000 0.898 271 Q HN 0.599 nan 8.270 nan 0.000 0.424 272 Q N -0.589 119.330 119.800 0.198 0.000 2.084 272 Q HA -0.212 4.126 4.340 -0.004 0.000 0.202 272 Q C 1.857 177.935 176.000 0.130 0.000 0.978 272 Q CA 1.558 57.467 55.803 0.177 0.000 0.844 272 Q CB -0.237 28.615 28.738 0.190 0.000 0.898 272 Q HN 0.410 nan 8.270 nan 0.000 0.426 273 Y N 0.390 120.696 120.300 0.009 0.000 2.200 273 Y HA -0.249 4.299 4.550 -0.004 0.000 0.290 273 Y C 1.902 177.812 175.900 0.016 0.000 1.137 273 Y CA 1.202 59.275 58.100 -0.044 0.000 1.163 273 Y CB -0.451 37.945 38.460 -0.106 0.000 0.988 273 Y HN 0.127 nan 8.280 nan 0.000 0.518 274 F N 1.496 121.292 119.950 -0.256 0.000 2.126 274 F HA -0.242 4.283 4.527 -0.004 0.000 0.299 274 F C 2.575 178.176 175.800 -0.331 0.000 1.096 274 F CA 2.409 60.214 58.000 -0.326 0.000 1.255 274 F CB -0.873 38.082 39.000 -0.075 0.000 0.997 274 F HN 0.277 nan 8.300 nan 0.000 0.479 275 Q N -0.554 119.055 119.800 -0.319 0.000 2.124 275 Q HA -0.191 4.147 4.340 -0.004 0.000 0.202 275 Q C 2.262 178.019 176.000 -0.405 0.000 0.977 275 Q CA 2.154 57.753 55.803 -0.339 0.000 0.850 275 Q CB -0.431 28.338 28.738 0.052 0.000 0.901 275 Q HN 0.552 nan 8.270 nan 0.000 0.429 276 C N -0.022 119.100 119.300 -0.297 0.000 2.475 276 C HA 0.139 4.596 4.460 -0.004 0.000 0.279 276 C C 2.811 177.584 174.990 -0.361 0.000 1.322 276 C CA 0.457 59.333 59.018 -0.237 0.000 1.734 276 C CB -1.083 26.610 27.740 -0.078 0.000 2.005 276 C HN 0.698 nan 8.230 nan 0.000 0.495 277 A N -0.231 122.262 122.820 -0.544 0.000 1.865 277 A HA -0.234 4.084 4.320 -0.004 0.000 0.217 277 A C 2.160 179.397 177.584 -0.579 0.000 1.191 277 A CA 2.357 54.083 52.037 -0.518 0.000 0.623 277 A CB -1.208 17.341 19.000 -0.751 0.000 0.826 277 A HN 0.651 nan 8.150 nan 0.000 0.444 278 C N -0.787 117.944 119.300 -0.949 0.000 2.432 278 C HA -0.060 4.397 4.460 -0.004 0.000 0.277 278 C C 3.291 177.647 174.990 -1.057 0.000 1.249 278 C CA 1.275 59.473 59.018 -1.367 0.000 1.725 278 C CB -1.324 24.843 27.740 -2.621 0.000 2.028 278 C HN 0.627 nan 8.230 nan 0.000 0.477 279 S N 0.776 115.978 115.700 -0.830 0.000 2.353 279 S HA -0.163 4.305 4.470 -0.004 0.000 0.222 279 S C 1.927 176.265 174.600 -0.438 0.000 1.035 279 S CA 1.656 59.494 58.200 -0.604 0.000 1.025 279 S CB -0.490 62.319 63.200 -0.652 0.000 0.902 279 S HN 0.473 nan 8.310 nan 0.000 0.440 280 V N 2.078 121.811 119.914 -0.302 0.000 2.287 280 V HA -0.247 3.871 4.120 -0.004 0.000 0.248 280 V C 2.659 178.686 176.094 -0.111 0.000 1.053 280 V CA 1.798 64.009 62.300 -0.148 0.000 1.027 280 V CB -1.248 30.543 31.823 -0.054 0.000 0.646 280 V HN 0.556 nan 8.190 nan 0.000 0.447 281 A N -0.160 122.571 122.820 -0.150 0.000 1.902 281 A HA -0.313 4.005 4.320 -0.004 0.000 0.217 281 A C 2.044 179.615 177.584 -0.022 0.000 1.181 281 A CA 2.284 54.268 52.037 -0.089 0.000 0.623 281 A CB -0.726 18.187 19.000 -0.145 0.000 0.818 281 A HN 0.605 nan 8.150 nan 0.000 0.443 282 D N -0.265 120.138 120.400 0.005 0.000 2.117 282 D HA -0.115 4.523 4.640 -0.004 0.000 0.197 282 D C 1.758 178.146 176.300 0.147 0.000 0.987 282 D CA 1.397 55.504 54.000 0.179 0.000 0.829 282 D CB -0.195 40.891 40.800 0.477 0.000 0.961 282 D HN 0.490 nan 8.370 nan 0.000 0.460 283 I N 0.029 120.651 120.570 0.088 0.000 2.179 283 I HA -0.244 3.923 4.170 -0.004 0.000 0.242 283 I C 2.323 178.473 176.117 0.055 0.000 1.088 283 I CA 0.744 62.090 61.300 0.077 0.000 1.357 283 I CB -0.250 37.754 38.000 0.007 0.000 1.051 283 I HN 0.121 nan 8.210 nan 0.000 0.409 284 L N 0.210 121.452 121.223 0.032 0.000 2.131 284 L HA -0.192 4.146 4.340 -0.004 0.000 0.210 284 L C 2.777 179.718 176.870 0.119 0.000 1.092 284 L CA 1.108 55.986 54.840 0.063 0.000 0.759 284 L CB -0.620 41.467 42.059 0.046 0.000 0.903 284 L HN 0.269 nan 8.230 nan 0.000 0.435 285 R N 0.761 121.315 120.500 0.089 0.000 2.066 285 R HA -0.200 4.137 4.340 -0.004 0.000 0.232 285 R C 2.485 178.850 176.300 0.108 0.000 1.131 285 R CA 1.642 57.798 56.100 0.094 0.000 0.955 285 R CB -0.189 30.155 30.300 0.072 0.000 0.851 285 R HN 0.220 nan 8.270 nan 0.000 0.432 286 R N -0.700 119.850 120.500 0.083 0.000 2.081 286 R HA -0.214 4.124 4.340 -0.004 0.000 0.235 286 R C 2.279 178.593 176.300 0.023 0.000 1.131 286 R CA 2.060 58.180 56.100 0.033 0.000 0.960 286 R CB -0.446 29.857 30.300 0.005 0.000 0.856 286 R HN 0.371 nan 8.270 nan 0.000 0.436 287 H N -0.142 118.899 119.070 -0.050 0.000 2.293 287 H HA -0.190 4.364 4.556 -0.004 0.000 0.300 287 H C 2.147 177.415 175.328 -0.101 0.000 1.082 287 H CA 2.355 58.343 56.048 -0.101 0.000 1.308 287 H CB -0.422 29.291 29.762 -0.081 0.000 1.375 287 H HN 0.321 nan 8.280 nan 0.000 0.495 288 H N 0.409 119.436 119.070 -0.071 0.000 2.319 288 H HA -0.113 4.440 4.556 -0.004 0.000 0.299 288 H C 2.267 177.511 175.328 -0.140 0.000 1.092 288 H CA 1.809 57.783 56.048 -0.124 0.000 1.302 288 H CB -0.274 29.467 29.762 -0.035 0.000 1.373 288 H HN 0.395 nan 8.280 nan 0.000 0.497 289 L N 0.472 121.638 121.223 -0.095 0.000 2.191 289 L HA -0.126 4.211 4.340 -0.004 0.000 0.212 289 L C 2.856 179.596 176.870 -0.216 0.000 1.103 289 L CA 0.878 55.633 54.840 -0.142 0.000 0.769 289 L CB -0.450 41.593 42.059 -0.027 0.000 0.908 289 L HN 0.297 nan 8.230 nan 0.000 0.438 290 A N -0.347 122.327 122.820 -0.243 0.000 2.235 290 A HA 0.202 4.519 4.320 -0.004 0.000 0.208 290 A C 1.762 179.150 177.584 -0.327 0.000 1.172 290 A CA 0.777 52.656 52.037 -0.264 0.000 0.786 290 A CB -0.581 18.243 19.000 -0.292 0.000 0.804 290 A HN 0.532 nan 8.150 nan 0.000 0.479 291 G N -0.733 107.834 108.800 -0.389 0.000 2.147 291 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.244 291 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.244 291 G C 0.234 174.890 174.900 -0.407 0.000 1.005 291 G CA 0.402 45.276 45.100 -0.375 0.000 0.713 291 G HN 0.682 nan 8.290 nan 0.000 0.515 292 R N -0.094 120.051 120.500 -0.591 0.000 2.528 292 R HA 0.528 4.865 4.340 -0.004 0.000 0.271 292 R C 0.443 176.407 176.300 -0.561 0.000 1.056 292 R CA -0.567 55.106 56.100 -0.713 0.000 1.117 292 R CB 0.853 30.409 30.300 -1.241 0.000 1.085 292 R HN 0.202 nan 8.270 nan 0.000 0.530 293 K N 1.814 121.991 120.400 -0.372 0.000 2.322 293 K HA 0.007 4.325 4.320 -0.004 0.000 0.283 293 K C 0.933 177.429 176.600 -0.175 0.000 1.042 293 K CA -0.325 55.758 56.287 -0.340 0.000 0.958 293 K CB 0.847 32.983 32.500 -0.606 0.000 0.984 293 K HN 0.301 nan 8.250 nan 0.000 0.473 294 L N 4.051 125.200 121.223 -0.124 0.000 2.079 294 L HA -0.229 4.108 4.340 -0.004 0.000 0.210 294 L C 2.117 178.943 176.870 -0.072 0.000 1.081 294 L CA 2.087 56.903 54.840 -0.040 0.000 0.752 294 L CB -0.688 41.283 42.059 -0.147 0.000 0.896 294 L HN 0.803 nan 8.230 nan 0.000 0.433 295 H N -2.078 117.008 119.070 0.027 0.000 2.559 295 H HA 0.053 4.607 4.556 -0.004 0.000 0.273 295 H C 1.279 176.627 175.328 0.033 0.000 1.000 295 H CA 1.125 57.180 56.048 0.012 0.000 1.195 295 H CB -0.630 29.141 29.762 0.016 0.000 1.368 295 H HN 0.541 nan 8.280 nan 0.000 0.592 296 E N 0.325 120.497 120.200 -0.047 0.000 2.465 296 E HA 0.062 4.410 4.350 -0.004 0.000 0.195 296 E C 1.185 177.873 176.600 0.148 0.000 1.028 296 E CA -0.111 56.365 56.400 0.126 0.000 0.899 296 E CB 0.242 30.056 29.700 0.191 0.000 1.032 296 E HN 0.269 nan 8.360 nan 0.000 0.468 297 L N 1.840 123.026 121.223 -0.062 0.000 1.991 297 L HA -0.294 4.044 4.340 -0.004 0.000 0.221 297 L C 2.287 179.069 176.870 -0.146 0.000 1.079 297 L CA 2.473 57.103 54.840 -0.350 0.000 0.778 297 L CB -0.647 41.170 42.059 -0.405 0.000 0.893 297 L HN 0.153 nan 8.230 nan 0.000 0.437 298 A N -1.346 121.397 122.820 -0.127 0.000 2.076 298 A HA -0.219 4.099 4.320 -0.004 0.000 0.220 298 A C 1.883 179.401 177.584 -0.109 0.000 1.160 298 A CA 1.830 53.783 52.037 -0.140 0.000 0.653 298 A CB -0.798 18.098 19.000 -0.174 0.000 0.801 298 A HN 0.635 nan 8.150 nan 0.000 0.455 299 D N -1.798 118.566 120.400 -0.060 0.000 2.183 299 D HA -0.060 4.578 4.640 -0.004 0.000 0.203 299 D C 0.953 177.090 176.300 -0.272 0.000 0.969 299 D CA 1.250 55.140 54.000 -0.184 0.000 0.842 299 D CB -0.154 40.499 40.800 -0.244 0.000 0.957 299 D HN 0.705 nan 8.370 nan 0.000 0.484 300 Y N -0.544 119.758 120.300 0.003 0.000 2.430 300 Y HA 0.311 4.859 4.550 -0.003 0.000 0.248 300 Y C 0.525 176.445 175.900 0.033 0.000 1.108 300 Y CA -0.347 57.779 58.100 0.042 0.000 1.264 300 Y CB 1.055 39.582 38.460 0.111 0.000 1.172 300 Y HN -0.256 nan 8.280 nan 0.000 0.520 301 E N 0.188 120.453 120.200 0.108 0.000 2.293 301 E HA 0.581 4.929 4.350 -0.004 0.000 0.270 301 E C -1.668 174.912 176.600 -0.033 0.000 0.879 301 E CA -0.768 55.657 56.400 0.042 0.000 0.756 301 E CB 2.666 32.347 29.700 -0.030 0.000 1.208 301 E HN -0.180 nan 8.360 nan 0.000 0.428 302 V N 4.910 124.808 119.914 -0.026 0.000 2.760 302 V HA 0.586 4.704 4.120 -0.004 0.000 0.309 302 V C -1.367 174.698 176.094 -0.050 0.000 1.077 302 V CA -0.544 61.748 62.300 -0.013 0.000 0.910 302 V CB 1.474 33.340 31.823 0.072 0.000 1.008 302 V HN 0.682 nan 8.190 nan 0.000 0.424 303 I N 5.453 126.002 120.570 -0.034 0.000 2.382 303 I HA 0.451 4.619 4.170 -0.004 0.000 0.286 303 I C -0.594 175.608 176.117 0.141 0.000 1.002 303 I CA -0.629 60.676 61.300 0.008 0.000 1.135 303 I CB 1.825 39.757 38.000 -0.114 0.000 1.288 303 I HN 0.576 nan 8.210 nan 0.000 0.448 304 Q N 6.783 126.654 119.800 0.119 0.000 2.322 304 Q HA 0.467 4.805 4.340 -0.004 0.000 0.256 304 Q C -1.247 174.803 176.000 0.083 0.000 0.960 304 Q CA -0.089 55.808 55.803 0.156 0.000 0.934 304 Q CB 1.031 29.891 28.738 0.204 0.000 1.200 304 Q HN 0.561 nan 8.270 nan 0.000 0.435 305 L N 4.258 125.578 121.223 0.161 0.000 2.257 305 L HA 0.444 4.782 4.340 -0.004 0.000 0.290 305 L C -0.423 176.548 176.870 0.168 0.000 1.044 305 L CA -0.561 54.382 54.840 0.173 0.000 0.810 305 L CB 0.905 43.097 42.059 0.221 0.000 1.193 305 L HN 0.606 nan 8.230 nan 0.000 0.425 306 N N 3.648 122.407 118.700 0.099 0.000 2.426 306 N HA 0.297 5.034 4.740 -0.004 0.000 0.257 306 N C -0.809 174.827 175.510 0.209 0.000 1.002 306 N CA -0.459 52.695 53.050 0.173 0.000 0.942 306 N CB 0.759 39.270 38.487 0.040 0.000 1.112 306 N HN 0.496 nan 8.380 nan 0.000 0.499 307 D N -0.648 119.924 120.400 0.287 0.000 5.377 307 D HA -0.196 4.442 4.640 -0.004 0.000 0.315 307 D C 0.897 177.361 176.300 0.274 0.000 2.498 307 D CA 1.396 55.541 54.000 0.241 0.000 1.245 307 D CB -0.257 40.485 40.800 -0.098 0.000 1.150 307 D HN 0.576 nan 8.370 nan 0.000 1.307 308 T N -3.208 111.424 114.554 0.130 0.000 3.085 308 T HA -0.051 4.297 4.350 -0.004 0.000 0.263 308 T C 1.544 176.373 174.700 0.216 0.000 1.127 308 T CA 1.849 64.030 62.100 0.134 0.000 1.103 308 T CB -0.430 68.508 68.868 0.117 0.000 0.921 308 T HN 0.510 nan 8.240 nan 0.000 0.510 309 H N 2.747 121.964 119.070 0.245 0.000 2.321 309 H HA -0.047 4.507 4.556 -0.004 0.000 0.295 309 H C -0.792 174.662 175.328 0.210 0.000 1.102 309 H CA 1.407 57.609 56.048 0.258 0.000 1.266 309 H CB -0.788 29.133 29.762 0.265 0.000 1.363 309 H HN 0.457 nan 8.280 nan 0.000 0.492 310 P HA 0.133 nan 4.420 nan 0.000 0.262 310 P C 0.365 177.711 177.300 0.077 0.000 1.651 310 P CA 0.302 63.508 63.100 0.178 0.000 1.119 310 P CB 0.628 32.435 31.700 0.177 0.000 1.552 311 T N 0.722 115.321 114.554 0.076 0.000 2.684 311 T HA -0.158 4.189 4.350 -0.004 0.000 0.267 311 T C 1.603 176.257 174.700 -0.076 0.000 1.036 311 T CA 1.212 63.293 62.100 -0.031 0.000 1.148 311 T CB -0.710 68.172 68.868 0.023 0.000 0.863 311 T HN 0.061 nan 8.240 nan 0.000 0.436 312 I N 1.478 122.049 120.570 0.002 0.000 2.623 312 I HA -0.155 4.012 4.170 -0.004 0.000 0.261 312 I C 2.266 178.381 176.117 -0.003 0.000 1.204 312 I CA 0.457 61.755 61.300 -0.004 0.000 1.444 312 I CB -0.442 37.558 38.000 0.000 0.000 1.094 312 I HN 0.196 nan 8.210 nan 0.000 0.451 313 A N 0.067 122.855 122.820 -0.055 0.000 2.015 313 A HA -0.144 4.174 4.320 -0.004 0.000 0.219 313 A C 2.272 179.768 177.584 -0.147 0.000 1.163 313 A CA 1.566 53.586 52.037 -0.029 0.000 0.646 313 A CB -0.733 18.295 19.000 0.048 0.000 0.806 313 A HN 0.492 nan 8.150 nan 0.000 0.448 314 I N -0.067 120.208 120.570 -0.491 0.000 2.113 314 I HA -0.163 4.005 4.170 -0.004 0.000 0.238 314 I C -0.545 175.507 176.117 -0.107 0.000 1.070 314 I CA 1.455 62.392 61.300 -0.604 0.000 1.332 314 I CB -1.188 36.445 38.000 -0.612 0.000 1.044 314 I HN 0.187 nan 8.210 nan 0.000 0.402 315 P HA -0.181 nan 4.420 nan 0.000 0.218 315 P C 1.331 178.734 177.300 0.172 0.000 1.149 315 P CA 1.271 64.450 63.100 0.133 0.000 0.817 315 P CB 0.050 31.880 31.700 0.215 0.000 0.785 316 E N -0.053 120.305 120.200 0.264 0.000 2.051 316 E HA -0.181 4.167 4.350 -0.004 0.000 0.192 316 E C 1.779 178.496 176.600 0.194 0.000 0.991 316 E CA 1.058 57.665 56.400 0.345 0.000 0.799 316 E CB -1.279 28.623 29.700 0.337 0.000 0.748 316 E HN 0.010 nan 8.360 nan 0.000 0.449 317 L N 0.149 121.481 121.223 0.182 0.000 2.093 317 L HA 0.001 4.339 4.340 -0.004 0.000 0.208 317 L C 2.139 179.071 176.870 0.103 0.000 1.085 317 L CA 1.485 56.422 54.840 0.162 0.000 0.755 317 L CB -0.521 41.691 42.059 0.255 0.000 0.904 317 L HN 0.289 nan 8.230 nan 0.000 0.435 318 L N -0.665 120.601 121.223 0.073 0.000 2.046 318 L HA -0.214 4.124 4.340 -0.004 0.000 0.208 318 L C 2.820 179.705 176.870 0.024 0.000 1.077 318 L CA 1.568 56.407 54.840 -0.001 0.000 0.747 318 L CB -0.542 41.483 42.059 -0.057 0.000 0.896 318 L HN 0.330 nan 8.230 nan 0.000 0.432 319 R N 0.039 120.555 120.500 0.026 0.000 2.083 319 R HA -0.171 4.167 4.340 -0.004 0.000 0.237 319 R C 2.167 178.503 176.300 0.060 0.000 1.137 319 R CA 1.927 58.028 56.100 0.001 0.000 0.951 319 R CB -0.296 29.929 30.300 -0.126 0.000 0.851 319 R HN 0.170 nan 8.270 nan 0.000 0.434 320 V N 1.372 121.342 119.914 0.092 0.000 2.295 320 V HA -0.253 3.864 4.120 -0.004 0.000 0.246 320 V C 2.401 178.588 176.094 0.156 0.000 1.049 320 V CA 1.363 63.726 62.300 0.105 0.000 1.024 320 V CB -0.484 31.418 31.823 0.132 0.000 0.648 320 V HN 0.257 nan 8.190 nan 0.000 0.447 321 L N -0.653 120.677 121.223 0.178 0.000 2.017 321 L HA -0.131 4.207 4.340 -0.004 0.000 0.208 321 L C 2.284 179.250 176.870 0.160 0.000 1.073 321 L CA 1.827 56.790 54.840 0.205 0.000 0.745 321 L CB -1.033 41.080 42.059 0.090 0.000 0.894 321 L HN 0.193 nan 8.230 nan 0.000 0.432 322 I N -0.330 120.303 120.570 0.105 0.000 2.133 322 I HA -0.220 3.948 4.170 -0.004 0.000 0.238 322 I C 2.091 178.265 176.117 0.096 0.000 1.074 322 I CA 1.322 62.689 61.300 0.111 0.000 1.342 322 I CB -1.243 36.835 38.000 0.130 0.000 1.053 322 I HN 0.246 nan 8.210 nan 0.000 0.404 323 D N 0.386 120.831 120.400 0.074 0.000 2.194 323 D HA -0.100 4.538 4.640 -0.004 0.000 0.204 323 D C 2.003 178.303 176.300 0.001 0.000 0.964 323 D CA 0.926 54.959 54.000 0.054 0.000 0.846 323 D CB -0.018 40.827 40.800 0.075 0.000 0.962 323 D HN 0.443 nan 8.370 nan 0.000 0.490 324 E N -0.843 119.314 120.200 -0.072 0.000 2.460 324 E HA 0.041 4.389 4.350 -0.004 0.000 0.200 324 E C 0.641 176.989 176.600 -0.420 0.000 1.011 324 E CA 0.242 56.493 56.400 -0.249 0.000 0.912 324 E CB 0.477 29.976 29.700 -0.336 0.000 0.953 324 E HN 0.314 nan 8.360 nan 0.000 0.494 325 H N -0.095 119.000 119.070 0.042 0.000 2.662 325 H HA 0.161 4.715 4.556 -0.004 0.000 0.268 325 H C -0.140 175.219 175.328 0.051 0.000 1.152 325 H CA -0.011 56.063 56.048 0.043 0.000 1.072 325 H CB 0.781 30.569 29.762 0.043 0.000 1.660 325 H HN -0.011 nan 8.280 nan 0.000 0.584 326 Q N -0.002 119.868 119.800 0.117 0.000 2.408 326 Q HA -0.218 4.120 4.340 -0.004 0.000 0.290 326 Q C 0.109 176.180 176.000 0.118 0.000 1.221 326 Q CA 0.548 56.413 55.803 0.102 0.000 0.895 326 Q CB -1.672 27.115 28.738 0.082 0.000 1.241 326 Q HN 0.542 nan 8.270 nan 0.000 0.494 327 M N 0.008 119.690 119.600 0.136 0.000 2.255 327 M HA 0.245 4.722 4.480 -0.004 0.000 0.336 327 M C 0.527 176.902 176.300 0.125 0.000 1.135 327 M CA 0.055 55.428 55.300 0.122 0.000 1.145 327 M CB 0.827 33.496 32.600 0.116 0.000 1.473 327 M HN 0.351 nan 8.290 nan 0.000 0.462 328 S N 2.953 118.728 115.700 0.125 0.000 2.624 328 S HA 0.047 4.515 4.470 -0.004 0.000 0.263 328 S C 0.754 175.476 174.600 0.203 0.000 1.287 328 S CA -0.761 57.537 58.200 0.163 0.000 0.990 328 S CB 0.546 63.834 63.200 0.146 0.000 0.950 328 S HN 0.982 nan 8.310 nan 0.000 0.561 329 W N 1.400 122.755 121.300 0.092 0.000 2.355 329 W HA -0.145 4.513 4.660 -0.004 0.000 0.309 329 W C 0.848 177.462 176.519 0.159 0.000 1.206 329 W CA 2.050 59.464 57.345 0.115 0.000 1.284 329 W CB -0.846 28.655 29.460 0.069 0.000 1.145 329 W HN 0.737 nan 8.180 nan 0.000 0.502 330 D N 0.632 121.235 120.400 0.339 0.000 2.123 330 D HA -0.193 4.445 4.640 -0.004 0.000 0.196 330 D C 1.628 178.024 176.300 0.161 0.000 0.992 330 D CA 1.873 56.029 54.000 0.260 0.000 0.833 330 D CB -0.661 40.272 40.800 0.221 0.000 0.954 330 D HN 0.112 nan 8.370 nan 0.000 0.455 331 D N 0.197 120.667 120.400 0.117 0.000 2.097 331 D HA -0.073 4.565 4.640 -0.004 0.000 0.195 331 D C 2.035 178.359 176.300 0.040 0.000 0.989 331 D CA 1.385 55.431 54.000 0.077 0.000 0.827 331 D CB -0.396 40.448 40.800 0.073 0.000 0.966 331 D HN 0.131 nan 8.370 nan 0.000 0.456 332 A N 0.981 123.804 122.820 0.005 0.000 1.883 332 A HA -0.193 4.125 4.320 -0.004 0.000 0.217 332 A C 2.185 179.713 177.584 -0.094 0.000 1.186 332 A CA 1.355 53.359 52.037 -0.056 0.000 0.624 332 A CB -1.279 17.659 19.000 -0.102 0.000 0.822 332 A HN 0.472 nan 8.150 nan 0.000 0.444 333 W N 0.756 121.843 121.300 -0.354 0.000 2.363 333 W HA -0.162 4.496 4.660 -0.004 0.000 0.296 333 W C 2.258 178.708 176.519 -0.114 0.000 1.212 333 W CA 1.843 59.005 57.345 -0.304 0.000 1.260 333 W CB -0.243 28.995 29.460 -0.370 0.000 1.131 333 W HN 0.443 nan 8.180 nan 0.000 0.530 334 A N 0.681 123.536 122.820 0.057 0.000 1.978 334 A HA -0.189 4.129 4.320 -0.004 0.000 0.220 334 A C 2.014 179.541 177.584 -0.096 0.000 1.170 334 A CA 1.896 53.939 52.037 0.010 0.000 0.636 334 A CB -0.836 18.199 19.000 0.059 0.000 0.810 334 A HN 0.355 nan 8.150 nan 0.000 0.448 335 I N -0.395 120.112 120.570 -0.106 0.000 2.188 335 I HA -0.177 3.990 4.170 -0.004 0.000 0.237 335 I C 2.949 178.946 176.117 -0.200 0.000 1.073 335 I CA 1.652 62.876 61.300 -0.127 0.000 1.359 335 I CB -0.887 37.056 38.000 -0.094 0.000 1.083 335 I HN 0.503 nan 8.210 nan 0.000 0.412 336 T N -0.645 113.777 114.554 -0.220 0.000 2.665 336 T HA -0.236 4.112 4.350 -0.004 0.000 0.268 336 T C 1.950 176.517 174.700 -0.221 0.000 1.035 336 T CA 1.880 63.879 62.100 -0.169 0.000 1.151 336 T CB -1.035 67.767 68.868 -0.110 0.000 0.862 336 T HN 0.444 nan 8.240 nan 0.000 0.438 337 S N 1.120 116.477 115.700 -0.572 0.000 2.500 337 S HA 0.030 4.498 4.470 -0.004 0.000 0.239 337 S C 1.764 176.286 174.600 -0.130 0.000 0.989 337 S CA 0.310 58.200 58.200 -0.517 0.000 0.951 337 S CB -0.307 62.405 63.200 -0.814 0.000 0.759 337 S HN 0.421 nan 8.310 nan 0.000 0.523 338 K N 0.955 121.268 120.400 -0.145 0.000 2.353 338 K HA 0.165 4.482 4.320 -0.004 0.000 0.195 338 K C 1.847 178.332 176.600 -0.192 0.000 1.031 338 K CA 1.065 57.245 56.287 -0.178 0.000 1.079 338 K CB 0.303 32.675 32.500 -0.213 0.000 0.857 338 K HN 0.659 nan 8.250 nan 0.000 0.535 339 T N -2.398 112.104 114.554 -0.087 0.000 2.971 339 T HA 0.240 4.588 4.350 -0.004 0.000 0.252 339 T C 0.320 175.008 174.700 -0.019 0.000 1.022 339 T CA -0.360 61.657 62.100 -0.138 0.000 0.980 339 T CB -0.049 68.591 68.868 -0.381 0.000 1.044 339 T HN -0.120 nan 8.240 nan 0.000 0.501 340 F N 2.323 122.385 119.950 0.187 0.000 2.404 340 F HA 0.719 5.244 4.527 -0.004 0.000 0.345 340 F C 0.580 176.308 175.800 -0.119 0.000 1.110 340 F CA -0.937 57.098 58.000 0.057 0.000 1.130 340 F CB 1.341 40.301 39.000 -0.067 0.000 1.129 340 F HN 0.216 nan 8.300 nan 0.000 0.500 341 A N 3.784 126.637 122.820 0.056 0.000 2.365 341 A HA 0.671 4.989 4.320 -0.004 0.000 0.318 341 A C -2.114 175.499 177.584 0.050 0.000 1.091 341 A CA -0.611 51.280 52.037 -0.244 0.000 0.763 341 A CB 1.067 19.964 19.000 -0.172 0.000 1.248 341 A HN 0.691 nan 8.150 nan 0.000 0.442 342 Y N 1.072 121.288 120.300 -0.141 0.000 2.376 342 Y HA 0.648 5.196 4.550 -0.004 0.000 0.340 342 Y C -0.527 175.368 175.900 -0.009 0.000 0.965 342 Y CA -0.416 57.649 58.100 -0.059 0.000 1.078 342 Y CB 2.019 40.407 38.460 -0.120 0.000 1.193 342 Y HN 0.560 nan 8.280 nan 0.000 0.452 343 T N 6.803 121.040 114.554 -0.528 0.000 2.779 343 T HA 0.242 4.590 4.350 -0.004 0.000 0.280 343 T C -0.844 173.331 174.700 -0.874 0.000 0.987 343 T CA -0.868 60.893 62.100 -0.566 0.000 0.966 343 T CB 0.469 69.198 68.868 -0.233 0.000 0.933 343 T HN 0.687 nan 8.240 nan 0.000 0.442 344 N N 2.088 120.379 118.700 -0.683 0.000 2.422 344 N HA 0.101 4.839 4.740 -0.004 0.000 0.266 344 N C 0.346 175.787 175.510 -0.114 0.000 1.007 344 N CA -0.351 52.539 53.050 -0.266 0.000 0.941 344 N CB 0.664 39.195 38.487 0.074 0.000 1.115 344 N HN 0.651 nan 8.380 nan 0.000 0.492 345 H N 1.600 120.687 119.070 0.029 0.000 2.562 345 H HA 0.090 4.644 4.556 -0.004 0.000 0.267 345 H C 0.038 175.276 175.328 -0.149 0.000 0.959 345 H CA 0.485 56.522 56.048 -0.019 0.000 1.204 345 H CB 1.013 30.767 29.762 -0.013 0.000 1.430 345 H HN 0.501 nan 8.280 nan 0.000 0.545 346 T N -0.085 114.472 114.554 0.005 0.000 2.957 346 T HA 0.168 4.516 4.350 -0.004 0.000 0.336 346 T C -0.217 174.478 174.700 -0.007 0.000 1.462 346 T CA -0.616 61.417 62.100 -0.111 0.000 1.073 346 T CB 1.032 69.844 68.868 -0.094 0.000 1.319 346 T HN -0.124 nan 8.240 nan 0.000 0.485 347 L N 2.872 124.062 121.223 -0.056 0.000 2.599 347 L HA 0.389 4.727 4.340 -0.004 0.000 0.230 347 L C 1.031 177.860 176.870 -0.068 0.000 1.141 347 L CA 0.688 55.509 54.840 -0.031 0.000 0.877 347 L CB -0.523 41.512 42.059 -0.039 0.000 1.009 347 L HN 0.647 nan 8.230 nan 0.000 0.447 348 M N 1.251 120.794 119.600 -0.096 0.000 2.239 348 M HA 0.096 4.574 4.480 -0.004 0.000 0.348 348 M C -0.827 175.472 176.300 -0.002 0.000 1.239 348 M CA -1.859 53.414 55.300 -0.045 0.000 1.114 348 M CB 0.164 32.744 32.600 -0.033 0.000 1.641 348 M HN -0.131 nan 8.290 nan 0.000 0.453 349 P HA -0.196 nan 4.420 nan 0.000 0.217 349 P C 0.541 177.831 177.300 -0.016 0.000 1.148 349 P CA 1.602 64.699 63.100 -0.005 0.000 0.828 349 P CB 0.092 31.788 31.700 -0.007 0.000 0.783 350 E N 0.770 120.965 120.200 -0.007 0.000 2.171 350 E HA -0.124 4.224 4.350 -0.004 0.000 0.197 350 E C 2.119 178.712 176.600 -0.011 0.000 0.997 350 E CA 1.662 58.046 56.400 -0.027 0.000 0.810 350 E CB -1.046 28.642 29.700 -0.021 0.000 0.738 350 E HN 0.315 nan 8.360 nan 0.000 0.467 351 A N 0.161 122.981 122.820 -0.000 0.000 2.251 351 A HA 0.172 4.490 4.320 -0.004 0.000 0.209 351 A C 0.586 178.188 177.584 0.029 0.000 1.187 351 A CA 0.049 52.081 52.037 -0.009 0.000 0.823 351 A CB 0.032 19.034 19.000 0.004 0.000 0.846 351 A HN 0.134 nan 8.150 nan 0.000 0.486 352 L N 1.504 122.742 121.223 0.025 0.000 2.599 352 L HA 0.267 4.605 4.340 -0.004 0.000 0.241 352 L C -0.643 176.218 176.870 -0.015 0.000 1.207 352 L CA -0.397 54.474 54.840 0.051 0.000 0.987 352 L CB 0.504 42.596 42.059 0.055 0.000 1.318 352 L HN 0.256 nan 8.230 nan 0.000 0.458 353 E N 1.974 122.143 120.200 -0.052 0.000 2.392 353 E HA 0.308 4.656 4.350 -0.004 0.000 0.264 353 E C -0.308 176.113 176.600 -0.299 0.000 1.024 353 E CA 0.071 56.325 56.400 -0.244 0.000 0.903 353 E CB 0.878 30.430 29.700 -0.246 0.000 0.963 353 E HN 0.364 nan 8.360 nan 0.000 0.432 354 R N 2.171 122.359 120.500 -0.521 0.000 2.574 354 R HA 0.378 4.716 4.340 -0.004 0.000 0.288 354 R C -1.399 174.557 176.300 -0.574 0.000 1.004 354 R CA -0.689 55.164 56.100 -0.413 0.000 0.895 354 R CB 1.312 31.449 30.300 -0.271 0.000 1.191 354 R HN 0.481 nan 8.270 nan 0.000 0.444 355 W N 1.315 122.570 121.300 -0.075 0.000 2.761 355 W HA 0.319 4.977 4.660 -0.003 0.000 0.340 355 W C -0.427 176.059 176.519 -0.056 0.000 1.072 355 W CA -0.722 56.598 57.345 -0.041 0.000 1.215 355 W CB 1.319 30.767 29.460 -0.019 0.000 1.420 355 W HN 0.287 nan 8.180 nan 0.000 0.519 356 D N 1.509 122.039 120.400 0.216 0.000 2.390 356 D HA 0.010 4.648 4.640 -0.004 0.000 0.249 356 D C 1.444 177.811 176.300 0.112 0.000 1.144 356 D CA 0.079 54.148 54.000 0.115 0.000 0.880 356 D CB 1.682 42.541 40.800 0.097 0.000 1.182 356 D HN 0.352 nan 8.370 nan 0.000 0.451 357 V N 2.018 121.976 119.914 0.073 0.000 2.469 357 V HA -0.281 3.837 4.120 -0.004 0.000 0.251 357 V C 2.073 178.193 176.094 0.043 0.000 1.064 357 V CA 1.656 63.990 62.300 0.057 0.000 1.066 357 V CB -0.580 31.271 31.823 0.047 0.000 0.667 357 V HN 0.528 nan 8.190 nan 0.000 0.461 358 K N -0.106 120.322 120.400 0.046 0.000 2.032 358 K HA -0.214 4.104 4.320 -0.004 0.000 0.209 358 K C 2.151 178.771 176.600 0.034 0.000 1.048 358 K CA 2.161 58.471 56.287 0.038 0.000 0.927 358 K CB -0.317 32.208 32.500 0.042 0.000 0.712 358 K HN 0.505 nan 8.250 nan 0.000 0.441 359 L N 0.914 122.169 121.223 0.053 0.000 2.005 359 L HA -0.116 4.222 4.340 -0.004 0.000 0.207 359 L C 2.048 178.904 176.870 -0.024 0.000 1.072 359 L CA 1.477 56.340 54.840 0.037 0.000 0.744 359 L CB -0.557 41.563 42.059 0.102 0.000 0.895 359 L HN 0.029 nan 8.230 nan 0.000 0.433 360 V N -0.270 119.629 119.914 -0.025 0.000 2.407 360 V HA -0.284 3.834 4.120 -0.004 0.000 0.248 360 V C 2.647 178.693 176.094 -0.081 0.000 1.055 360 V CA 1.911 64.155 62.300 -0.093 0.000 1.049 360 V CB -0.791 30.999 31.823 -0.054 0.000 0.662 360 V HN 0.444 nan 8.190 nan 0.000 0.455 361 K N 0.167 120.546 120.400 -0.035 0.000 2.057 361 K HA -0.128 4.190 4.320 -0.004 0.000 0.207 361 K C 2.234 178.817 176.600 -0.029 0.000 1.049 361 K CA 1.497 57.765 56.287 -0.031 0.000 0.931 361 K CB -0.562 31.936 32.500 -0.004 0.000 0.714 361 K HN 0.558 nan 8.250 nan 0.000 0.440 362 G N 0.823 109.613 108.800 -0.017 0.000 2.404 362 G HA2 -0.192 3.766 3.960 -0.004 0.000 0.215 362 G HA3 -0.192 3.766 3.960 -0.004 0.000 0.215 362 G C 1.449 176.348 174.900 -0.002 0.000 1.174 362 G CA 0.416 45.516 45.100 0.001 0.000 0.780 362 G HN 0.105 nan 8.290 nan 0.000 0.537 363 L N -0.410 120.786 121.223 -0.046 0.000 2.068 363 L HA 0.157 4.495 4.340 -0.004 0.000 0.204 363 L C 0.502 177.310 176.870 -0.103 0.000 1.076 363 L CA 0.495 55.298 54.840 -0.062 0.000 0.753 363 L CB -0.069 41.913 42.059 -0.127 0.000 0.910 363 L HN 0.076 nan 8.230 nan 0.000 0.439 364 L N 0.774 121.874 121.223 -0.204 0.000 2.495 364 L HA 0.245 4.583 4.340 -0.004 0.000 0.248 364 L C -1.558 175.148 176.870 -0.273 0.000 1.229 364 L CA -1.230 53.418 54.840 -0.321 0.000 0.942 364 L CB 0.165 41.913 42.059 -0.518 0.000 1.242 364 L HN -0.106 nan 8.230 nan 0.000 0.484 365 P HA -0.213 nan 4.420 nan 0.000 0.215 365 P C 1.454 178.580 177.300 -0.290 0.000 1.153 365 P CA 1.198 64.182 63.100 -0.195 0.000 0.853 365 P CB 0.548 32.199 31.700 -0.080 0.000 0.788 366 R N -0.273 119.866 120.500 -0.602 0.000 2.115 366 R HA -0.119 4.218 4.340 -0.004 0.000 0.230 366 R C 2.515 178.556 176.300 -0.432 0.000 1.111 366 R CA 1.513 57.287 56.100 -0.543 0.000 0.976 366 R CB -1.620 28.191 30.300 -0.815 0.000 0.870 366 R HN 0.322 nan 8.270 nan 0.000 0.445 367 H N -0.925 117.888 119.070 -0.428 0.000 2.389 367 H HA -0.055 4.499 4.556 -0.004 0.000 0.299 367 H C 1.737 176.988 175.328 -0.129 0.000 1.081 367 H CA 1.500 57.399 56.048 -0.248 0.000 1.345 367 H CB 0.076 29.655 29.762 -0.306 0.000 1.393 367 H HN 0.153 nan 8.280 nan 0.000 0.520 368 M N 1.188 120.770 119.600 -0.031 0.000 2.117 368 M HA -0.157 4.321 4.480 -0.004 0.000 0.262 368 M C 2.108 178.413 176.300 0.010 0.000 1.065 368 M CA 1.410 56.708 55.300 -0.004 0.000 1.114 368 M CB -0.651 31.935 32.600 -0.022 0.000 1.361 368 M HN 0.342 nan 8.290 nan 0.000 0.408 369 Q N -0.371 119.415 119.800 -0.023 0.000 2.030 369 Q HA -0.178 4.160 4.340 -0.004 0.000 0.204 369 Q C 2.081 178.104 176.000 0.039 0.000 0.986 369 Q CA 1.602 57.402 55.803 -0.004 0.000 0.843 369 Q CB -0.242 28.482 28.738 -0.024 0.000 0.904 369 Q HN 0.504 nan 8.270 nan 0.000 0.420 370 I N 0.494 121.104 120.570 0.066 0.000 2.226 370 I HA -0.285 3.882 4.170 -0.004 0.000 0.245 370 I C 2.246 178.506 176.117 0.239 0.000 1.100 370 I CA 1.130 62.553 61.300 0.204 0.000 1.374 370 I CB -0.291 37.816 38.000 0.179 0.000 1.057 370 I HN 0.213 nan 8.210 nan 0.000 0.413 371 I N 0.748 121.416 120.570 0.164 0.000 2.286 371 I HA -0.276 3.892 4.170 -0.004 0.000 0.248 371 I C 2.198 178.410 176.117 0.158 0.000 1.115 371 I CA 1.124 62.527 61.300 0.172 0.000 1.392 371 I CB -0.470 37.607 38.000 0.129 0.000 1.065 371 I HN 0.311 nan 8.210 nan 0.000 0.418 372 N N 0.625 119.390 118.700 0.108 0.000 2.188 372 N HA -0.210 4.527 4.740 -0.004 0.000 0.184 372 N C 1.806 177.347 175.510 0.051 0.000 1.018 372 N CA 1.192 54.296 53.050 0.090 0.000 0.858 372 N CB -0.183 38.335 38.487 0.053 0.000 0.989 372 N HN 0.350 nan 8.380 nan 0.000 0.426 373 E N 1.211 121.401 120.200 -0.016 0.000 2.077 373 E HA -0.034 4.314 4.350 -0.004 0.000 0.193 373 E C 1.959 178.447 176.600 -0.187 0.000 0.989 373 E CA 0.867 57.133 56.400 -0.224 0.000 0.800 373 E CB -0.305 29.110 29.700 -0.474 0.000 0.746 373 E HN 0.334 nan 8.360 nan 0.000 0.452 374 I N 0.581 121.204 120.570 0.088 0.000 2.226 374 I HA -0.271 3.897 4.170 -0.004 0.000 0.245 374 I C 2.310 178.557 176.117 0.217 0.000 1.100 374 I CA 1.390 62.814 61.300 0.206 0.000 1.374 374 I CB -0.431 37.770 38.000 0.335 0.000 1.057 374 I HN 0.230 nan 8.210 nan 0.000 0.413 375 N N 0.468 119.321 118.700 0.255 0.000 2.058 375 N HA -0.174 4.564 4.740 -0.004 0.000 0.191 375 N C 1.764 177.505 175.510 0.384 0.000 1.037 375 N CA 2.167 55.462 53.050 0.408 0.000 0.848 375 N CB -0.186 38.519 38.487 0.363 0.000 1.021 375 N HN 0.153 nan 8.380 nan 0.000 0.422 376 T N 0.422 115.078 114.554 0.170 0.000 2.652 376 T HA -0.121 4.227 4.350 -0.004 0.000 0.267 376 T C 1.885 176.583 174.700 -0.002 0.000 1.039 376 T CA 1.380 63.507 62.100 0.045 0.000 1.153 376 T CB -0.224 68.617 68.868 -0.045 0.000 0.863 376 T HN 0.301 nan 8.240 nan 0.000 0.428 377 R N -0.109 120.370 120.500 -0.035 0.000 2.081 377 R HA -0.009 4.329 4.340 -0.004 0.000 0.235 377 R C 2.226 178.586 176.300 0.101 0.000 1.131 377 R CA 1.250 57.318 56.100 -0.052 0.000 0.960 377 R CB -0.514 29.676 30.300 -0.183 0.000 0.856 377 R HN 0.328 nan 8.270 nan 0.000 0.436 378 F N 2.578 122.575 119.950 0.078 0.000 2.171 378 F HA -0.169 4.356 4.527 -0.004 0.000 0.300 378 F C 2.194 178.132 175.800 0.230 0.000 1.090 378 F CA 1.439 59.574 58.000 0.225 0.000 1.293 378 F CB -0.232 38.990 39.000 0.370 0.000 1.013 378 F HN -0.228 nan 8.300 nan 0.000 0.486 379 K N 0.321 120.725 120.400 0.007 0.000 2.160 379 K HA -0.151 4.167 4.320 -0.004 0.000 0.206 379 K C 1.864 178.214 176.600 -0.417 0.000 1.047 379 K CA 2.172 58.116 56.287 -0.570 0.000 0.930 379 K CB -1.008 31.006 32.500 -0.811 0.000 0.720 379 K HN 0.303 nan 8.250 nan 0.000 0.450 380 T N 1.670 116.093 114.554 -0.218 0.000 2.746 380 T HA -0.122 4.226 4.350 -0.004 0.000 0.267 380 T C 1.448 176.066 174.700 -0.137 0.000 1.039 380 T CA 1.296 63.300 62.100 -0.160 0.000 1.142 380 T CB -0.223 68.590 68.868 -0.091 0.000 0.866 380 T HN 0.171 nan 8.240 nan 0.000 0.444 381 L N 1.563 122.724 121.223 -0.104 0.000 2.056 381 L HA -0.014 4.323 4.340 -0.004 0.000 0.207 381 L C 2.366 179.148 176.870 -0.147 0.000 1.078 381 L CA 1.587 56.389 54.840 -0.064 0.000 0.749 381 L CB -0.995 41.121 42.059 0.094 0.000 0.901 381 L HN 0.158 nan 8.230 nan 0.000 0.433 382 V N 1.295 121.057 119.914 -0.253 0.000 2.427 382 V HA -0.217 3.901 4.120 -0.004 0.000 0.248 382 V C 2.488 178.554 176.094 -0.046 0.000 1.051 382 V CA 1.697 63.925 62.300 -0.120 0.000 1.048 382 V CB -0.715 31.072 31.823 -0.061 0.000 0.666 382 V HN 0.592 nan 8.190 nan 0.000 0.456 383 E N 0.995 121.105 120.200 -0.150 0.000 2.427 383 E HA -0.187 4.161 4.350 -0.004 0.000 0.196 383 E C 1.881 178.425 176.600 -0.093 0.000 1.028 383 E CA 1.142 57.472 56.400 -0.115 0.000 0.864 383 E CB -0.328 29.257 29.700 -0.191 0.000 0.813 383 E HN 0.567 nan 8.360 nan 0.000 0.514 384 K N -0.419 119.911 120.400 -0.116 0.000 2.356 384 K HA 0.117 4.435 4.320 -0.004 0.000 0.195 384 K C 1.015 177.510 176.600 -0.175 0.000 1.037 384 K CA 0.906 57.123 56.287 -0.118 0.000 1.014 384 K CB 0.296 32.736 32.500 -0.100 0.000 0.815 384 K HN 0.120 nan 8.250 nan 0.000 0.507 385 T N -0.678 113.724 114.554 -0.253 0.000 3.021 385 T HA 0.059 4.406 4.350 -0.004 0.000 0.245 385 T C -0.084 174.260 174.700 -0.593 0.000 1.028 385 T CA 0.313 62.084 62.100 -0.549 0.000 1.139 385 T CB 0.166 68.494 68.868 -0.899 0.000 0.884 385 T HN 0.221 nan 8.240 nan 0.000 0.457 386 W N 3.650 124.913 121.300 -0.062 0.000 1.683 386 W HA 0.314 4.972 4.660 -0.004 0.000 0.295 386 W C -2.899 173.589 176.519 -0.052 0.000 0.865 386 W CA -2.794 54.522 57.345 -0.050 0.000 2.079 386 W CB -0.220 29.214 29.460 -0.043 0.000 2.263 386 W HN 0.069 nan 8.180 nan 0.000 0.427 387 P HA -0.018 nan 4.420 nan 0.000 0.261 387 P C 1.129 178.456 177.300 0.044 0.000 1.173 387 P CA 1.894 65.011 63.100 0.028 0.000 0.760 387 P CB 0.957 32.652 31.700 -0.009 0.000 0.783 388 G N 2.454 111.264 108.800 0.017 0.000 2.284 388 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.261 388 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.261 388 G C 0.314 175.238 174.900 0.040 0.000 0.997 388 G CA 0.315 45.426 45.100 0.018 0.000 0.621 388 G HN 0.665 nan 8.290 nan 0.000 0.534 389 D N 1.362 121.804 120.400 0.070 0.000 2.416 389 D HA 0.280 4.918 4.640 -0.004 0.000 0.240 389 D C 1.435 177.783 176.300 0.080 0.000 1.250 389 D CA -0.182 53.853 54.000 0.059 0.000 0.967 389 D CB 0.341 41.172 40.800 0.051 0.000 1.059 389 D HN 0.337 nan 8.370 nan 0.000 0.512 390 E N 2.466 122.716 120.200 0.084 0.000 2.347 390 E HA -0.098 4.250 4.350 -0.004 0.000 0.196 390 E C 1.558 178.227 176.600 0.115 0.000 1.008 390 E CA 0.373 56.867 56.400 0.156 0.000 0.852 390 E CB 0.343 30.129 29.700 0.144 0.000 0.783 390 E HN 0.414 nan 8.360 nan 0.000 0.505 391 K N 0.538 120.950 120.400 0.020 0.000 2.026 391 K HA -0.051 4.267 4.320 -0.004 0.000 0.208 391 K C 2.203 178.730 176.600 -0.123 0.000 1.048 391 K CA 0.601 56.854 56.287 -0.057 0.000 0.929 391 K CB -0.485 31.966 32.500 -0.082 0.000 0.713 391 K HN 0.035 nan 8.250 nan 0.000 0.439 392 V N 0.632 120.463 119.914 -0.138 0.000 2.358 392 V HA -0.216 3.901 4.120 -0.004 0.000 0.246 392 V C 2.140 178.171 176.094 -0.105 0.000 1.047 392 V CA 1.491 63.645 62.300 -0.243 0.000 1.035 392 V CB -0.535 31.038 31.823 -0.417 0.000 0.658 392 V HN 0.479 nan 8.190 nan 0.000 0.452 393 W N 1.230 122.449 121.300 -0.135 0.000 2.335 393 W HA -0.274 4.384 4.660 -0.004 0.000 0.311 393 W C 2.438 178.876 176.519 -0.134 0.000 1.213 393 W CA 1.794 59.099 57.345 -0.067 0.000 1.274 393 W CB -0.236 29.231 29.460 0.012 0.000 1.148 393 W HN 0.293 nan 8.180 nan 0.000 0.498 394 A N 0.654 123.254 122.820 -0.367 0.000 2.032 394 A HA -0.290 4.028 4.320 -0.004 0.000 0.221 394 A C 1.994 179.098 177.584 -0.799 0.000 1.165 394 A CA 2.246 53.709 52.037 -0.957 0.000 0.645 394 A CB -0.831 17.814 19.000 -0.592 0.000 0.807 394 A HN 0.460 nan 8.150 nan 0.000 0.453 395 K N -0.772 119.327 120.400 -0.502 0.000 2.166 395 K HA 0.196 4.514 4.320 -0.004 0.000 0.201 395 K C 1.529 177.896 176.600 -0.389 0.000 1.052 395 K CA 0.562 56.599 56.287 -0.417 0.000 0.969 395 K CB -0.089 32.213 32.500 -0.329 0.000 0.761 395 K HN 0.480 nan 8.250 nan 0.000 0.459 396 L N 0.926 121.931 121.223 -0.364 0.000 2.477 396 L HA 0.234 4.572 4.340 -0.004 0.000 0.220 396 L C 0.866 177.730 176.870 -0.010 0.000 1.106 396 L CA -0.361 54.373 54.840 -0.177 0.000 0.851 396 L CB -0.128 41.920 42.059 -0.018 0.000 0.994 396 L HN 0.067 nan 8.230 nan 0.000 0.462 397 A N 0.342 122.769 122.820 -0.654 0.000 2.555 397 A HA 0.133 4.450 4.320 -0.004 0.000 0.233 397 A C 1.276 178.804 177.584 -0.093 0.000 1.060 397 A CA 0.020 51.550 52.037 -0.845 0.000 0.759 397 A CB 0.555 18.759 19.000 -1.328 0.000 0.995 397 A HN 0.001 nan 8.150 nan 0.000 0.506 398 V N 2.169 122.165 119.914 0.136 0.000 2.649 398 V HA -0.024 4.094 4.120 -0.004 0.000 0.248 398 V C 0.480 176.730 176.094 0.261 0.000 1.054 398 V CA 1.258 63.691 62.300 0.222 0.000 1.073 398 V CB 0.004 31.959 31.823 0.221 0.000 0.699 398 V HN 0.570 nan 8.190 nan 0.000 0.463 399 V N 1.123 121.186 119.914 0.249 0.000 2.483 399 V HA 0.575 4.693 4.120 -0.004 0.000 0.297 399 V C -0.796 175.463 176.094 0.275 0.000 1.027 399 V CA -0.581 61.862 62.300 0.239 0.000 0.855 399 V CB 1.633 33.572 31.823 0.194 0.000 0.995 399 V HN 0.437 nan 8.190 nan 0.000 0.424 400 H N 3.866 123.043 119.070 0.178 0.000 3.086 400 H HA 0.231 4.785 4.556 -0.004 0.000 0.353 400 H C -0.873 174.550 175.328 0.158 0.000 1.134 400 H CA -0.281 55.851 56.048 0.140 0.000 1.248 400 H CB 2.201 31.974 29.762 0.018 0.000 1.878 400 H HN 0.820 nan 8.280 nan 0.000 0.527 401 D N 4.329 124.690 120.400 -0.065 0.000 2.723 401 D HA -0.177 4.461 4.640 -0.004 0.000 0.236 401 D C -0.037 176.293 176.300 0.050 0.000 1.138 401 D CA 1.275 55.297 54.000 0.038 0.000 0.676 401 D CB -0.586 40.325 40.800 0.183 0.000 1.069 401 D HN 0.790 nan 8.370 nan 0.000 0.430 402 K N -1.519 118.897 120.400 0.026 0.000 3.069 402 K HA -0.278 4.040 4.320 -0.004 0.000 0.267 402 K C 0.257 176.876 176.600 0.030 0.000 1.082 402 K CA 1.036 57.342 56.287 0.032 0.000 0.782 402 K CB -1.063 31.454 32.500 0.028 0.000 1.230 402 K HN 0.515 nan 8.250 nan 0.000 0.488 403 Q N 0.011 119.821 119.800 0.017 0.000 2.359 403 Q HA 0.468 4.806 4.340 -0.004 0.000 0.274 403 Q C -0.936 174.968 176.000 -0.159 0.000 1.074 403 Q CA -0.924 54.829 55.803 -0.083 0.000 0.810 403 Q CB 2.986 31.613 28.738 -0.185 0.000 1.342 403 Q HN 0.039 nan 8.270 nan 0.000 0.427 404 V N 2.756 122.597 119.914 -0.121 0.000 2.383 404 V HA 0.217 4.335 4.120 -0.004 0.000 0.275 404 V C -0.418 175.565 176.094 -0.185 0.000 1.036 404 V CA -0.630 61.644 62.300 -0.044 0.000 0.889 404 V CB 0.919 32.809 31.823 0.112 0.000 0.985 404 V HN 0.692 nan 8.190 nan 0.000 0.459 405 H N 6.634 125.762 119.070 0.097 0.000 2.787 405 H HA 0.246 4.800 4.556 -0.004 0.000 0.275 405 H C 0.702 176.074 175.328 0.074 0.000 1.183 405 H CA -0.649 55.440 56.048 0.069 0.000 1.290 405 H CB 1.301 31.102 29.762 0.065 0.000 1.438 405 H HN 0.533 nan 8.280 nan 0.000 0.487 406 M N 1.454 121.130 119.600 0.127 0.000 2.149 406 M HA -0.142 4.336 4.480 -0.004 0.000 0.261 406 M C 2.313 178.615 176.300 0.005 0.000 1.064 406 M CA 1.046 56.405 55.300 0.099 0.000 1.102 406 M CB -0.993 31.701 32.600 0.155 0.000 1.369 406 M HN 0.612 nan 8.290 nan 0.000 0.408 407 A N 0.565 123.420 122.820 0.059 0.000 1.898 407 A HA -0.168 4.150 4.320 -0.004 0.000 0.216 407 A C 2.060 179.608 177.584 -0.061 0.000 1.181 407 A CA 1.860 53.908 52.037 0.018 0.000 0.620 407 A CB -1.028 18.162 19.000 0.316 0.000 0.819 407 A HN 0.640 nan 8.150 nan 0.000 0.442 408 N N -0.489 118.280 118.700 0.115 0.000 2.120 408 N HA -0.150 4.587 4.740 -0.004 0.000 0.188 408 N C 1.644 177.061 175.510 -0.154 0.000 1.024 408 N CA 1.244 54.344 53.050 0.084 0.000 0.852 408 N CB -0.216 38.439 38.487 0.281 0.000 1.003 408 N HN 0.385 nan 8.380 nan 0.000 0.424 409 L N 1.114 122.289 121.223 -0.080 0.000 2.131 409 L HA -0.088 4.250 4.340 -0.004 0.000 0.210 409 L C 2.027 178.750 176.870 -0.245 0.000 1.092 409 L CA 1.425 56.201 54.840 -0.106 0.000 0.759 409 L CB -0.636 41.413 42.059 -0.017 0.000 0.903 409 L HN 0.225 nan 8.230 nan 0.000 0.435 410 C N -1.902 117.164 119.300 -0.389 0.000 2.446 410 C HA -0.082 4.376 4.460 -0.004 0.000 0.277 410 C C 2.701 177.365 174.990 -0.544 0.000 1.275 410 C CA 0.879 59.560 59.018 -0.562 0.000 1.727 410 C CB -0.663 26.414 27.740 -1.105 0.000 2.010 410 C HN 0.465 nan 8.230 nan 0.000 0.486 411 V N 0.375 119.899 119.914 -0.650 0.000 2.427 411 V HA -0.138 3.980 4.120 -0.004 0.000 0.248 411 V C 2.334 178.100 176.094 -0.547 0.000 1.051 411 V CA 1.764 63.675 62.300 -0.649 0.000 1.048 411 V CB -0.573 30.651 31.823 -0.999 0.000 0.666 411 V HN 0.450 nan 8.190 nan 0.000 0.456 412 V N 0.796 120.401 119.914 -0.515 0.000 2.453 412 V HA -0.043 4.075 4.120 -0.004 0.000 0.247 412 V C 2.393 178.387 176.094 -0.167 0.000 1.048 412 V CA 1.964 64.026 62.300 -0.396 0.000 1.049 412 V CB -0.805 30.752 31.823 -0.443 0.000 0.672 412 V HN 0.605 nan 8.190 nan 0.000 0.457 413 G N -0.721 107.977 108.800 -0.170 0.000 2.939 413 G HA2 0.347 4.305 3.960 -0.004 0.000 0.210 413 G HA3 0.347 4.305 3.960 -0.004 0.000 0.210 413 G C 0.609 175.311 174.900 -0.330 0.000 1.160 413 G CA 0.647 45.608 45.100 -0.231 0.000 0.770 413 G HN 0.609 nan 8.290 nan 0.000 0.543 414 G N -0.542 108.094 108.800 -0.273 0.000 2.667 414 G HA2 0.471 4.428 3.960 -0.004 0.000 0.310 414 G HA3 0.471 4.428 3.960 -0.004 0.000 0.310 414 G C 0.181 174.962 174.900 -0.197 0.000 1.259 414 G CA -0.711 44.279 45.100 -0.184 0.000 1.019 414 G HN 0.261 nan 8.290 nan 0.000 0.496 415 F N -1.788 118.092 119.950 -0.117 0.000 2.678 415 F HA 0.751 5.275 4.527 -0.004 0.000 0.305 415 F C 0.435 176.207 175.800 -0.047 0.000 1.090 415 F CA -0.477 57.455 58.000 -0.114 0.000 1.272 415 F CB 0.323 39.280 39.000 -0.072 0.000 1.060 415 F HN 0.554 nan 8.300 nan 0.000 0.576 416 A N 0.485 122.883 122.820 -0.703 0.000 2.574 416 A HA 0.757 5.074 4.320 -0.004 0.000 0.297 416 A C -1.666 175.728 177.584 -0.317 0.000 1.062 416 A CA -0.676 51.107 52.037 -0.423 0.000 0.686 416 A CB 1.546 20.207 19.000 -0.564 0.000 1.285 416 A HN 0.060 nan 8.150 nan 0.000 0.403 417 V N 3.297 123.076 119.914 -0.224 0.000 2.760 417 V HA 0.675 4.793 4.120 -0.004 0.000 0.309 417 V C -0.833 175.225 176.094 -0.060 0.000 1.077 417 V CA -0.685 61.483 62.300 -0.220 0.000 0.910 417 V CB 2.053 33.576 31.823 -0.500 0.000 1.008 417 V HN 1.103 nan 8.190 nan 0.000 0.424 418 N N 2.308 120.964 118.700 -0.074 0.000 2.396 418 N HA 0.579 5.317 4.740 -0.004 0.000 0.275 418 N C -0.496 174.985 175.510 -0.048 0.000 1.218 418 N CA -0.319 52.727 53.050 -0.008 0.000 0.812 418 N CB 2.660 41.126 38.487 -0.035 0.000 1.592 418 N HN 0.716 nan 8.380 nan 0.000 0.480 419 G N -0.878 107.914 108.800 -0.013 0.000 2.552 419 G HA2 0.465 4.423 3.960 -0.004 0.000 0.318 419 G HA3 0.465 4.423 3.960 -0.004 0.000 0.318 419 G C 0.753 175.728 174.900 0.126 0.000 1.240 419 G CA -0.377 44.747 45.100 0.041 0.000 1.002 419 G HN 0.692 nan 8.290 nan 0.000 0.493 420 V N -3.816 116.274 119.914 0.294 0.000 3.578 420 V HA 0.687 4.805 4.120 -0.004 0.000 0.290 420 V C 0.582 176.765 176.094 0.148 0.000 1.376 420 V CA 0.422 62.819 62.300 0.162 0.000 1.083 420 V CB -0.654 31.239 31.823 0.117 0.000 0.911 420 V HN 1.321 nan 8.190 nan 0.000 0.433 421 A N -0.711 122.207 122.820 0.164 0.000 2.594 421 A HA 0.858 5.175 4.320 -0.004 0.000 0.296 421 A C 0.845 178.490 177.584 0.102 0.000 1.061 421 A CA 0.019 52.130 52.037 0.124 0.000 0.689 421 A CB 1.077 20.143 19.000 0.110 0.000 1.280 421 A HN 0.899 nan 8.150 nan 0.000 0.406 422 A N 0.879 123.740 122.820 0.068 0.000 1.881 422 A HA -0.132 4.186 4.320 -0.004 0.000 0.219 422 A C 2.035 179.636 177.584 0.028 0.000 1.215 422 A CA 2.519 54.578 52.037 0.036 0.000 0.648 422 A CB -0.865 18.153 19.000 0.029 0.000 0.832 422 A HN 1.999 nan 8.150 nan 0.000 0.455 423 L N -0.513 120.734 121.223 0.040 0.000 2.012 423 L HA -0.231 4.107 4.340 -0.004 0.000 0.210 423 L C 2.384 179.278 176.870 0.040 0.000 1.073 423 L CA 2.994 57.850 54.840 0.026 0.000 0.748 423 L CB -1.185 40.889 42.059 0.025 0.000 0.891 423 L HN 0.670 nan 8.230 nan 0.000 0.431 424 H N -1.011 118.044 119.070 -0.025 0.000 2.293 424 H HA -0.131 4.423 4.556 -0.004 0.000 0.300 424 H C 2.023 177.338 175.328 -0.021 0.000 1.082 424 H CA 1.643 57.671 56.048 -0.032 0.000 1.308 424 H CB 0.189 29.933 29.762 -0.029 0.000 1.375 424 H HN 0.455 nan 8.280 nan 0.000 0.495 425 S N 0.109 115.715 115.700 -0.157 0.000 2.420 425 S HA -0.170 4.298 4.470 -0.004 0.000 0.237 425 S C 1.661 176.172 174.600 -0.149 0.000 1.023 425 S CA 1.582 59.673 58.200 -0.182 0.000 0.991 425 S CB -0.293 62.881 63.200 -0.043 0.000 0.792 425 S HN 0.563 nan 8.310 nan 0.000 0.488 426 D N 1.044 121.373 120.400 -0.117 0.000 2.162 426 D HA 0.027 4.665 4.640 -0.004 0.000 0.203 426 D C 1.728 177.940 176.300 -0.146 0.000 0.967 426 D CA 0.690 54.619 54.000 -0.118 0.000 0.840 426 D CB -0.113 40.642 40.800 -0.076 0.000 0.972 426 D HN 0.300 nan 8.370 nan 0.000 0.482 427 L N -0.301 120.835 121.223 -0.145 0.000 2.217 427 L HA -0.049 4.288 4.340 -0.004 0.000 0.211 427 L C 2.355 179.115 176.870 -0.183 0.000 1.107 427 L CA 0.189 54.946 54.840 -0.139 0.000 0.783 427 L CB -0.131 41.876 42.059 -0.087 0.000 0.919 427 L HN 0.028 nan 8.230 nan 0.000 0.442 428 V N -0.687 119.080 119.914 -0.245 0.000 2.407 428 V HA -0.226 3.891 4.120 -0.004 0.000 0.248 428 V C 2.283 178.353 176.094 -0.040 0.000 1.055 428 V CA 1.401 63.601 62.300 -0.167 0.000 1.049 428 V CB 0.053 31.789 31.823 -0.145 0.000 0.662 428 V HN 0.206 nan 8.190 nan 0.000 0.455 429 V N -0.751 119.074 119.914 -0.149 0.000 2.500 429 V HA -0.063 4.055 4.120 -0.004 0.000 0.243 429 V C 2.470 178.401 176.094 -0.271 0.000 1.039 429 V CA 1.268 63.364 62.300 -0.340 0.000 1.053 429 V CB -0.388 31.031 31.823 -0.673 0.000 0.695 429 V HN 0.435 nan 8.190 nan 0.000 0.463 430 K N 0.172 120.445 120.400 -0.213 0.000 2.031 430 K HA -0.055 4.262 4.320 -0.004 0.000 0.205 430 K C 1.661 178.186 176.600 -0.126 0.000 1.049 430 K CA 1.412 57.608 56.287 -0.151 0.000 0.939 430 K CB -0.432 31.993 32.500 -0.125 0.000 0.717 430 K HN 0.438 nan 8.250 nan 0.000 0.438 431 D N 0.213 120.531 120.400 -0.136 0.000 2.369 431 D HA -0.030 4.608 4.640 -0.004 0.000 0.231 431 D C 1.987 178.180 176.300 -0.179 0.000 0.967 431 D CA 0.206 54.123 54.000 -0.138 0.000 0.905 431 D CB -0.258 40.466 40.800 -0.127 0.000 1.044 431 D HN -0.062 nan 8.370 nan 0.000 0.487 432 L N -0.312 120.761 121.223 -0.250 0.000 2.034 432 L HA 0.085 4.422 4.340 -0.004 0.000 0.203 432 L C 0.664 177.253 176.870 -0.470 0.000 1.074 432 L CA 1.647 56.205 54.840 -0.471 0.000 0.748 432 L CB -0.284 41.348 42.059 -0.712 0.000 0.905 432 L HN -0.107 nan 8.230 nan 0.000 0.439 433 F N 0.178 120.189 119.950 0.102 0.000 2.831 433 F HA 0.329 4.854 4.527 -0.004 0.000 0.355 433 F C -1.430 174.390 175.800 0.033 0.000 1.341 433 F CA -1.441 56.676 58.000 0.195 0.000 1.201 433 F CB -0.138 39.186 39.000 0.539 0.000 1.058 433 F HN 0.076 nan 8.300 nan 0.000 0.514 434 P HA -0.213 nan 4.420 nan 0.000 0.215 434 P C 0.970 178.290 177.300 0.033 0.000 1.157 434 P CA 1.788 64.890 63.100 0.002 0.000 0.874 434 P CB 0.411 32.077 31.700 -0.057 0.000 0.790 435 E N -0.341 119.829 120.200 -0.051 0.000 2.038 435 E HA -0.188 4.160 4.350 -0.004 0.000 0.195 435 E C 2.354 178.991 176.600 0.062 0.000 1.000 435 E CA 1.423 57.768 56.400 -0.092 0.000 0.803 435 E CB -1.457 28.032 29.700 -0.350 0.000 0.750 435 E HN 0.451 nan 8.360 nan 0.000 0.448 436 Y N -0.186 120.211 120.300 0.161 0.000 2.207 436 Y HA -0.243 4.305 4.550 -0.004 0.000 0.287 436 Y C 2.622 178.618 175.900 0.161 0.000 1.156 436 Y CA 1.396 59.590 58.100 0.155 0.000 1.182 436 Y CB -0.160 38.567 38.460 0.445 0.000 0.979 436 Y HN 0.308 nan 8.280 nan 0.000 0.521 437 H N 0.408 119.488 119.070 0.017 0.000 2.457 437 H HA -0.172 4.382 4.556 -0.004 0.000 0.294 437 H C 2.047 177.336 175.328 -0.066 0.000 1.064 437 H CA 1.414 57.240 56.048 -0.369 0.000 1.330 437 H CB 0.129 29.468 29.762 -0.705 0.000 1.395 437 H HN 0.448 nan 8.280 nan 0.000 0.541 438 Q N 0.287 120.048 119.800 -0.066 0.000 2.123 438 Q HA -0.061 4.276 4.340 -0.004 0.000 0.199 438 Q C 2.537 178.474 176.000 -0.104 0.000 0.966 438 Q CA 0.748 56.515 55.803 -0.061 0.000 0.845 438 Q CB 0.303 29.132 28.738 0.151 0.000 0.907 438 Q HN 0.492 nan 8.270 nan 0.000 0.439 439 L N -0.966 120.159 121.223 -0.164 0.000 2.044 439 L HA -0.063 4.275 4.340 -0.004 0.000 0.205 439 L C 0.590 177.234 176.870 -0.377 0.000 1.075 439 L CA 0.532 55.096 54.840 -0.460 0.000 0.747 439 L CB -0.048 41.420 42.059 -0.986 0.000 0.903 439 L HN 0.324 nan 8.230 nan 0.000 0.435 440 W N 0.430 121.880 121.300 0.251 0.000 2.148 440 W HA 0.308 4.966 4.660 -0.003 0.000 0.288 440 W C -1.930 174.753 176.519 0.273 0.000 0.920 440 W CA -2.076 55.415 57.345 0.243 0.000 1.904 440 W CB -0.500 29.132 29.460 0.286 0.000 2.083 440 W HN -0.016 nan 8.180 nan 0.000 0.398 441 P HA -0.204 nan 4.420 nan 0.000 0.218 441 P C 0.971 178.422 177.300 0.252 0.000 1.148 441 P CA 1.582 64.659 63.100 -0.038 0.000 0.822 441 P CB 0.421 31.964 31.700 -0.262 0.000 0.784 442 N N 0.463 119.295 118.700 0.221 0.000 2.521 442 N HA -0.059 4.678 4.740 -0.004 0.000 0.188 442 N C 1.614 177.180 175.510 0.092 0.000 1.146 442 N CA 0.634 53.771 53.050 0.145 0.000 0.893 442 N CB -0.181 38.384 38.487 0.131 0.000 0.975 442 N HN 0.499 nan 8.380 nan 0.000 0.451 443 K N -0.435 120.089 120.400 0.206 0.000 2.404 443 K HA 0.087 4.405 4.320 -0.004 0.000 0.194 443 K C -0.345 176.131 176.600 -0.208 0.000 1.023 443 K CA -0.025 56.292 56.287 0.051 0.000 1.094 443 K CB 0.082 32.596 32.500 0.024 0.000 0.841 443 K HN -0.184 nan 8.250 nan 0.000 0.523 444 F N 2.419 122.298 119.950 -0.118 0.000 2.408 444 F HA 0.382 4.907 4.527 -0.003 0.000 0.344 444 F C 0.694 176.280 175.800 -0.357 0.000 1.112 444 F CA -0.501 57.455 58.000 -0.073 0.000 1.096 444 F CB 0.830 39.904 39.000 0.123 0.000 1.129 444 F HN 0.019 nan 8.300 nan 0.000 0.486 445 H N 1.017 120.159 119.070 0.120 0.000 2.960 445 H HA 0.388 4.942 4.556 -0.004 0.000 0.303 445 H C -1.169 174.148 175.328 -0.018 0.000 1.412 445 H CA -1.150 54.917 56.048 0.032 0.000 1.227 445 H CB 2.399 32.133 29.762 -0.048 0.000 1.912 445 H HN 0.476 nan 8.280 nan 0.000 0.583 446 N N 0.415 119.166 118.700 0.084 0.000 2.235 446 N HA 0.337 5.075 4.740 -0.004 0.000 0.293 446 N C -1.891 173.540 175.510 -0.132 0.000 1.083 446 N CA -0.356 52.684 53.050 -0.017 0.000 0.801 446 N CB 2.889 41.373 38.487 -0.005 0.000 1.559 446 N HN 0.254 nan 8.380 nan 0.000 0.472 447 V N 2.280 122.080 119.914 -0.190 0.000 2.555 447 V HA 0.188 4.305 4.120 -0.004 0.000 0.283 447 V C -0.157 175.876 176.094 -0.103 0.000 1.020 447 V CA -0.626 61.480 62.300 -0.323 0.000 0.883 447 V CB 1.338 32.617 31.823 -0.907 0.000 1.030 447 V HN 0.697 nan 8.190 nan 0.000 0.448 448 T N 4.716 119.254 114.554 -0.026 0.000 2.902 448 T HA 0.123 4.471 4.350 -0.004 0.000 0.301 448 T C 0.637 175.442 174.700 0.175 0.000 1.012 448 T CA 0.165 62.318 62.100 0.089 0.000 1.151 448 T CB 0.128 69.054 68.868 0.097 0.000 0.946 448 T HN 0.600 nan 8.240 nan 0.000 0.542 449 N N 1.135 119.981 118.700 0.244 0.000 2.231 449 N HA 0.454 5.191 4.740 -0.004 0.000 0.223 449 N C 0.539 176.253 175.510 0.340 0.000 1.329 449 N CA 0.238 53.486 53.050 0.330 0.000 0.889 449 N CB 0.374 38.997 38.487 0.225 0.000 1.125 449 N HN 0.878 nan 8.380 nan 0.000 0.447 450 G N -1.445 107.579 108.800 0.372 0.000 2.608 450 G HA2 0.595 4.553 3.960 -0.004 0.000 0.291 450 G HA3 0.595 4.553 3.960 -0.004 0.000 0.291 450 G C -1.509 173.561 174.900 0.283 0.000 1.425 450 G CA -0.621 44.680 45.100 0.334 0.000 0.787 450 G HN 0.540 nan 8.290 nan 0.000 0.484 451 I N -2.457 118.261 120.570 0.247 0.000 2.865 451 I HA 0.771 4.939 4.170 -0.004 0.000 0.302 451 I C -0.042 176.261 176.117 0.311 0.000 1.140 451 I CA -1.083 60.359 61.300 0.238 0.000 1.021 451 I CB 2.038 40.068 38.000 0.050 0.000 1.233 451 I HN 0.495 nan 8.210 nan 0.000 0.427 452 T N 4.458 119.248 114.554 0.392 0.000 2.851 452 T HA 0.418 4.766 4.350 -0.004 0.000 0.298 452 T C -1.507 173.358 174.700 0.273 0.000 0.977 452 T CA -1.432 60.830 62.100 0.270 0.000 1.126 452 T CB 0.699 69.667 68.868 0.167 0.000 0.916 452 T HN 0.680 nan 8.240 nan 0.000 0.529 453 P HA 0.049 nan 4.420 nan 0.000 0.233 453 P C 1.111 178.454 177.300 0.073 0.000 1.167 453 P CA 0.310 63.529 63.100 0.199 0.000 0.770 453 P CB 0.391 32.230 31.700 0.233 0.000 0.837 454 R N 0.581 121.029 120.500 -0.087 0.000 2.064 454 R HA -0.024 4.314 4.340 -0.004 0.000 0.228 454 R C 2.734 178.941 176.300 -0.154 0.000 1.144 454 R CA 1.659 57.637 56.100 -0.204 0.000 0.932 454 R CB -1.186 28.967 30.300 -0.245 0.000 0.833 454 R HN 0.062 nan 8.270 nan 0.000 0.429 455 R N -0.739 119.620 120.500 -0.235 0.000 2.075 455 R HA -0.119 4.219 4.340 -0.004 0.000 0.232 455 R C 1.473 177.479 176.300 -0.490 0.000 1.126 455 R CA 1.653 57.477 56.100 -0.460 0.000 0.963 455 R CB -0.259 29.594 30.300 -0.746 0.000 0.858 455 R HN 0.299 nan 8.270 nan 0.000 0.435 456 W N -0.278 121.035 121.300 0.023 0.000 3.180 456 W HA 0.208 4.866 4.660 -0.004 0.000 0.254 456 W C 1.281 177.829 176.519 0.049 0.000 1.318 456 W CA -0.229 57.137 57.345 0.034 0.000 1.608 456 W CB 0.339 29.825 29.460 0.044 0.000 1.124 456 W HN 0.136 nan 8.180 nan 0.000 0.694 457 I N -2.009 118.693 120.570 0.220 0.000 3.859 457 I HA -0.021 4.147 4.170 -0.004 0.000 0.266 457 I C 2.086 178.314 176.117 0.186 0.000 1.132 457 I CA -0.074 61.350 61.300 0.206 0.000 1.361 457 I CB -0.225 37.937 38.000 0.269 0.000 1.690 457 I HN -0.396 nan 8.210 nan 0.000 0.424 458 K N 1.239 121.767 120.400 0.212 0.000 2.032 458 K HA -0.243 4.075 4.320 -0.004 0.000 0.209 458 K C 2.128 178.727 176.600 -0.001 0.000 1.048 458 K CA 2.023 58.389 56.287 0.131 0.000 0.927 458 K CB 0.063 32.542 32.500 -0.034 0.000 0.712 458 K HN 0.222 nan 8.250 nan 0.000 0.441 459 Q N -0.135 119.627 119.800 -0.063 0.000 2.008 459 Q HA -0.133 4.204 4.340 -0.004 0.000 0.196 459 Q C 2.370 178.311 176.000 -0.099 0.000 0.973 459 Q CA 1.697 57.429 55.803 -0.118 0.000 0.826 459 Q CB 0.019 28.658 28.738 -0.166 0.000 0.894 459 Q HN 0.635 nan 8.270 nan 0.000 0.439 460 C N -0.059 119.193 119.300 -0.080 0.000 2.481 460 C HA 0.228 4.686 4.460 -0.004 0.000 0.275 460 C C 1.069 176.054 174.990 -0.008 0.000 1.419 460 C CA -0.203 58.789 59.018 -0.042 0.000 1.773 460 C CB -0.659 27.080 27.740 -0.002 0.000 1.862 460 C HN 0.336 nan 8.230 nan 0.000 0.530 461 N N 1.098 119.801 118.700 0.006 0.000 2.723 461 N HA 0.316 5.054 4.740 -0.004 0.000 0.290 461 N C -2.017 173.487 175.510 -0.011 0.000 1.882 461 N CA -1.700 51.346 53.050 -0.007 0.000 0.851 461 N CB 0.589 39.075 38.487 -0.001 0.000 1.234 461 N HN 0.135 nan 8.380 nan 0.000 0.491 462 P HA -0.178 nan 4.420 nan 0.000 0.214 462 P C 1.109 178.398 177.300 -0.018 0.000 1.169 462 P CA 1.750 64.833 63.100 -0.027 0.000 0.908 462 P CB 0.328 31.991 31.700 -0.062 0.000 0.791 463 A N -0.933 121.861 122.820 -0.044 0.000 1.883 463 A HA -0.207 4.111 4.320 -0.004 0.000 0.217 463 A C 2.186 179.721 177.584 -0.082 0.000 1.186 463 A CA 1.824 53.824 52.037 -0.060 0.000 0.624 463 A CB -1.730 17.222 19.000 -0.080 0.000 0.822 463 A HN 0.192 nan 8.150 nan 0.000 0.444 464 L N -0.304 120.855 121.223 -0.107 0.000 2.083 464 L HA -0.034 4.304 4.340 -0.004 0.000 0.209 464 L C 2.617 179.422 176.870 -0.108 0.000 1.083 464 L CA 2.188 56.938 54.840 -0.150 0.000 0.752 464 L CB -0.797 41.154 42.059 -0.179 0.000 0.899 464 L HN 0.335 nan 8.230 nan 0.000 0.433 465 A N -0.504 122.314 122.820 -0.004 0.000 1.933 465 A HA -0.067 4.251 4.320 -0.004 0.000 0.218 465 A C 2.447 180.157 177.584 0.209 0.000 1.175 465 A CA 1.687 53.838 52.037 0.190 0.000 0.628 465 A CB -1.081 18.128 19.000 0.347 0.000 0.814 465 A HN 0.578 nan 8.150 nan 0.000 0.444 466 A N -0.536 122.339 122.820 0.092 0.000 1.898 466 A HA -0.004 4.314 4.320 -0.004 0.000 0.216 466 A C 2.103 179.712 177.584 0.041 0.000 1.181 466 A CA 1.669 53.751 52.037 0.075 0.000 0.620 466 A CB -0.591 18.424 19.000 0.025 0.000 0.819 466 A HN 0.638 nan 8.150 nan 0.000 0.442 467 L N -0.116 121.090 121.223 -0.028 0.000 2.083 467 L HA -0.087 4.251 4.340 -0.004 0.000 0.209 467 L C 2.255 179.089 176.870 -0.059 0.000 1.083 467 L CA 1.558 56.360 54.840 -0.063 0.000 0.752 467 L CB -0.524 41.445 42.059 -0.149 0.000 0.899 467 L HN 0.409 nan 8.230 nan 0.000 0.433 468 L N -0.888 120.259 121.223 -0.127 0.000 2.046 468 L HA -0.213 4.125 4.340 -0.004 0.000 0.208 468 L C 2.303 179.157 176.870 -0.027 0.000 1.077 468 L CA 1.305 55.977 54.840 -0.281 0.000 0.747 468 L CB -0.900 40.612 42.059 -0.912 0.000 0.896 468 L HN 0.272 nan 8.230 nan 0.000 0.432 469 D N 0.726 121.267 120.400 0.235 0.000 2.106 469 D HA -0.226 4.412 4.640 -0.004 0.000 0.191 469 D C 2.093 178.487 176.300 0.156 0.000 0.997 469 D CA 1.858 56.051 54.000 0.321 0.000 0.834 469 D CB -0.150 40.815 40.800 0.274 0.000 0.956 469 D HN 0.464 nan 8.370 nan 0.000 0.448 470 K N 0.201 120.655 120.400 0.090 0.000 2.217 470 K HA 0.083 4.401 4.320 -0.004 0.000 0.202 470 K C 1.921 178.546 176.600 0.040 0.000 1.051 470 K CA 1.004 57.332 56.287 0.067 0.000 0.952 470 K CB 0.053 32.588 32.500 0.058 0.000 0.736 470 K HN -0.153 nan 8.250 nan 0.000 0.453 471 S N 0.375 116.044 115.700 -0.052 0.000 2.446 471 S HA 0.096 4.564 4.470 -0.004 0.000 0.225 471 S C 0.007 174.531 174.600 -0.128 0.000 1.016 471 S CA 0.205 58.248 58.200 -0.262 0.000 0.943 471 S CB 0.083 62.863 63.200 -0.700 0.000 0.786 471 S HN 0.106 nan 8.310 nan 0.000 0.508 472 L N 2.113 123.324 121.223 -0.021 0.000 2.316 472 L HA 0.471 4.809 4.340 -0.004 0.000 0.280 472 L C 0.032 176.980 176.870 0.130 0.000 1.006 472 L CA -0.235 54.651 54.840 0.078 0.000 0.836 472 L CB 1.327 43.442 42.059 0.094 0.000 1.221 472 L HN -0.117 nan 8.230 nan 0.000 0.418 473 Q N 2.935 122.807 119.800 0.119 0.000 2.600 473 Q HA 0.222 4.560 4.340 -0.004 0.000 0.276 473 Q C -0.481 175.581 176.000 0.105 0.000 1.006 473 Q CA 0.439 56.306 55.803 0.106 0.000 0.942 473 Q CB -0.173 28.618 28.738 0.089 0.000 1.383 473 Q HN 0.376 nan 8.270 nan 0.000 0.414 474 K N -0.452 120.030 120.400 0.137 0.000 2.562 474 K HA 0.186 4.504 4.320 -0.004 0.000 0.267 474 K C -1.363 175.332 176.600 0.159 0.000 0.938 474 K CA -0.797 55.564 56.287 0.123 0.000 0.840 474 K CB 1.419 33.986 32.500 0.113 0.000 1.390 474 K HN -0.024 nan 8.250 nan 0.000 0.428 475 E N 3.174 123.419 120.200 0.076 0.000 2.415 475 E HA -0.035 4.313 4.350 -0.004 0.000 0.263 475 E C 0.102 176.714 176.600 0.020 0.000 0.995 475 E CA 0.328 56.712 56.400 -0.028 0.000 0.915 475 E CB 0.323 30.001 29.700 -0.037 0.000 0.951 475 E HN 0.592 nan 8.360 nan 0.000 0.449 476 W N 3.596 124.921 121.300 0.040 0.000 2.865 476 W HA 0.371 5.029 4.660 -0.003 0.000 0.300 476 W C 0.970 177.479 176.519 -0.015 0.000 1.096 476 W CA 0.311 57.666 57.345 0.018 0.000 1.524 476 W CB -0.613 28.856 29.460 0.015 0.000 0.991 476 W HN 0.590 nan 8.180 nan 0.000 0.571 477 A N 3.085 125.334 122.820 -0.951 0.000 2.032 477 A HA -0.283 4.035 4.320 -0.004 0.000 0.221 477 A C 1.414 178.709 177.584 -0.482 0.000 1.165 477 A CA 2.164 53.634 52.037 -0.945 0.000 0.645 477 A CB -1.037 17.174 19.000 -1.316 0.000 0.807 477 A HN 0.442 nan 8.150 nan 0.000 0.453 478 N N -1.884 116.666 118.700 -0.249 0.000 2.433 478 N HA 0.228 4.966 4.740 -0.004 0.000 0.270 478 N C -0.833 174.678 175.510 0.002 0.000 1.354 478 N CA 0.255 53.252 53.050 -0.088 0.000 0.889 478 N CB 0.459 38.969 38.487 0.039 0.000 1.285 478 N HN 0.140 nan 8.380 nan 0.000 0.503 479 D N 0.100 120.520 120.400 0.033 0.000 3.784 479 D HA 0.040 4.678 4.640 -0.004 0.000 0.261 479 D C 0.409 176.785 176.300 0.127 0.000 1.391 479 D CA -0.386 53.655 54.000 0.070 0.000 0.797 479 D CB -0.128 40.712 40.800 0.067 0.000 1.391 479 D HN -0.019 nan 8.370 nan 0.000 0.734 480 L N 0.788 122.093 121.223 0.137 0.000 2.189 480 L HA -0.075 4.263 4.340 -0.004 0.000 0.214 480 L C 1.414 178.358 176.870 0.123 0.000 1.097 480 L CA 1.785 56.734 54.840 0.181 0.000 0.764 480 L CB -0.168 41.988 42.059 0.162 0.000 0.900 480 L HN 0.241 nan 8.230 nan 0.000 0.436 481 D N -0.963 119.483 120.400 0.077 0.000 2.309 481 D HA -0.173 4.464 4.640 -0.004 0.000 0.212 481 D C 1.924 178.259 176.300 0.058 0.000 0.968 481 D CA 0.576 54.603 54.000 0.045 0.000 0.882 481 D CB 0.095 40.907 40.800 0.020 0.000 0.918 481 D HN 0.477 nan 8.370 nan 0.000 0.503 482 Q N 0.061 119.918 119.800 0.096 0.000 2.291 482 Q HA -0.100 4.238 4.340 -0.004 0.000 0.206 482 Q C 2.126 178.171 176.000 0.075 0.000 0.976 482 Q CA 0.237 56.102 55.803 0.102 0.000 0.875 482 Q CB -0.195 28.642 28.738 0.165 0.000 0.927 482 Q HN 0.298 nan 8.270 nan 0.000 0.450 483 L N 0.335 121.595 121.223 0.062 0.000 2.261 483 L HA -0.160 4.178 4.340 -0.004 0.000 0.216 483 L C 2.061 178.930 176.870 -0.001 0.000 1.114 483 L CA 0.834 55.675 54.840 0.001 0.000 0.777 483 L CB -0.623 41.435 42.059 -0.001 0.000 0.910 483 L HN 0.167 nan 8.230 nan 0.000 0.440 484 I N -0.326 120.252 120.570 0.013 0.000 2.454 484 I HA -0.276 3.892 4.170 -0.004 0.000 0.254 484 I C 1.769 177.890 176.117 0.007 0.000 1.156 484 I CA 1.284 62.587 61.300 0.004 0.000 1.433 484 I CB -0.424 37.577 38.000 0.002 0.000 1.082 484 I HN 0.330 nan 8.210 nan 0.000 0.432 485 N N -0.295 118.421 118.700 0.027 0.000 2.609 485 N HA -0.030 4.707 4.740 -0.004 0.000 0.190 485 N C 1.567 177.141 175.510 0.106 0.000 1.157 485 N CA 0.384 53.467 53.050 0.056 0.000 0.918 485 N CB -0.121 38.415 38.487 0.081 0.000 0.978 485 N HN 0.382 nan 8.380 nan 0.000 0.448 486 L N 0.363 121.611 121.223 0.043 0.000 2.395 486 L HA -0.024 4.314 4.340 -0.004 0.000 0.218 486 L C 1.775 178.648 176.870 0.006 0.000 1.130 486 L CA 0.667 55.522 54.840 0.024 0.000 0.826 486 L CB -0.148 41.855 42.059 -0.093 0.000 0.941 486 L HN 0.286 nan 8.230 nan 0.000 0.451 487 E N 0.894 121.078 120.200 -0.026 0.000 2.086 487 E HA -0.309 4.039 4.350 -0.004 0.000 0.200 487 E C 2.040 178.573 176.600 -0.112 0.000 1.012 487 E CA 1.962 58.321 56.400 -0.070 0.000 0.812 487 E CB -0.096 29.568 29.700 -0.060 0.000 0.743 487 E HN 0.568 nan 8.360 nan 0.000 0.453 488 K N 0.322 120.637 120.400 -0.142 0.000 2.147 488 K HA -0.146 4.172 4.320 -0.004 0.000 0.205 488 K C 1.811 178.181 176.600 -0.383 0.000 1.049 488 K CA 1.522 57.647 56.287 -0.270 0.000 0.936 488 K CB -0.425 31.859 32.500 -0.360 0.000 0.722 488 K HN 0.055 nan 8.250 nan 0.000 0.446 489 F N 2.032 121.736 119.950 -0.411 0.000 2.365 489 F HA 0.004 4.529 4.527 -0.004 0.000 0.300 489 F C 2.573 178.074 175.800 -0.497 0.000 1.090 489 F CA 0.813 58.413 58.000 -0.665 0.000 1.408 489 F CB -0.329 37.758 39.000 -1.523 0.000 1.060 489 F HN 0.132 nan 8.300 nan 0.000 0.534 490 A N -0.411 122.295 122.820 -0.191 0.000 2.125 490 A HA -0.167 4.151 4.320 -0.004 0.000 0.219 490 A C 1.703 179.260 177.584 -0.046 0.000 1.156 490 A CA 1.847 53.832 52.037 -0.087 0.000 0.671 490 A CB -0.526 18.410 19.000 -0.107 0.000 0.794 490 A HN 0.238 nan 8.150 nan 0.000 0.459 491 D N -0.369 119.980 120.400 -0.084 0.000 2.327 491 D HA 0.014 4.651 4.640 -0.004 0.000 0.205 491 D C 0.076 176.358 176.300 -0.029 0.000 0.989 491 D CA 0.271 54.233 54.000 -0.064 0.000 0.873 491 D CB -0.129 40.612 40.800 -0.099 0.000 0.955 491 D HN 0.342 nan 8.370 nan 0.000 0.515 492 D N 0.509 120.899 120.400 -0.017 0.000 2.342 492 D HA 0.159 4.797 4.640 -0.004 0.000 0.260 492 D C 1.171 177.553 176.300 0.136 0.000 1.278 492 D CA -0.114 53.920 54.000 0.057 0.000 0.910 492 D CB 1.094 41.961 40.800 0.112 0.000 1.079 492 D HN -0.031 nan 8.370 nan 0.000 0.496 493 A N 5.243 128.113 122.820 0.084 0.000 1.940 493 A HA -0.226 4.092 4.320 -0.004 0.000 0.219 493 A C 2.038 179.687 177.584 0.109 0.000 1.176 493 A CA 1.659 53.745 52.037 0.082 0.000 0.631 493 A CB -0.387 18.641 19.000 0.047 0.000 0.814 493 A HN 0.661 nan 8.150 nan 0.000 0.446 494 K N -1.552 118.922 120.400 0.123 0.000 2.025 494 K HA -0.161 4.157 4.320 -0.004 0.000 0.207 494 K C 1.858 178.557 176.600 0.166 0.000 1.049 494 K CA 1.667 58.027 56.287 0.122 0.000 0.933 494 K CB -0.361 32.211 32.500 0.120 0.000 0.714 494 K HN 0.395 nan 8.250 nan 0.000 0.438 495 F N 2.072 122.082 119.950 0.100 0.000 2.134 495 F HA -0.142 4.383 4.527 -0.004 0.000 0.299 495 F C 2.106 177.969 175.800 0.104 0.000 1.097 495 F CA 1.450 59.525 58.000 0.124 0.000 1.264 495 F CB -0.060 39.075 39.000 0.224 0.000 1.001 495 F HN -0.023 nan 8.300 nan 0.000 0.479 496 R N -0.052 120.640 120.500 0.319 0.000 2.105 496 R HA -0.207 4.131 4.340 -0.004 0.000 0.239 496 R C 1.885 178.235 176.300 0.084 0.000 1.135 496 R CA 1.708 57.920 56.100 0.187 0.000 0.967 496 R CB -0.787 29.601 30.300 0.147 0.000 0.861 496 R HN 0.360 nan 8.270 nan 0.000 0.442 497 D N 0.513 120.945 120.400 0.053 0.000 2.097 497 D HA -0.137 4.501 4.640 -0.004 0.000 0.197 497 D C 1.864 178.146 176.300 -0.029 0.000 0.984 497 D CA 1.280 55.290 54.000 0.017 0.000 0.826 497 D CB 0.142 40.952 40.800 0.018 0.000 0.973 497 D HN 0.180 nan 8.370 nan 0.000 0.460 498 Q N -1.206 118.544 119.800 -0.085 0.000 2.084 498 Q HA -0.187 4.150 4.340 -0.004 0.000 0.202 498 Q C 1.948 177.837 176.000 -0.186 0.000 0.978 498 Q CA 1.240 56.953 55.803 -0.150 0.000 0.844 498 Q CB -0.300 28.311 28.738 -0.212 0.000 0.898 498 Q HN 0.462 nan 8.270 nan 0.000 0.426 499 Y N 1.368 121.426 120.300 -0.403 0.000 2.145 499 Y HA -0.254 4.294 4.550 -0.004 0.000 0.286 499 Y C 2.511 178.322 175.900 -0.147 0.000 1.145 499 Y CA 1.806 59.705 58.100 -0.335 0.000 1.148 499 Y CB -0.011 38.236 38.460 -0.356 0.000 0.981 499 Y HN -0.081 nan 8.280 nan 0.000 0.507 500 R N 0.396 120.964 120.500 0.114 0.000 2.096 500 R HA -0.190 4.148 4.340 -0.004 0.000 0.235 500 R C 2.061 178.334 176.300 -0.045 0.000 1.127 500 R CA 1.981 58.123 56.100 0.069 0.000 0.968 500 R CB -0.271 30.073 30.300 0.074 0.000 0.861 500 R HN 0.469 nan 8.270 nan 0.000 0.440 501 E N 0.139 120.299 120.200 -0.066 0.000 2.150 501 E HA -0.157 4.191 4.350 -0.004 0.000 0.193 501 E C 1.953 178.487 176.600 -0.110 0.000 0.985 501 E CA 1.291 57.643 56.400 -0.080 0.000 0.814 501 E CB -0.007 29.652 29.700 -0.069 0.000 0.752 501 E HN 0.418 nan 8.360 nan 0.000 0.466 502 I N 0.823 121.297 120.570 -0.160 0.000 2.252 502 I HA -0.254 3.914 4.170 -0.004 0.000 0.245 502 I C 2.397 178.406 176.117 -0.179 0.000 1.102 502 I CA 0.874 62.064 61.300 -0.184 0.000 1.385 502 I CB -0.143 37.696 38.000 -0.268 0.000 1.064 502 I HN -0.008 nan 8.210 nan 0.000 0.414 503 K N 1.498 121.772 120.400 -0.211 0.000 2.032 503 K HA -0.263 4.055 4.320 -0.004 0.000 0.209 503 K C 2.188 178.706 176.600 -0.136 0.000 1.048 503 K CA 1.890 58.080 56.287 -0.161 0.000 0.927 503 K CB -0.533 31.902 32.500 -0.108 0.000 0.712 503 K HN 0.426 nan 8.250 nan 0.000 0.441 504 Q N -0.099 119.626 119.800 -0.126 0.000 2.096 504 Q HA -0.174 4.164 4.340 -0.004 0.000 0.204 504 Q C 1.869 177.802 176.000 -0.113 0.000 0.982 504 Q CA 2.040 57.763 55.803 -0.135 0.000 0.850 504 Q CB -0.425 28.252 28.738 -0.101 0.000 0.901 504 Q HN 0.311 nan 8.270 nan 0.000 0.422 505 A N 1.518 124.286 122.820 -0.088 0.000 1.933 505 A HA -0.203 4.115 4.320 -0.004 0.000 0.218 505 A C 1.864 179.421 177.584 -0.046 0.000 1.175 505 A CA 1.557 53.558 52.037 -0.059 0.000 0.628 505 A CB -0.603 18.363 19.000 -0.057 0.000 0.814 505 A HN 0.513 nan 8.150 nan 0.000 0.444 506 N N 0.144 118.806 118.700 -0.062 0.000 2.120 506 N HA -0.128 4.609 4.740 -0.004 0.000 0.188 506 N C 1.601 177.112 175.510 0.001 0.000 1.024 506 N CA 1.576 54.607 53.050 -0.031 0.000 0.852 506 N CB -0.352 38.109 38.487 -0.044 0.000 1.003 506 N HN 0.573 nan 8.380 nan 0.000 0.424 507 K N 0.393 120.748 120.400 -0.075 0.000 2.057 507 K HA -0.012 4.306 4.320 -0.004 0.000 0.207 507 K C 1.987 178.625 176.600 0.063 0.000 1.049 507 K CA 0.664 56.880 56.287 -0.118 0.000 0.931 507 K CB -0.124 32.007 32.500 -0.615 0.000 0.714 507 K HN -0.054 nan 8.250 nan 0.000 0.440 508 V N 1.138 121.059 119.914 0.011 0.000 2.343 508 V HA -0.245 3.873 4.120 -0.004 0.000 0.247 508 V C 2.229 178.385 176.094 0.104 0.000 1.051 508 V CA 1.668 64.005 62.300 0.062 0.000 1.036 508 V CB -0.399 31.438 31.823 0.022 0.000 0.654 508 V HN 0.248 nan 8.190 nan 0.000 0.451 509 R N -0.804 119.746 120.500 0.084 0.000 2.096 509 R HA -0.132 4.206 4.340 -0.004 0.000 0.235 509 R C 2.146 178.544 176.300 0.163 0.000 1.127 509 R CA 1.297 57.456 56.100 0.097 0.000 0.968 509 R CB -0.411 29.920 30.300 0.053 0.000 0.861 509 R HN 0.397 nan 8.270 nan 0.000 0.440 510 L N 0.317 121.663 121.223 0.205 0.000 2.056 510 L HA -0.041 4.296 4.340 -0.004 0.000 0.207 510 L C 2.109 179.152 176.870 0.289 0.000 1.078 510 L CA 1.962 56.974 54.840 0.287 0.000 0.749 510 L CB -0.734 41.530 42.059 0.340 0.000 0.901 510 L HN 0.144 nan 8.230 nan 0.000 0.433 511 A N -0.471 122.510 122.820 0.268 0.000 1.892 511 A HA -0.279 4.039 4.320 -0.004 0.000 0.218 511 A C 2.118 179.791 177.584 0.149 0.000 1.188 511 A CA 2.108 54.261 52.037 0.193 0.000 0.631 511 A CB -0.710 18.412 19.000 0.203 0.000 0.822 511 A HN 0.651 nan 8.150 nan 0.000 0.447 512 E N -1.529 118.768 120.200 0.162 0.000 2.051 512 E HA -0.186 4.162 4.350 -0.004 0.000 0.192 512 E C 1.831 178.540 176.600 0.182 0.000 0.991 512 E CA 1.331 57.817 56.400 0.143 0.000 0.799 512 E CB -0.336 29.445 29.700 0.135 0.000 0.748 512 E HN 0.667 nan 8.360 nan 0.000 0.449 513 F N 1.548 121.538 119.950 0.066 0.000 2.134 513 F HA -0.194 4.330 4.527 -0.004 0.000 0.299 513 F C 2.141 177.980 175.800 0.065 0.000 1.097 513 F CA 0.955 58.995 58.000 0.066 0.000 1.264 513 F CB -0.329 38.716 39.000 0.076 0.000 1.001 513 F HN -0.210 nan 8.300 nan 0.000 0.479 514 V N 0.514 120.453 119.914 0.041 0.000 2.407 514 V HA -0.297 3.821 4.120 -0.004 0.000 0.248 514 V C 2.446 178.492 176.094 -0.081 0.000 1.055 514 V CA 2.167 64.421 62.300 -0.076 0.000 1.049 514 V CB -0.665 31.157 31.823 -0.002 0.000 0.662 514 V HN 0.257 nan 8.190 nan 0.000 0.455 515 K N 0.340 120.729 120.400 -0.018 0.000 2.057 515 K HA -0.125 4.193 4.320 -0.004 0.000 0.207 515 K C 1.850 178.431 176.600 -0.033 0.000 1.049 515 K CA 1.792 58.074 56.287 -0.008 0.000 0.931 515 K CB -0.736 31.779 32.500 0.025 0.000 0.714 515 K HN 0.260 nan 8.250 nan 0.000 0.440 516 V N 1.355 121.238 119.914 -0.051 0.000 2.237 516 V HA -0.205 3.913 4.120 -0.004 0.000 0.245 516 V C 2.317 178.344 176.094 -0.113 0.000 1.046 516 V CA 2.173 64.437 62.300 -0.059 0.000 1.007 516 V CB -0.411 31.394 31.823 -0.031 0.000 0.638 516 V HN 0.337 nan 8.190 nan 0.000 0.445 517 R N -0.762 119.593 120.500 -0.242 0.000 2.276 517 R HA 0.013 4.351 4.340 -0.004 0.000 0.203 517 R C 1.628 177.866 176.300 -0.103 0.000 1.017 517 R CA 1.348 57.317 56.100 -0.218 0.000 1.010 517 R CB -0.064 29.992 30.300 -0.407 0.000 0.900 517 R HN 0.501 nan 8.270 nan 0.000 0.469 518 T N -2.238 112.271 114.554 -0.075 0.000 3.010 518 T HA 0.172 4.519 4.350 -0.004 0.000 0.253 518 T C 1.061 175.761 174.700 -0.001 0.000 0.939 518 T CA 0.545 62.638 62.100 -0.012 0.000 0.910 518 T CB 1.275 70.148 68.868 0.007 0.000 1.226 518 T HN 0.388 nan 8.240 nan 0.000 0.508 519 G N 1.952 110.745 108.800 -0.012 0.000 2.199 519 G HA2 -0.222 3.736 3.960 -0.004 0.000 0.254 519 G HA3 -0.222 3.736 3.960 -0.004 0.000 0.254 519 G C 0.140 175.042 174.900 0.004 0.000 0.982 519 G CA -0.006 45.094 45.100 0.000 0.000 0.632 519 G HN 0.552 nan 8.290 nan 0.000 0.529 520 I N 1.417 121.987 120.570 0.001 0.000 2.474 520 I HA 0.307 4.475 4.170 -0.004 0.000 0.287 520 I C 0.298 176.415 176.117 0.001 0.000 1.048 520 I CA -0.254 61.046 61.300 0.000 0.000 1.383 520 I CB 0.992 38.990 38.000 -0.003 0.000 1.412 520 I HN 0.104 nan 8.210 nan 0.000 0.531 521 E N 7.352 127.555 120.200 0.005 0.000 2.092 521 E HA 0.398 4.746 4.350 -0.004 0.000 0.271 521 E C -0.712 175.895 176.600 0.011 0.000 0.919 521 E CA -0.490 55.919 56.400 0.015 0.000 0.760 521 E CB 1.654 31.366 29.700 0.021 0.000 1.106 521 E HN 0.474 nan 8.360 nan 0.000 0.408 522 I N 0.390 120.967 120.570 0.013 0.000 2.525 522 I HA 0.391 4.559 4.170 -0.004 0.000 0.301 522 I C -0.224 175.947 176.117 0.090 0.000 0.992 522 I CA -0.864 60.438 61.300 0.004 0.000 1.162 522 I CB 1.556 39.486 38.000 -0.117 0.000 1.332 522 I HN 0.297 nan 8.210 nan 0.000 0.458 523 N N 6.766 125.531 118.700 0.108 0.000 2.408 523 N HA 0.291 5.029 4.740 -0.004 0.000 0.257 523 N C -1.714 173.948 175.510 0.254 0.000 1.064 523 N CA -1.852 51.281 53.050 0.137 0.000 0.952 523 N CB 1.137 39.671 38.487 0.079 0.000 1.093 523 N HN 0.525 nan 8.380 nan 0.000 0.490 524 P HA -0.110 nan 4.420 nan 0.000 0.239 524 P C 0.350 177.586 177.300 -0.106 0.000 1.184 524 P CA 0.832 63.944 63.100 0.020 0.000 0.760 524 P CB 0.411 32.099 31.700 -0.019 0.000 0.884 525 Q N -0.541 119.256 119.800 -0.005 0.000 2.424 525 Q HA 0.175 4.513 4.340 -0.004 0.000 0.204 525 Q C 1.196 177.191 176.000 -0.007 0.000 0.933 525 Q CA 0.127 55.920 55.803 -0.017 0.000 0.929 525 Q CB -0.082 28.658 28.738 0.002 0.000 1.037 525 Q HN 0.226 nan 8.270 nan 0.000 0.511 526 A N 0.713 123.545 122.820 0.019 0.000 2.271 526 A HA 0.461 4.779 4.320 -0.004 0.000 0.288 526 A C 0.031 177.546 177.584 -0.114 0.000 1.094 526 A CA -0.563 51.458 52.037 -0.026 0.000 0.828 526 A CB 0.336 19.358 19.000 0.037 0.000 1.091 526 A HN 0.224 nan 8.150 nan 0.000 0.493 527 I N 1.153 121.512 120.570 -0.352 0.000 2.533 527 I HA 0.048 4.215 4.170 -0.004 0.000 0.284 527 I C -0.780 175.267 176.117 -0.117 0.000 1.109 527 I CA 0.195 61.170 61.300 -0.542 0.000 1.412 527 I CB 0.133 37.641 38.000 -0.821 0.000 1.396 527 I HN 0.360 nan 8.210 nan 0.000 0.543 528 F N 4.995 124.750 119.950 -0.324 0.000 2.368 528 F HA 0.168 4.693 4.527 -0.004 0.000 0.362 528 F C 0.664 176.292 175.800 -0.286 0.000 1.137 528 F CA -0.926 56.922 58.000 -0.253 0.000 1.161 528 F CB -0.060 38.864 39.000 -0.128 0.000 1.265 528 F HN 0.381 nan 8.300 nan 0.000 0.530 529 D N 5.507 125.717 120.400 -0.317 0.000 2.380 529 D HA 0.275 4.913 4.640 -0.004 0.000 0.230 529 D C -0.370 175.753 176.300 -0.295 0.000 1.154 529 D CA -0.046 53.720 54.000 -0.390 0.000 0.859 529 D CB 0.563 40.834 40.800 -0.881 0.000 1.045 529 D HN 0.341 nan 8.370 nan 0.000 0.495 530 I N 3.246 123.706 120.570 -0.184 0.000 2.362 530 I HA 0.211 4.378 4.170 -0.004 0.000 0.289 530 I C 0.099 176.068 176.117 -0.246 0.000 0.994 530 I CA -0.690 60.482 61.300 -0.214 0.000 1.158 530 I CB 1.915 39.851 38.000 -0.106 0.000 1.315 530 I HN 0.193 nan 8.210 nan 0.000 0.451 531 Q N 8.400 127.955 119.800 -0.409 0.000 2.363 531 Q HA 0.564 4.902 4.340 -0.004 0.000 0.265 531 Q C -1.290 174.491 176.000 -0.365 0.000 1.032 531 Q CA -0.581 55.008 55.803 -0.358 0.000 0.746 531 Q CB 1.358 29.850 28.738 -0.410 0.000 1.237 531 Q HN 0.743 nan 8.270 nan 0.000 0.475 532 I N 2.596 122.976 120.570 -0.317 0.000 2.439 532 I HA 0.690 4.857 4.170 -0.004 0.000 0.285 532 I C -1.096 174.811 176.117 -0.349 0.000 1.021 532 I CA -0.682 60.314 61.300 -0.506 0.000 1.091 532 I CB 1.207 38.843 38.000 -0.607 0.000 1.242 532 I HN 0.479 nan 8.210 nan 0.000 0.439 533 K N 3.914 124.136 120.400 -0.296 0.000 2.999 533 K HA 0.350 4.667 4.320 -0.004 0.000 0.295 533 K C -1.409 175.193 176.600 0.004 0.000 1.082 533 K CA -1.010 55.246 56.287 -0.052 0.000 0.816 533 K CB 0.965 33.429 32.500 -0.060 0.000 1.492 533 K HN 0.705 nan 8.250 nan 0.000 0.362 534 R N 0.376 120.917 120.500 0.068 0.000 2.697 534 R HA 0.084 4.421 4.340 -0.004 0.000 0.265 534 R C 0.235 176.553 176.300 0.030 0.000 1.009 534 R CA -0.608 55.545 56.100 0.089 0.000 1.099 534 R CB 0.079 30.446 30.300 0.111 0.000 0.965 534 R HN 0.369 nan 8.270 nan 0.000 0.428 535 L N 4.325 125.577 121.223 0.048 0.000 2.315 535 L HA 0.160 4.498 4.340 -0.004 0.000 0.283 535 L C -0.544 176.263 176.870 -0.104 0.000 1.089 535 L CA 0.621 55.438 54.840 -0.037 0.000 0.833 535 L CB 0.001 42.042 42.059 -0.030 0.000 1.170 535 L HN 0.604 nan 8.230 nan 0.000 0.442 536 H N 3.487 122.405 119.070 -0.253 0.000 3.029 536 H HA 0.187 4.741 4.556 -0.004 0.000 0.358 536 H C 0.453 175.580 175.328 -0.335 0.000 1.129 536 H CA -0.358 55.545 56.048 -0.241 0.000 1.230 536 H CB 1.531 31.113 29.762 -0.300 0.000 1.827 536 H HN 0.685 nan 8.280 nan 0.000 0.530 537 E N 2.314 122.542 120.200 0.047 0.000 2.086 537 E HA -0.282 4.066 4.350 -0.004 0.000 0.200 537 E C 1.313 177.674 176.600 -0.398 0.000 1.012 537 E CA 2.133 58.449 56.400 -0.140 0.000 0.812 537 E CB -0.118 29.510 29.700 -0.120 0.000 0.743 537 E HN 0.623 nan 8.360 nan 0.000 0.453 538 Y N 0.973 120.915 120.300 -0.597 0.000 2.403 538 Y HA -0.085 4.462 4.550 -0.004 0.000 0.291 538 Y C 1.697 177.468 175.900 -0.216 0.000 1.143 538 Y CA 0.984 58.706 58.100 -0.630 0.000 1.257 538 Y CB -0.215 37.996 38.460 -0.415 0.000 0.984 538 Y HN -0.195 nan 8.280 nan 0.000 0.550 539 K N 0.787 120.827 120.400 -0.601 0.000 2.296 539 K HA 0.075 4.393 4.320 -0.004 0.000 0.200 539 K C 0.229 176.752 176.600 -0.129 0.000 1.048 539 K CA 0.650 56.711 56.287 -0.376 0.000 0.966 539 K CB -0.004 32.251 32.500 -0.408 0.000 0.754 539 K HN 0.258 nan 8.250 nan 0.000 0.466 540 R N 0.108 120.582 120.500 -0.043 0.000 3.267 540 R HA -0.233 4.104 4.340 -0.004 0.000 0.254 540 R C 0.113 176.474 176.300 0.102 0.000 0.993 540 R CA 0.240 56.380 56.100 0.067 0.000 0.670 540 R CB -2.043 28.192 30.300 -0.109 0.000 1.125 540 R HN 0.261 nan 8.270 nan 0.000 0.434 541 Q N 0.075 119.975 119.800 0.168 0.000 2.226 541 Q HA -0.136 4.202 4.340 -0.004 0.000 0.204 541 Q C 2.011 178.117 176.000 0.177 0.000 0.975 541 Q CA 1.776 57.676 55.803 0.162 0.000 0.866 541 Q CB -0.111 28.675 28.738 0.081 0.000 0.915 541 Q HN 0.688 nan 8.270 nan 0.000 0.440 542 H N -1.069 117.965 119.070 -0.058 0.000 2.524 542 H HA -0.024 4.530 4.556 -0.004 0.000 0.282 542 H C 1.738 177.064 175.328 -0.003 0.000 1.016 542 H CA 0.689 56.698 56.048 -0.064 0.000 1.270 542 H CB -0.400 29.323 29.762 -0.065 0.000 1.394 542 H HN 0.246 nan 8.280 nan 0.000 0.568 543 L N 1.307 122.446 121.223 -0.140 0.000 2.095 543 L HA 0.009 4.346 4.340 -0.004 0.000 0.204 543 L C 2.131 179.053 176.870 0.087 0.000 1.080 543 L CA 1.698 56.480 54.840 -0.097 0.000 0.759 543 L CB -0.991 40.921 42.059 -0.245 0.000 0.914 543 L HN 0.318 nan 8.230 nan 0.000 0.439 544 N N -0.818 117.934 118.700 0.087 0.000 2.069 544 N HA -0.268 4.470 4.740 -0.004 0.000 0.191 544 N C 1.989 177.603 175.510 0.173 0.000 1.031 544 N CA 1.509 54.708 53.050 0.248 0.000 0.852 544 N CB -0.214 38.428 38.487 0.258 0.000 1.018 544 N HN 0.354 nan 8.380 nan 0.000 0.423 545 L N 0.726 122.002 121.223 0.088 0.000 2.043 545 L HA -0.129 4.209 4.340 -0.004 0.000 0.212 545 L C 1.909 178.748 176.870 -0.052 0.000 1.075 545 L CA 1.389 56.188 54.840 -0.067 0.000 0.752 545 L CB -0.715 41.246 42.059 -0.163 0.000 0.891 545 L HN 0.261 nan 8.230 nan 0.000 0.432 546 L N -0.596 120.670 121.223 0.072 0.000 2.046 546 L HA -0.253 4.085 4.340 -0.004 0.000 0.208 546 L C 2.713 179.766 176.870 0.305 0.000 1.077 546 L CA 2.144 57.081 54.840 0.161 0.000 0.747 546 L CB -1.391 40.810 42.059 0.236 0.000 0.896 546 L HN 0.549 nan 8.230 nan 0.000 0.432 547 H N -0.672 118.544 119.070 0.243 0.000 2.389 547 H HA -0.095 4.459 4.556 -0.004 0.000 0.299 547 H C 2.285 177.552 175.328 -0.102 0.000 1.081 547 H CA 1.586 57.669 56.048 0.058 0.000 1.345 547 H CB 0.267 29.968 29.762 -0.102 0.000 1.393 547 H HN 0.305 nan 8.280 nan 0.000 0.520 548 I N 0.719 121.064 120.570 -0.374 0.000 2.286 548 I HA -0.277 3.891 4.170 -0.004 0.000 0.248 548 I C 2.584 178.531 176.117 -0.283 0.000 1.115 548 I CA 0.672 61.630 61.300 -0.569 0.000 1.392 548 I CB -0.169 37.454 38.000 -0.629 0.000 1.065 548 I HN 0.245 nan 8.210 nan 0.000 0.418 549 L N 0.384 121.512 121.223 -0.157 0.000 2.093 549 L HA -0.184 4.154 4.340 -0.004 0.000 0.208 549 L C 2.826 179.706 176.870 0.016 0.000 1.085 549 L CA 1.199 56.024 54.840 -0.025 0.000 0.755 549 L CB -0.579 41.452 42.059 -0.047 0.000 0.904 549 L HN 0.241 nan 8.230 nan 0.000 0.435 550 A N -0.150 122.657 122.820 -0.020 0.000 1.873 550 A HA -0.188 4.130 4.320 -0.004 0.000 0.215 550 A C 2.268 179.805 177.584 -0.079 0.000 1.186 550 A CA 1.259 53.299 52.037 0.005 0.000 0.616 550 A CB -0.680 18.381 19.000 0.101 0.000 0.823 550 A HN 0.342 nan 8.150 nan 0.000 0.442 551 L N -1.704 119.387 121.223 -0.220 0.000 2.042 551 L HA -0.204 4.134 4.340 -0.004 0.000 0.210 551 L C 2.593 179.472 176.870 0.015 0.000 1.076 551 L CA 1.961 56.712 54.840 -0.148 0.000 0.749 551 L CB -0.429 41.496 42.059 -0.223 0.000 0.893 551 L HN 0.617 nan 8.230 nan 0.000 0.432 552 Y N 1.026 121.260 120.300 -0.110 0.000 2.181 552 Y HA -0.315 4.233 4.550 -0.004 0.000 0.288 552 Y C 2.604 178.493 175.900 -0.017 0.000 1.146 552 Y CA 1.920 59.992 58.100 -0.047 0.000 1.164 552 Y CB -0.364 38.072 38.460 -0.040 0.000 0.982 552 Y HN 0.114 nan 8.280 nan 0.000 0.515 553 K N 0.410 120.739 120.400 -0.118 0.000 2.148 553 K HA -0.214 4.103 4.320 -0.004 0.000 0.204 553 K C 2.191 178.725 176.600 -0.110 0.000 1.050 553 K CA 1.545 57.719 56.287 -0.188 0.000 0.942 553 K CB -0.245 32.200 32.500 -0.092 0.000 0.724 553 K HN 0.550 nan 8.250 nan 0.000 0.446 554 E N 1.242 121.410 120.200 -0.052 0.000 2.072 554 E HA -0.169 4.179 4.350 -0.004 0.000 0.191 554 E C 2.023 178.609 176.600 -0.023 0.000 0.985 554 E CA 1.398 57.780 56.400 -0.029 0.000 0.801 554 E CB -0.228 29.463 29.700 -0.016 0.000 0.750 554 E HN 0.564 nan 8.360 nan 0.000 0.452 555 I N -2.020 118.547 120.570 -0.005 0.000 2.928 555 I HA 0.011 4.179 4.170 -0.004 0.000 0.266 555 I C 2.485 178.600 176.117 -0.002 0.000 1.234 555 I CA 0.533 61.843 61.300 0.016 0.000 1.483 555 I CB -0.164 37.871 38.000 0.060 0.000 1.097 555 I HN -0.026 nan 8.210 nan 0.000 0.455 556 R N 1.340 121.802 120.500 -0.063 0.000 2.080 556 R HA -0.001 4.337 4.340 -0.004 0.000 0.222 556 R C 2.039 178.288 176.300 -0.085 0.000 1.107 556 R CA 1.287 57.320 56.100 -0.112 0.000 0.980 556 R CB 0.126 30.235 30.300 -0.319 0.000 0.879 556 R HN 0.468 nan 8.270 nan 0.000 0.439 557 E N -0.107 120.043 120.200 -0.083 0.000 2.127 557 E HA -0.021 4.327 4.350 -0.004 0.000 0.191 557 E C 0.205 176.785 176.600 -0.034 0.000 0.964 557 E CA -0.004 56.362 56.400 -0.058 0.000 0.832 557 E CB 0.038 29.703 29.700 -0.058 0.000 0.790 557 E HN 0.126 nan 8.360 nan 0.000 0.465 558 N N 2.002 120.686 118.700 -0.027 0.000 2.408 558 N HA 0.025 4.763 4.740 -0.004 0.000 0.257 558 N C -1.649 173.856 175.510 -0.009 0.000 1.064 558 N CA -1.440 51.602 53.050 -0.014 0.000 0.952 558 N CB 1.342 39.823 38.487 -0.009 0.000 1.093 558 N HN -0.101 nan 8.380 nan 0.000 0.490 559 P HA -0.127 nan 4.420 nan 0.000 0.217 559 P C 0.804 178.105 177.300 0.001 0.000 1.151 559 P CA 1.056 64.155 63.100 -0.002 0.000 0.828 559 P CB 0.683 32.382 31.700 -0.003 0.000 0.788 560 Q N 0.306 120.106 119.800 0.001 0.000 3.007 560 Q HA 0.354 4.692 4.340 -0.004 0.000 0.263 560 Q C -0.005 175.997 176.000 0.004 0.000 1.155 560 Q CA 0.573 56.378 55.803 0.003 0.000 0.415 560 Q CB -0.706 28.034 28.738 0.003 0.000 5.520 560 Q HN 0.154 nan 8.270 nan 0.000 0.331 561 A N 2.524 125.347 122.820 0.004 0.000 1.815 561 A HA -0.133 4.185 4.320 -0.004 0.000 0.239 561 A C -0.498 177.090 177.584 0.006 0.000 1.327 561 A CA 0.882 52.922 52.037 0.005 0.000 0.710 561 A CB -2.002 16.999 19.000 0.003 0.000 1.192 561 A HN 0.561 nan 8.150 nan 0.000 0.255 562 D N 2.584 122.988 120.400 0.006 0.000 2.631 562 D HA 0.243 4.880 4.640 -0.004 0.000 0.227 562 D C 0.360 176.663 176.300 0.005 0.000 1.146 562 D CA -0.535 53.469 54.000 0.007 0.000 1.009 562 D CB 0.306 41.111 40.800 0.008 0.000 1.057 562 D HN 0.415 nan 8.370 nan 0.000 0.509 563 R N 0.504 121.006 120.500 0.002 0.000 2.590 563 R HA 0.165 4.503 4.340 -0.004 0.000 0.274 563 R C 0.297 176.589 176.300 -0.014 0.000 1.061 563 R CA -0.587 55.511 56.100 -0.005 0.000 1.081 563 R CB 0.839 31.138 30.300 -0.002 0.000 0.984 563 R HN 0.165 nan 8.270 nan 0.000 0.448 564 V N 5.740 125.635 119.914 -0.032 0.000 2.673 564 V HA 0.005 4.123 4.120 -0.004 0.000 0.303 564 V C -1.694 174.352 176.094 -0.081 0.000 1.046 564 V CA -0.829 61.439 62.300 -0.054 0.000 1.126 564 V CB 0.307 32.075 31.823 -0.091 0.000 0.934 564 V HN 0.614 nan 8.190 nan 0.000 0.487 565 P HA 0.261 nan 4.420 nan 0.000 0.267 565 P C -0.449 176.776 177.300 -0.125 0.000 1.200 565 P CA 0.073 63.138 63.100 -0.060 0.000 0.772 565 P CB 0.478 32.159 31.700 -0.031 0.000 0.855 566 R N 0.749 121.185 120.500 -0.105 0.000 2.740 566 R HA 0.621 4.959 4.340 -0.004 0.000 0.273 566 R C -1.600 174.590 176.300 -0.182 0.000 0.998 566 R CA -1.032 54.936 56.100 -0.220 0.000 0.900 566 R CB 2.107 32.194 30.300 -0.356 0.000 1.223 566 R HN 0.144 nan 8.270 nan 0.000 0.466 567 V N 3.170 122.907 119.914 -0.295 0.000 2.349 567 V HA 0.384 4.501 4.120 -0.004 0.000 0.284 567 V C -0.957 174.888 176.094 -0.414 0.000 1.014 567 V CA -0.629 61.500 62.300 -0.284 0.000 0.826 567 V CB 1.051 32.610 31.823 -0.440 0.000 1.009 567 V HN 0.524 nan 8.190 nan 0.000 0.431 568 F N 5.563 125.408 119.950 -0.175 0.000 2.404 568 F HA 0.582 5.106 4.527 -0.004 0.000 0.358 568 F C 0.022 175.677 175.800 -0.243 0.000 1.120 568 F CA -0.318 57.554 58.000 -0.214 0.000 1.144 568 F CB 1.141 40.068 39.000 -0.121 0.000 1.133 568 F HN 0.247 nan 8.300 nan 0.000 0.495 569 L N 4.562 125.640 121.223 -0.242 0.000 2.322 569 L HA 0.532 4.870 4.340 -0.004 0.000 0.281 569 L C -0.835 175.789 176.870 -0.411 0.000 1.014 569 L CA -0.322 54.393 54.840 -0.209 0.000 0.815 569 L CB 1.109 43.051 42.059 -0.195 0.000 1.247 569 L HN 0.374 nan 8.230 nan 0.000 0.421 570 F N 0.543 120.341 119.950 -0.253 0.000 2.522 570 F HA 0.798 5.323 4.527 -0.004 0.000 0.324 570 F C 0.614 176.170 175.800 -0.408 0.000 1.077 570 F CA -0.749 56.947 58.000 -0.507 0.000 0.944 570 F CB 2.374 40.718 39.000 -1.092 0.000 1.175 570 F HN 0.383 nan 8.300 nan 0.000 0.468 571 G N 1.199 109.835 108.800 -0.274 0.000 2.719 571 G HA2 0.714 4.672 3.960 -0.004 0.000 0.284 571 G HA3 0.714 4.672 3.960 -0.004 0.000 0.284 571 G C -1.915 172.853 174.900 -0.220 0.000 1.488 571 G CA -0.675 44.288 45.100 -0.229 0.000 1.139 571 G HN 0.954 nan 8.290 nan 0.000 0.552 572 A N 2.482 125.478 122.820 0.292 0.000 2.573 572 A HA 0.748 5.066 4.320 -0.004 0.000 0.299 572 A C -0.976 176.867 177.584 0.432 0.000 1.060 572 A CA -0.832 51.388 52.037 0.306 0.000 0.736 572 A CB 1.389 20.499 19.000 0.184 0.000 1.280 572 A HN 0.556 nan 8.150 nan 0.000 0.401 573 K N 0.842 121.419 120.400 0.296 0.000 2.207 573 K HA 0.752 5.069 4.320 -0.004 0.000 0.255 573 K C -0.232 176.524 176.600 0.259 0.000 0.941 573 K CA -0.434 56.017 56.287 0.273 0.000 0.825 573 K CB 2.404 34.930 32.500 0.044 0.000 1.119 573 K HN 0.968 nan 8.250 nan 0.000 0.430 574 A N 1.696 124.704 122.820 0.313 0.000 2.317 574 A HA 0.657 4.975 4.320 -0.004 0.000 0.327 574 A C -0.286 177.460 177.584 0.270 0.000 1.178 574 A CA -0.667 51.471 52.037 0.169 0.000 0.817 574 A CB 0.965 19.979 19.000 0.024 0.000 1.189 574 A HN 0.805 nan 8.150 nan 0.000 0.489 575 A N 3.837 126.797 122.820 0.234 0.000 2.531 575 A HA 0.435 4.753 4.320 -0.004 0.000 0.236 575 A C -1.242 176.404 177.584 0.104 0.000 1.062 575 A CA -0.580 51.599 52.037 0.238 0.000 0.760 575 A CB -0.435 18.672 19.000 0.179 0.000 0.995 575 A HN 0.628 nan 8.150 nan 0.000 0.501 576 P HA -0.192 nan 4.420 nan 0.000 0.217 576 P C 1.363 178.530 177.300 -0.221 0.000 1.158 576 P CA 2.270 65.312 63.100 -0.096 0.000 0.887 576 P CB 0.135 31.828 31.700 -0.012 0.000 0.792 577 G N -3.545 105.126 108.800 -0.215 0.000 3.042 577 G HA2 -0.107 3.850 3.960 -0.004 0.000 0.212 577 G HA3 -0.107 3.850 3.960 -0.004 0.000 0.212 577 G C -0.128 174.410 174.900 -0.603 0.000 1.166 577 G CA -0.015 44.823 45.100 -0.436 0.000 0.767 577 G HN 0.175 nan 8.290 nan 0.000 0.546 578 Y N 2.127 122.130 120.300 -0.496 0.000 2.632 578 Y HA 0.372 4.920 4.550 -0.004 0.000 0.336 578 Y C 0.707 176.408 175.900 -0.331 0.000 1.237 578 Y CA -2.338 55.556 58.100 -0.343 0.000 1.595 578 Y CB -0.602 37.730 38.460 -0.214 0.000 1.508 578 Y HN 0.270 nan 8.280 nan 0.000 0.480 579 Y N 1.930 122.358 120.300 0.213 0.000 2.224 579 Y HA -0.274 4.274 4.550 -0.004 0.000 0.289 579 Y C 2.292 178.217 175.900 0.042 0.000 1.146 579 Y CA 1.287 59.439 58.100 0.087 0.000 1.182 579 Y CB -0.121 38.377 38.460 0.063 0.000 0.983 579 Y HN 0.485 nan 8.280 nan 0.000 0.524 580 L N -0.347 121.005 121.223 0.216 0.000 2.046 580 L HA -0.227 4.111 4.340 -0.004 0.000 0.208 580 L C 2.546 179.302 176.870 -0.190 0.000 1.077 580 L CA 1.338 56.215 54.840 0.063 0.000 0.747 580 L CB -0.465 41.684 42.059 0.149 0.000 0.896 580 L HN 0.297 nan 8.230 nan 0.000 0.432 581 A N -0.093 122.392 122.820 -0.558 0.000 1.902 581 A HA -0.235 4.083 4.320 -0.004 0.000 0.217 581 A C 2.244 179.658 177.584 -0.284 0.000 1.181 581 A CA 1.770 53.387 52.037 -0.701 0.000 0.623 581 A CB -0.392 17.840 19.000 -1.281 0.000 0.818 581 A HN 0.408 nan 8.150 nan 0.000 0.443 582 K N -0.365 119.939 120.400 -0.161 0.000 2.147 582 K HA -0.142 4.176 4.320 -0.004 0.000 0.205 582 K C 1.946 178.571 176.600 0.042 0.000 1.049 582 K CA 1.249 57.519 56.287 -0.029 0.000 0.936 582 K CB -0.269 32.235 32.500 0.007 0.000 0.722 582 K HN 0.613 nan 8.250 nan 0.000 0.446 583 N N 1.181 119.916 118.700 0.058 0.000 2.270 583 N HA -0.104 4.634 4.740 -0.004 0.000 0.181 583 N C 1.799 177.385 175.510 0.127 0.000 1.016 583 N CA 0.622 53.775 53.050 0.171 0.000 0.870 583 N CB 0.110 38.691 38.487 0.157 0.000 0.979 583 N HN 0.130 nan 8.380 nan 0.000 0.431 584 I N 1.011 121.558 120.570 -0.037 0.000 2.252 584 I HA -0.235 3.933 4.170 -0.004 0.000 0.245 584 I C 2.189 178.250 176.117 -0.094 0.000 1.102 584 I CA 0.768 61.991 61.300 -0.128 0.000 1.385 584 I CB -0.104 37.747 38.000 -0.249 0.000 1.064 584 I HN 0.152 nan 8.210 nan 0.000 0.414 585 I N 0.030 120.590 120.570 -0.016 0.000 2.179 585 I HA -0.334 3.834 4.170 -0.004 0.000 0.242 585 I C 2.534 178.635 176.117 -0.027 0.000 1.088 585 I CA 1.403 62.719 61.300 0.026 0.000 1.357 585 I CB -0.392 37.626 38.000 0.030 0.000 1.051 585 I HN 0.190 nan 8.210 nan 0.000 0.409 586 F N 2.140 122.028 119.950 -0.103 0.000 2.095 586 F HA -0.275 4.250 4.527 -0.004 0.000 0.298 586 F C 2.479 178.252 175.800 -0.044 0.000 1.104 586 F CA 1.415 59.393 58.000 -0.037 0.000 1.232 586 F CB -0.827 38.227 39.000 0.089 0.000 0.987 586 F HN 0.030 nan 8.300 nan 0.000 0.475 587 A N 0.748 123.420 122.820 -0.247 0.000 1.883 587 A HA -0.184 4.134 4.320 -0.004 0.000 0.217 587 A C 2.408 179.605 177.584 -0.645 0.000 1.186 587 A CA 2.114 53.629 52.037 -0.870 0.000 0.624 587 A CB -1.290 17.158 19.000 -0.920 0.000 0.822 587 A HN 0.498 nan 8.150 nan 0.000 0.444 588 I N 0.029 120.338 120.570 -0.436 0.000 2.179 588 I HA -0.281 3.887 4.170 -0.004 0.000 0.242 588 I C 2.184 178.100 176.117 -0.335 0.000 1.088 588 I CA 1.333 62.373 61.300 -0.433 0.000 1.357 588 I CB -0.500 37.210 38.000 -0.483 0.000 1.051 588 I HN 0.317 nan 8.210 nan 0.000 0.409 589 N N 0.818 119.348 118.700 -0.283 0.000 2.120 589 N HA -0.146 4.591 4.740 -0.004 0.000 0.188 589 N C 1.815 177.207 175.510 -0.196 0.000 1.024 589 N CA 1.075 53.966 53.050 -0.264 0.000 0.852 589 N CB -0.217 38.054 38.487 -0.360 0.000 1.003 589 N HN 0.266 nan 8.380 nan 0.000 0.424 590 K N 0.992 121.256 120.400 -0.227 0.000 2.026 590 K HA -0.061 4.257 4.320 -0.004 0.000 0.208 590 K C 2.092 178.628 176.600 -0.107 0.000 1.048 590 K CA 0.789 56.990 56.287 -0.142 0.000 0.929 590 K CB -0.872 31.537 32.500 -0.150 0.000 0.713 590 K HN 0.251 nan 8.250 nan 0.000 0.439 591 V N -0.376 119.341 119.914 -0.327 0.000 2.548 591 V HA -0.019 4.099 4.120 -0.004 0.000 0.249 591 V C 2.189 178.135 176.094 -0.246 0.000 1.055 591 V CA 1.749 63.792 62.300 -0.428 0.000 1.065 591 V CB -0.549 30.721 31.823 -0.922 0.000 0.681 591 V HN 0.164 nan 8.190 nan 0.000 0.462 592 A N 0.111 122.794 122.820 -0.228 0.000 1.908 592 A HA -0.264 4.054 4.320 -0.004 0.000 0.218 592 A C 2.114 179.636 177.584 -0.103 0.000 1.181 592 A CA 2.053 53.995 52.037 -0.159 0.000 0.627 592 A CB -1.009 17.922 19.000 -0.116 0.000 0.818 592 A HN 0.618 nan 8.150 nan 0.000 0.445 593 D N -0.331 120.028 120.400 -0.067 0.000 2.116 593 D HA -0.135 4.502 4.640 -0.004 0.000 0.193 593 D C 2.069 178.364 176.300 -0.008 0.000 0.998 593 D CA 1.800 55.786 54.000 -0.023 0.000 0.836 593 D CB -0.039 40.763 40.800 0.004 0.000 0.951 593 D HN 0.227 nan 8.370 nan 0.000 0.449 594 V N 1.156 121.086 119.914 0.027 0.000 2.323 594 V HA -0.190 3.928 4.120 -0.004 0.000 0.244 594 V C 2.594 178.648 176.094 -0.067 0.000 1.041 594 V CA 0.945 63.279 62.300 0.055 0.000 1.025 594 V CB -0.262 31.703 31.823 0.236 0.000 0.656 594 V HN 0.186 nan 8.190 nan 0.000 0.451 595 I N 0.752 121.175 120.570 -0.246 0.000 2.226 595 I HA -0.231 3.937 4.170 -0.004 0.000 0.245 595 I C 2.274 178.257 176.117 -0.223 0.000 1.100 595 I CA 1.473 62.478 61.300 -0.492 0.000 1.374 595 I CB -0.515 37.133 38.000 -0.586 0.000 1.057 595 I HN 0.360 nan 8.210 nan 0.000 0.413 596 N N 1.104 119.725 118.700 -0.132 0.000 2.309 596 N HA -0.133 4.605 4.740 -0.004 0.000 0.182 596 N C 1.031 176.520 175.510 -0.036 0.000 1.018 596 N CA 1.160 54.170 53.050 -0.067 0.000 0.876 596 N CB -0.452 38.009 38.487 -0.044 0.000 0.972 596 N HN 0.467 nan 8.380 nan 0.000 0.434 597 N N -0.145 118.538 118.700 -0.028 0.000 2.205 597 N HA -0.003 4.735 4.740 -0.004 0.000 0.201 597 N C -0.633 174.886 175.510 0.015 0.000 1.128 597 N CA -0.153 52.896 53.050 -0.002 0.000 0.867 597 N CB 0.542 39.032 38.487 0.006 0.000 0.996 597 N HN 0.038 nan 8.380 nan 0.000 0.503 598 D N 1.801 122.212 120.400 0.019 0.000 2.338 598 D HA 0.042 4.680 4.640 -0.004 0.000 0.255 598 D C -1.287 175.047 176.300 0.057 0.000 1.237 598 D CA -2.071 51.969 54.000 0.067 0.000 0.883 598 D CB 1.178 42.068 40.800 0.150 0.000 1.087 598 D HN 0.136 nan 8.370 nan 0.000 0.485 599 P HA -0.162 nan 4.420 nan 0.000 0.221 599 P C 1.820 179.146 177.300 0.043 0.000 1.145 599 P CA 0.458 63.580 63.100 0.036 0.000 0.795 599 P CB 0.527 32.243 31.700 0.028 0.000 0.775 600 L N -0.596 120.663 121.223 0.059 0.000 2.141 600 L HA -0.074 4.264 4.340 -0.004 0.000 0.209 600 L C 2.495 179.408 176.870 0.072 0.000 1.094 600 L CA 1.012 55.888 54.840 0.060 0.000 0.763 600 L CB -0.319 41.780 42.059 0.066 0.000 0.908 600 L HN -0.116 nan 8.230 nan 0.000 0.437 601 V N -0.740 119.231 119.914 0.094 0.000 2.426 601 V HA 0.176 4.294 4.120 -0.004 0.000 0.242 601 V C 1.646 177.769 176.094 0.049 0.000 1.036 601 V CA 1.194 63.548 62.300 0.089 0.000 1.044 601 V CB -0.293 31.598 31.823 0.113 0.000 0.688 601 V HN 0.695 nan 8.190 nan 0.000 0.462 602 G N 0.513 109.334 108.800 0.034 0.000 2.596 602 G HA2 -0.371 3.587 3.960 -0.004 0.000 0.295 602 G HA3 -0.371 3.587 3.960 -0.004 0.000 0.295 602 G C 0.414 175.324 174.900 0.017 0.000 1.240 602 G CA 0.506 45.619 45.100 0.022 0.000 0.985 602 G HN 0.434 nan 8.290 nan 0.000 0.555 603 D N 0.978 121.388 120.400 0.017 0.000 2.352 603 D HA 0.073 4.711 4.640 -0.004 0.000 0.232 603 D C 2.216 178.525 176.300 0.014 0.000 1.055 603 D CA 0.534 54.543 54.000 0.015 0.000 0.891 603 D CB 0.043 40.855 40.800 0.019 0.000 0.897 603 D HN 0.506 nan 8.370 nan 0.000 0.529 604 K N -0.346 120.066 120.400 0.020 0.000 2.228 604 K HA -0.008 4.310 4.320 -0.004 0.000 0.202 604 K C 0.461 177.076 176.600 0.024 0.000 1.051 604 K CA 0.390 56.690 56.287 0.021 0.000 0.960 604 K CB 0.690 33.210 32.500 0.035 0.000 0.743 604 K HN -0.009 nan 8.250 nan 0.000 0.458 605 L N 0.222 121.461 121.223 0.026 0.000 2.526 605 L HA 0.371 4.709 4.340 -0.004 0.000 0.263 605 L C -1.985 174.888 176.870 0.006 0.000 0.943 605 L CA -0.515 54.348 54.840 0.037 0.000 0.859 605 L CB 1.991 44.082 42.059 0.054 0.000 1.313 605 L HN -0.234 nan 8.230 nan 0.000 0.406 606 K N 2.677 123.093 120.400 0.027 0.000 2.523 606 K HA 0.804 5.122 4.320 -0.004 0.000 0.257 606 K C -2.061 174.568 176.600 0.049 0.000 0.932 606 K CA -0.594 55.692 56.287 -0.002 0.000 0.812 606 K CB 2.338 34.820 32.500 -0.030 0.000 1.326 606 K HN 0.458 nan 8.250 nan 0.000 0.433 607 V N 4.384 124.316 119.914 0.031 0.000 2.443 607 V HA 0.673 4.791 4.120 -0.004 0.000 0.293 607 V C -1.740 174.403 176.094 0.081 0.000 1.021 607 V CA -0.396 61.965 62.300 0.101 0.000 0.848 607 V CB 1.617 33.485 31.823 0.075 0.000 0.998 607 V HN 0.485 nan 8.190 nan 0.000 0.424 608 V N 7.923 127.901 119.914 0.107 0.000 2.378 608 V HA 0.472 4.590 4.120 -0.004 0.000 0.288 608 V C -0.559 175.675 176.094 0.235 0.000 1.016 608 V CA -0.444 61.925 62.300 0.115 0.000 0.840 608 V CB 1.434 33.273 31.823 0.026 0.000 0.994 608 V HN 0.810 nan 8.190 nan 0.000 0.431 609 F N 6.073 126.078 119.950 0.092 0.000 2.313 609 F HA 0.471 4.995 4.527 -0.004 0.000 0.369 609 F C -0.026 175.923 175.800 0.249 0.000 1.109 609 F CA -1.313 56.771 58.000 0.139 0.000 1.132 609 F CB 0.707 39.632 39.000 -0.125 0.000 1.291 609 F HN 0.236 nan 8.300 nan 0.000 0.496 610 L N 8.414 129.985 121.223 0.580 0.000 2.477 610 L HA 0.204 4.542 4.340 -0.004 0.000 0.272 610 L C -1.952 175.244 176.870 0.543 0.000 1.157 610 L CA -1.191 53.907 54.840 0.430 0.000 0.889 610 L CB 0.634 42.882 42.059 0.315 0.000 1.158 610 L HN 0.388 nan 8.230 nan 0.000 0.473 611 P HA 0.081 nan 4.420 nan 0.000 0.277 611 P C -0.297 177.027 177.300 0.040 0.000 1.240 611 P CA -0.262 62.820 63.100 -0.029 0.000 0.798 611 P CB 0.788 32.248 31.700 -0.400 0.000 0.979 612 D N -0.410 119.989 120.400 -0.002 0.000 2.699 612 D HA -0.249 4.388 4.640 -0.004 0.000 0.239 612 D C -0.700 175.683 176.300 0.139 0.000 1.136 612 D CA 0.547 54.572 54.000 0.041 0.000 0.668 612 D CB -1.995 38.800 40.800 -0.009 0.000 1.060 612 D HN 0.337 nan 8.370 nan 0.000 0.429 613 Y N 0.708 121.074 120.300 0.110 0.000 2.810 613 Y HA 0.217 4.765 4.550 -0.004 0.000 0.332 613 Y C 0.830 176.773 175.900 0.072 0.000 1.243 613 Y CA 0.112 58.291 58.100 0.132 0.000 1.537 613 Y CB 0.030 38.585 38.460 0.158 0.000 1.265 613 Y HN 0.428 nan 8.280 nan 0.000 0.572 614 C N 3.256 122.273 119.300 -0.472 0.000 3.336 614 C HA 0.505 4.963 4.460 -0.004 0.000 0.339 614 C C 1.092 175.840 174.990 -0.403 0.000 1.468 614 C CA -0.434 58.339 59.018 -0.408 0.000 1.287 614 C CB 0.696 28.335 27.740 -0.167 0.000 1.682 614 C HN 0.643 nan 8.230 nan 0.000 0.451 615 V N 1.502 121.296 119.914 -0.201 0.000 2.332 615 V HA -0.166 3.952 4.120 -0.004 0.000 0.248 615 V C 2.680 178.754 176.094 -0.032 0.000 1.055 615 V CA 2.999 65.278 62.300 -0.034 0.000 1.038 615 V CB -0.950 30.857 31.823 -0.026 0.000 0.651 615 V HN 0.961 nan 8.190 nan 0.000 0.450 616 S N -0.172 115.481 115.700 -0.077 0.000 2.368 616 S HA -0.151 4.317 4.470 -0.004 0.000 0.225 616 S C 2.211 176.764 174.600 -0.078 0.000 1.030 616 S CA 1.382 59.535 58.200 -0.079 0.000 0.999 616 S CB -0.438 62.726 63.200 -0.061 0.000 0.844 616 S HN 0.665 nan 8.310 nan 0.000 0.459 617 A N 1.596 124.416 122.820 -0.000 0.000 1.877 617 A HA 0.100 4.417 4.320 -0.004 0.000 0.216 617 A C 2.367 180.050 177.584 0.166 0.000 1.186 617 A CA 1.720 53.839 52.037 0.137 0.000 0.620 617 A CB -1.152 18.047 19.000 0.333 0.000 0.822 617 A HN 0.513 nan 8.150 nan 0.000 0.443 618 A N -0.004 122.918 122.820 0.170 0.000 1.908 618 A HA -0.218 4.100 4.320 -0.004 0.000 0.218 618 A C 1.847 179.626 177.584 0.325 0.000 1.181 618 A CA 1.733 53.969 52.037 0.332 0.000 0.627 618 A CB -0.632 18.556 19.000 0.314 0.000 0.818 618 A HN 0.653 nan 8.150 nan 0.000 0.445 619 E N -0.514 119.826 120.200 0.235 0.000 2.333 619 E HA -0.166 4.182 4.350 -0.004 0.000 0.198 619 E C 1.798 178.421 176.600 0.038 0.000 1.007 619 E CA 1.148 57.628 56.400 0.133 0.000 0.845 619 E CB -0.063 29.597 29.700 -0.067 0.000 0.766 619 E HN 0.622 nan 8.360 nan 0.000 0.507 620 K N -0.108 120.272 120.400 -0.033 0.000 2.244 620 K HA 0.090 4.408 4.320 -0.004 0.000 0.200 620 K C 2.060 178.696 176.600 0.059 0.000 1.052 620 K CA 0.141 56.373 56.287 -0.092 0.000 0.980 620 K CB 0.257 32.497 32.500 -0.433 0.000 0.838 620 K HN 0.033 nan 8.250 nan 0.000 0.481 621 L N 1.047 122.352 121.223 0.136 0.000 2.023 621 L HA -0.107 4.230 4.340 -0.004 0.000 0.205 621 L C 2.302 179.261 176.870 0.148 0.000 1.073 621 L CA 1.118 56.065 54.840 0.178 0.000 0.745 621 L CB -0.330 41.858 42.059 0.215 0.000 0.900 621 L HN 0.098 nan 8.230 nan 0.000 0.435 622 I N -0.061 120.601 120.570 0.152 0.000 2.151 622 I HA -0.239 3.929 4.170 -0.004 0.000 0.243 622 I C -0.435 175.743 176.117 0.100 0.000 1.080 622 I CA 1.576 62.947 61.300 0.119 0.000 1.339 622 I CB -1.321 36.762 38.000 0.139 0.000 1.039 622 I HN 0.209 nan 8.210 nan 0.000 0.409 623 P HA -0.116 nan 4.420 nan 0.000 0.222 623 P C 0.768 178.089 177.300 0.035 0.000 1.147 623 P CA 1.258 64.389 63.100 0.051 0.000 0.790 623 P CB 0.043 31.764 31.700 0.034 0.000 0.780 624 A N -1.264 121.604 122.820 0.080 0.000 2.345 624 A HA 0.525 4.842 4.320 -0.004 0.000 0.225 624 A C 1.012 178.674 177.584 0.130 0.000 1.243 624 A CA -0.096 51.993 52.037 0.087 0.000 0.875 624 A CB -0.636 18.474 19.000 0.184 0.000 0.929 624 A HN 0.168 nan 8.150 nan 0.000 0.502 625 A N -0.033 122.861 122.820 0.123 0.000 2.409 625 A HA 0.451 4.769 4.320 -0.004 0.000 0.262 625 A C 0.427 178.102 177.584 0.152 0.000 1.113 625 A CA -0.126 51.991 52.037 0.134 0.000 0.790 625 A CB 0.268 19.321 19.000 0.088 0.000 1.046 625 A HN 0.277 nan 8.150 nan 0.000 0.496 626 D N 0.713 121.218 120.400 0.175 0.000 2.369 626 D HA 0.140 4.778 4.640 -0.004 0.000 0.231 626 D C 0.182 176.710 176.300 0.380 0.000 0.967 626 D CA 1.041 55.228 54.000 0.313 0.000 0.905 626 D CB 0.249 41.118 40.800 0.116 0.000 1.044 626 D HN 0.384 nan 8.370 nan 0.000 0.487 627 I N 0.821 121.496 120.570 0.174 0.000 2.433 627 I HA 0.169 4.337 4.170 -0.004 0.000 0.292 627 I C -0.153 175.992 176.117 0.046 0.000 1.001 627 I CA -0.503 60.870 61.300 0.122 0.000 1.119 627 I CB 1.761 39.761 38.000 0.000 0.000 1.289 627 I HN -0.237 nan 8.210 nan 0.000 0.438 628 S N 6.255 121.988 115.700 0.055 0.000 2.448 628 S HA 0.305 4.773 4.470 -0.004 0.000 0.320 628 S C -0.211 174.402 174.600 0.022 0.000 1.071 628 S CA -0.598 57.611 58.200 0.016 0.000 1.113 628 S CB 0.314 63.521 63.200 0.011 0.000 0.972 628 S HN 0.397 nan 8.310 nan 0.000 0.465 629 E N 3.888 124.081 120.200 -0.011 0.000 2.129 629 E HA 0.179 4.527 4.350 -0.004 0.000 0.283 629 E C -0.416 176.186 176.600 0.005 0.000 1.080 629 E CA -0.207 56.204 56.400 0.019 0.000 0.867 629 E CB 0.843 30.529 29.700 -0.023 0.000 1.056 629 E HN 0.591 nan 8.360 nan 0.000 0.404 630 Q N 2.697 122.528 119.800 0.051 0.000 3.230 630 Q HA 0.228 4.565 4.340 -0.004 0.000 0.303 630 Q C 0.654 176.686 176.000 0.053 0.000 0.884 630 Q CA -0.095 55.721 55.803 0.022 0.000 0.859 630 Q CB 0.136 28.878 28.738 0.007 0.000 1.432 630 Q HN 0.616 nan 8.270 nan 0.000 0.403 631 I N -1.752 118.842 120.570 0.041 0.000 3.874 631 I HA 0.239 4.407 4.170 -0.004 0.000 0.331 631 I C 0.538 176.644 176.117 -0.018 0.000 1.489 631 I CA -0.555 60.773 61.300 0.046 0.000 1.187 631 I CB 0.133 38.110 38.000 -0.038 0.000 1.150 631 I HN -0.008 nan 8.210 nan 0.000 0.412 632 S N 0.564 116.262 115.700 -0.002 0.000 2.573 632 S HA 0.125 4.593 4.470 -0.004 0.000 0.277 632 S C 0.560 175.181 174.600 0.035 0.000 1.346 632 S CA -0.295 57.938 58.200 0.054 0.000 1.034 632 S CB 0.273 63.567 63.200 0.157 0.000 0.879 632 S HN 0.394 nan 8.310 nan 0.000 0.528 633 T N 2.858 117.474 114.554 0.103 0.000 2.867 633 T HA 0.375 4.723 4.350 -0.004 0.000 0.297 633 T C 0.741 175.456 174.700 0.025 0.000 0.989 633 T CA 0.297 62.445 62.100 0.079 0.000 1.159 633 T CB -0.043 68.954 68.868 0.216 0.000 0.928 633 T HN 1.018 nan 8.240 nan 0.000 0.538 634 A N 2.884 125.681 122.820 -0.038 0.000 2.566 634 A HA 0.457 4.774 4.320 -0.004 0.000 0.245 634 A C 1.642 179.201 177.584 -0.041 0.000 1.056 634 A CA 0.295 52.300 52.037 -0.054 0.000 0.757 634 A CB -0.880 18.078 19.000 -0.070 0.000 0.979 634 A HN 1.651 nan 8.150 nan 0.000 0.508 635 G N 2.106 110.880 108.800 -0.044 0.000 2.176 635 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.232 635 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.232 635 G C 0.833 175.684 174.900 -0.082 0.000 0.986 635 G CA 0.538 45.608 45.100 -0.049 0.000 0.643 635 G HN 0.675 nan 8.290 nan 0.000 0.522 636 K N 0.067 120.401 120.400 -0.110 0.000 2.365 636 K HA 0.212 4.530 4.320 -0.004 0.000 0.195 636 K C 0.725 176.990 176.600 -0.558 0.000 1.079 636 K CA 0.389 56.498 56.287 -0.298 0.000 0.979 636 K CB 0.494 32.894 32.500 -0.167 0.000 0.929 636 K HN 0.401 nan 8.250 nan 0.000 0.523 637 E N 1.573 121.634 120.200 -0.232 0.000 1.963 637 E HA 0.303 4.651 4.350 -0.004 0.000 0.274 637 E C 0.701 177.207 176.600 -0.157 0.000 1.061 637 E CA -0.150 56.181 56.400 -0.115 0.000 0.847 637 E CB 0.821 30.573 29.700 0.086 0.000 1.083 637 E HN 0.162 nan 8.360 nan 0.000 0.402 638 A N 3.348 125.994 122.820 -0.290 0.000 1.896 638 A HA -0.265 4.053 4.320 -0.004 0.000 0.220 638 A C 1.989 179.461 177.584 -0.186 0.000 1.206 638 A CA 2.436 54.204 52.037 -0.448 0.000 0.647 638 A CB -0.365 18.127 19.000 -0.846 0.000 0.828 638 A HN 0.612 nan 8.150 nan 0.000 0.455 639 S N -4.170 111.466 115.700 -0.106 0.000 4.198 639 S HA 0.466 4.933 4.470 -0.004 0.000 0.202 639 S C 0.659 175.247 174.600 -0.020 0.000 1.124 639 S CA 1.365 59.552 58.200 -0.022 0.000 1.050 639 S CB -0.024 63.190 63.200 0.023 0.000 1.401 639 S HN 2.362 nan 8.310 nan 0.000 0.589 640 G N 0.096 108.888 108.800 -0.013 0.000 2.692 640 G HA2 0.037 3.995 3.960 -0.004 0.000 0.686 640 G HA3 0.037 3.995 3.960 -0.004 0.000 0.686 640 G C 0.206 175.077 174.900 -0.049 0.000 1.243 640 G CA 0.454 45.539 45.100 -0.025 0.000 0.782 640 G HN 1.405 nan 8.290 nan 0.000 0.625 641 T N -2.614 111.892 114.554 -0.080 0.000 3.074 641 T HA 0.373 4.721 4.350 -0.004 0.000 0.258 641 T C 2.304 176.886 174.700 -0.198 0.000 0.891 641 T CA 1.287 63.316 62.100 -0.119 0.000 0.867 641 T CB 0.248 69.056 68.868 -0.100 0.000 1.261 641 T HN 1.926 nan 8.240 nan 0.000 0.537 642 G N 3.324 112.018 108.800 -0.176 0.000 2.422 642 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.218 642 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.218 642 G C 1.543 176.336 174.900 -0.178 0.000 1.146 642 G CA 1.292 46.271 45.100 -0.202 0.000 0.769 642 G HN 0.680 nan 8.290 nan 0.000 0.547 643 N N 1.108 119.717 118.700 -0.153 0.000 2.137 643 N HA -0.170 4.568 4.740 -0.004 0.000 0.190 643 N C 1.993 177.379 175.510 -0.207 0.000 1.017 643 N CA 1.865 54.822 53.050 -0.157 0.000 0.859 643 N CB -0.673 37.721 38.487 -0.156 0.000 1.002 643 N HN 0.425 nan 8.380 nan 0.000 0.428 644 M N 0.019 119.469 119.600 -0.250 0.000 2.200 644 M HA 0.046 4.524 4.480 -0.004 0.000 0.265 644 M C 1.845 178.060 176.300 -0.141 0.000 1.066 644 M CA 1.302 56.446 55.300 -0.261 0.000 1.127 644 M CB -0.136 32.336 32.600 -0.215 0.000 1.379 644 M HN 0.109 nan 8.290 nan 0.000 0.420 645 K N 0.613 120.903 120.400 -0.184 0.000 2.103 645 K HA -0.003 4.315 4.320 -0.004 0.000 0.204 645 K C 1.843 178.405 176.600 -0.063 0.000 1.052 645 K CA 1.003 57.199 56.287 -0.151 0.000 0.945 645 K CB -0.175 32.087 32.500 -0.395 0.000 0.722 645 K HN 0.270 nan 8.250 nan 0.000 0.443 646 L N 0.708 121.881 121.223 -0.083 0.000 2.109 646 L HA -0.111 4.226 4.340 -0.004 0.000 0.207 646 L C 2.588 179.453 176.870 -0.009 0.000 1.086 646 L CA 0.917 55.739 54.840 -0.030 0.000 0.760 646 L CB -0.493 41.543 42.059 -0.039 0.000 0.910 646 L HN 0.192 nan 8.230 nan 0.000 0.437 647 A N 0.283 123.079 122.820 -0.040 0.000 1.858 647 A HA -0.172 4.146 4.320 -0.004 0.000 0.216 647 A C 2.222 179.818 177.584 0.021 0.000 1.190 647 A CA 1.453 53.474 52.037 -0.027 0.000 0.617 647 A CB -0.824 18.127 19.000 -0.082 0.000 0.827 647 A HN 0.324 nan 8.150 nan 0.000 0.443 648 L N -0.020 121.222 121.223 0.031 0.000 2.127 648 L HA -0.177 4.161 4.340 -0.004 0.000 0.211 648 L C 1.604 178.514 176.870 0.066 0.000 1.089 648 L CA 1.064 55.943 54.840 0.064 0.000 0.757 648 L CB -0.447 41.663 42.059 0.085 0.000 0.899 648 L HN 0.414 nan 8.230 nan 0.000 0.434 649 N N -0.024 118.710 118.700 0.057 0.000 2.383 649 N HA 0.032 4.770 4.740 -0.004 0.000 0.192 649 N C 1.108 176.642 175.510 0.040 0.000 1.141 649 N CA 0.940 54.013 53.050 0.039 0.000 0.851 649 N CB 0.794 39.309 38.487 0.047 0.000 0.976 649 N HN 0.440 nan 8.380 nan 0.000 0.465 650 G N 0.011 108.881 108.800 0.117 0.000 2.134 650 G HA2 -0.182 3.775 3.960 -0.004 0.000 0.209 650 G HA3 -0.182 3.775 3.960 -0.004 0.000 0.209 650 G C 0.007 175.006 174.900 0.165 0.000 0.993 650 G CA 0.047 45.269 45.100 0.204 0.000 0.669 650 G HN 0.524 nan 8.290 nan 0.000 0.519 651 A N -0.034 122.850 122.820 0.106 0.000 2.312 651 A HA 0.866 5.184 4.320 -0.004 0.000 0.328 651 A C 0.278 177.890 177.584 0.046 0.000 1.158 651 A CA -0.557 51.554 52.037 0.123 0.000 0.821 651 A CB 0.905 19.965 19.000 0.101 0.000 1.170 651 A HN 0.724 nan 8.150 nan 0.000 0.490 652 L N 1.400 122.647 121.223 0.040 0.000 2.334 652 L HA 0.381 4.719 4.340 -0.004 0.000 0.277 652 L C 0.203 177.142 176.870 0.115 0.000 1.075 652 L CA -0.421 54.407 54.840 -0.021 0.000 0.804 652 L CB 1.621 43.574 42.059 -0.177 0.000 1.174 652 L HN 0.692 nan 8.230 nan 0.000 0.438 653 T N 2.182 116.799 114.554 0.105 0.000 2.806 653 T HA 0.328 4.675 4.350 -0.004 0.000 0.290 653 T C -0.074 174.784 174.700 0.264 0.000 0.966 653 T CA -0.333 61.847 62.100 0.133 0.000 1.060 653 T CB 1.575 70.475 68.868 0.053 0.000 0.927 653 T HN 0.208 nan 8.240 nan 0.000 0.485 654 V N 3.494 123.546 119.914 0.230 0.000 2.293 654 V HA 0.734 4.852 4.120 -0.004 0.000 0.275 654 V C 0.570 176.887 176.094 0.372 0.000 1.021 654 V CA -0.295 62.180 62.300 0.292 0.000 0.815 654 V CB 0.859 32.747 31.823 0.108 0.000 1.025 654 V HN 1.083 nan 8.190 nan 0.000 0.448 655 G N 2.677 111.727 108.800 0.418 0.000 2.684 655 G HA2 0.680 4.637 3.960 -0.004 0.000 0.290 655 G HA3 0.680 4.637 3.960 -0.004 0.000 0.290 655 G C -0.408 174.451 174.900 -0.068 0.000 1.425 655 G CA -0.195 45.064 45.100 0.264 0.000 0.822 655 G HN 0.582 nan 8.290 nan 0.000 0.482 656 T N -1.280 113.097 114.554 -0.295 0.000 2.847 656 T HA 0.485 4.833 4.350 -0.004 0.000 0.279 656 T C 0.346 174.913 174.700 -0.221 0.000 0.984 656 T CA -0.728 61.081 62.100 -0.486 0.000 0.988 656 T CB 1.295 69.917 68.868 -0.410 0.000 1.040 656 T HN 0.368 nan 8.240 nan 0.000 0.528 657 L N 2.437 123.544 121.223 -0.194 0.000 2.423 657 L HA 0.390 4.728 4.340 -0.004 0.000 0.249 657 L C -0.489 176.333 176.870 -0.081 0.000 1.276 657 L CA 0.512 55.288 54.840 -0.106 0.000 1.199 657 L CB -1.208 40.797 42.059 -0.089 0.000 1.407 657 L HN 0.822 nan 8.230 nan 0.000 0.410 658 D N 0.833 121.191 120.400 -0.069 0.000 2.581 658 D HA 0.610 5.248 4.640 -0.004 0.000 0.232 658 D C 0.644 176.927 176.300 -0.029 0.000 1.143 658 D CA 0.771 54.742 54.000 -0.047 0.000 0.881 658 D CB 2.229 42.999 40.800 -0.051 0.000 1.500 658 D HN 0.494 nan 8.370 nan 0.000 0.458 659 G N 1.265 110.055 108.800 -0.016 0.000 2.627 659 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.312 659 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.312 659 G C 1.028 175.933 174.900 0.009 0.000 1.299 659 G CA 1.127 46.224 45.100 -0.004 0.000 0.989 659 G HN 1.142 nan 8.290 nan 0.000 0.547 660 A N -0.046 122.774 122.820 0.000 0.000 2.209 660 A HA 0.120 4.438 4.320 -0.004 0.000 0.212 660 A C 2.038 179.589 177.584 -0.055 0.000 1.158 660 A CA 1.658 53.699 52.037 0.006 0.000 0.742 660 A CB -0.586 18.399 19.000 -0.025 0.000 0.790 660 A HN 0.675 nan 8.150 nan 0.000 0.472 661 N N 0.207 118.871 118.700 -0.060 0.000 2.149 661 N HA -0.178 4.560 4.740 -0.004 0.000 0.188 661 N C 1.843 177.333 175.510 -0.032 0.000 1.019 661 N CA 1.583 54.593 53.050 -0.066 0.000 0.857 661 N CB -0.346 38.109 38.487 -0.053 0.000 0.997 661 N HN 0.528 nan 8.380 nan 0.000 0.426 662 V N -0.516 119.393 119.914 -0.008 0.000 2.343 662 V HA -0.170 3.948 4.120 -0.004 0.000 0.247 662 V C 1.625 177.748 176.094 0.048 0.000 1.051 662 V CA 1.655 63.960 62.300 0.009 0.000 1.036 662 V CB -0.590 31.239 31.823 0.009 0.000 0.654 662 V HN 0.191 nan 8.190 nan 0.000 0.451 663 E N 0.264 120.524 120.200 0.099 0.000 2.152 663 E HA 0.017 4.365 4.350 -0.004 0.000 0.192 663 E C 2.151 178.941 176.600 0.315 0.000 0.983 663 E CA 1.467 57.992 56.400 0.209 0.000 0.818 663 E CB -0.183 29.704 29.700 0.311 0.000 0.758 663 E HN 0.688 nan 8.360 nan 0.000 0.467 664 I N 0.871 121.531 120.570 0.151 0.000 2.286 664 I HA -0.197 3.971 4.170 -0.004 0.000 0.245 664 I C 2.501 178.653 176.117 0.058 0.000 1.104 664 I CA 0.750 62.081 61.300 0.052 0.000 1.397 664 I CB -0.243 37.617 38.000 -0.232 0.000 1.072 664 I HN 0.075 nan 8.210 nan 0.000 0.417 665 A N 0.553 123.383 122.820 0.016 0.000 1.933 665 A HA -0.270 4.048 4.320 -0.004 0.000 0.218 665 A C 2.195 179.785 177.584 0.010 0.000 1.175 665 A CA 2.112 54.147 52.037 -0.003 0.000 0.628 665 A CB -0.528 18.464 19.000 -0.013 0.000 0.814 665 A HN 0.431 nan 8.150 nan 0.000 0.444 666 E N 0.060 120.282 120.200 0.036 0.000 2.150 666 E HA -0.134 4.214 4.350 -0.004 0.000 0.193 666 E C 1.870 178.487 176.600 0.029 0.000 0.985 666 E CA 1.374 57.790 56.400 0.027 0.000 0.814 666 E CB -0.031 29.689 29.700 0.034 0.000 0.752 666 E HN 0.395 nan 8.360 nan 0.000 0.466 667 K N -0.130 120.310 120.400 0.067 0.000 2.186 667 K HA 0.003 4.321 4.320 -0.004 0.000 0.202 667 K C 2.131 178.750 176.600 0.031 0.000 1.052 667 K CA 1.228 57.550 56.287 0.058 0.000 0.965 667 K CB -0.112 32.461 32.500 0.122 0.000 0.746 667 K HN 0.314 nan 8.250 nan 0.000 0.457 668 V N -2.302 117.625 119.914 0.023 0.000 2.878 668 V HA 0.272 4.389 4.120 -0.004 0.000 0.250 668 V C 0.810 176.874 176.094 -0.050 0.000 1.075 668 V CA 0.580 62.868 62.300 -0.019 0.000 1.096 668 V CB -0.761 31.040 31.823 -0.038 0.000 0.724 668 V HN 0.296 nan 8.190 nan 0.000 0.467 669 G N 0.359 109.131 108.800 -0.046 0.000 2.911 669 G HA2 -0.152 3.806 3.960 -0.004 0.000 0.686 669 G HA3 -0.152 3.806 3.960 -0.004 0.000 0.686 669 G C 0.078 174.926 174.900 -0.087 0.000 1.136 669 G CA 0.179 45.243 45.100 -0.061 0.000 0.764 669 G HN 0.475 nan 8.290 nan 0.000 0.626 670 E N 0.574 120.727 120.200 -0.077 0.000 2.086 670 E HA -0.269 4.078 4.350 -0.004 0.000 0.200 670 E C 2.068 178.580 176.600 -0.146 0.000 1.012 670 E CA 2.264 58.609 56.400 -0.093 0.000 0.812 670 E CB 0.030 29.691 29.700 -0.065 0.000 0.743 670 E HN 0.685 nan 8.360 nan 0.000 0.453 671 E N 0.339 120.457 120.200 -0.137 0.000 2.401 671 E HA -0.100 4.248 4.350 -0.004 0.000 0.199 671 E C 0.645 177.094 176.600 -0.252 0.000 1.023 671 E CA 0.715 57.012 56.400 -0.171 0.000 0.859 671 E CB -0.028 29.600 29.700 -0.120 0.000 0.780 671 E HN 0.261 nan 8.360 nan 0.000 0.523 672 N N 0.201 118.752 118.700 -0.248 0.000 2.275 672 N HA 0.256 4.994 4.740 -0.004 0.000 0.236 672 N C -0.452 174.855 175.510 -0.339 0.000 1.154 672 N CA 0.016 52.890 53.050 -0.293 0.000 0.866 672 N CB 1.299 39.666 38.487 -0.201 0.000 1.093 672 N HN 0.169 nan 8.380 nan 0.000 0.515 673 I N -0.699 119.627 120.570 -0.408 0.000 2.918 673 I HA 0.350 4.517 4.170 -0.004 0.000 0.301 673 I C -1.478 174.391 176.117 -0.412 0.000 1.312 673 I CA -0.801 60.306 61.300 -0.322 0.000 1.007 673 I CB 1.851 39.772 38.000 -0.131 0.000 1.281 673 I HN -0.264 nan 8.210 nan 0.000 0.440 674 F N 7.298 127.257 119.950 0.014 0.000 2.344 674 F HA 0.418 4.943 4.527 -0.004 0.000 0.344 674 F C 0.043 175.930 175.800 0.145 0.000 1.140 674 F CA -0.518 57.519 58.000 0.063 0.000 1.256 674 F CB 0.282 39.313 39.000 0.053 0.000 1.573 674 F HN 0.045 nan 8.300 nan 0.000 0.547 675 I N 3.409 124.104 120.570 0.208 0.000 2.519 675 I HA 0.289 4.457 4.170 -0.004 0.000 0.287 675 I C -0.006 176.253 176.117 0.237 0.000 1.047 675 I CA -0.400 60.996 61.300 0.160 0.000 1.381 675 I CB 0.422 38.441 38.000 0.032 0.000 1.417 675 I HN 0.369 nan 8.210 nan 0.000 0.540 676 F N 2.466 122.445 119.950 0.048 0.000 2.779 676 F HA 0.829 5.353 4.527 -0.004 0.000 0.316 676 F C -0.072 175.726 175.800 -0.002 0.000 1.164 676 F CA -0.466 57.553 58.000 0.031 0.000 0.924 676 F CB 1.016 40.057 39.000 0.067 0.000 1.348 676 F HN 0.812 nan 8.300 nan 0.000 0.467 677 G N 0.462 109.177 108.800 -0.142 0.000 2.795 677 G HA2 -0.007 3.951 3.960 -0.004 0.000 0.664 677 G HA3 -0.007 3.951 3.960 -0.004 0.000 0.664 677 G C -1.370 173.365 174.900 -0.276 0.000 1.381 677 G CA -0.590 44.347 45.100 -0.271 0.000 0.853 677 G HN 1.191 nan 8.290 nan 0.000 0.545 678 H N 0.707 119.709 119.070 -0.114 0.000 2.732 678 H HA 0.404 4.958 4.556 -0.004 0.000 0.351 678 H C 1.463 176.719 175.328 -0.120 0.000 1.090 678 H CA 0.852 56.845 56.048 -0.092 0.000 1.431 678 H CB 0.778 30.476 29.762 -0.107 0.000 1.447 678 H HN 0.915 nan 8.280 nan 0.000 0.582 679 T N -1.455 113.114 114.554 0.026 0.000 2.754 679 T HA 0.024 4.372 4.350 -0.004 0.000 0.286 679 T C 1.652 176.341 174.700 -0.019 0.000 0.997 679 T CA -0.303 61.785 62.100 -0.020 0.000 0.982 679 T CB 0.829 69.688 68.868 -0.015 0.000 1.027 679 T HN 0.358 nan 8.240 nan 0.000 0.529 680 V N 0.897 120.789 119.914 -0.036 0.000 2.332 680 V HA -0.152 3.966 4.120 -0.004 0.000 0.248 680 V C 2.420 178.487 176.094 -0.045 0.000 1.055 680 V CA 2.424 64.698 62.300 -0.044 0.000 1.038 680 V CB -1.060 30.738 31.823 -0.042 0.000 0.651 680 V HN 0.933 nan 8.190 nan 0.000 0.450 681 E N 0.117 120.298 120.200 -0.031 0.000 2.047 681 E HA -0.209 4.139 4.350 -0.004 0.000 0.191 681 E C 2.274 178.857 176.600 -0.028 0.000 0.987 681 E CA 1.714 58.096 56.400 -0.030 0.000 0.799 681 E CB -0.388 29.301 29.700 -0.018 0.000 0.752 681 E HN 0.761 nan 8.360 nan 0.000 0.449 682 Q N 0.011 119.809 119.800 -0.003 0.000 2.170 682 Q HA -0.114 4.224 4.340 -0.004 0.000 0.203 682 Q C 2.172 178.116 176.000 -0.094 0.000 0.976 682 Q CA 1.212 57.022 55.803 0.012 0.000 0.858 682 Q CB -0.065 28.760 28.738 0.144 0.000 0.907 682 Q HN 0.140 nan 8.270 nan 0.000 0.433 683 V N 1.297 121.147 119.914 -0.107 0.000 2.307 683 V HA -0.262 3.856 4.120 -0.004 0.000 0.245 683 V C 2.025 178.010 176.094 -0.181 0.000 1.045 683 V CA 1.805 63.986 62.300 -0.198 0.000 1.024 683 V CB -0.391 31.343 31.823 -0.148 0.000 0.651 683 V HN 0.310 nan 8.190 nan 0.000 0.449 684 K N 0.337 120.667 120.400 -0.117 0.000 2.057 684 K HA -0.121 4.197 4.320 -0.004 0.000 0.207 684 K C 2.330 178.881 176.600 -0.082 0.000 1.049 684 K CA 1.439 57.668 56.287 -0.096 0.000 0.931 684 K CB -0.449 32.007 32.500 -0.073 0.000 0.714 684 K HN 0.461 nan 8.250 nan 0.000 0.440 685 A N 1.820 124.599 122.820 -0.069 0.000 1.883 685 A HA -0.183 4.135 4.320 -0.004 0.000 0.217 685 A C 2.174 179.731 177.584 -0.046 0.000 1.186 685 A CA 1.454 53.465 52.037 -0.042 0.000 0.624 685 A CB -0.689 18.299 19.000 -0.020 0.000 0.822 685 A HN 0.182 nan 8.150 nan 0.000 0.444 686 I N -0.424 120.087 120.570 -0.099 0.000 2.226 686 I HA -0.274 3.894 4.170 -0.004 0.000 0.245 686 I C 2.374 178.460 176.117 -0.053 0.000 1.100 686 I CA 1.237 62.478 61.300 -0.098 0.000 1.374 686 I CB -0.328 37.486 38.000 -0.311 0.000 1.057 686 I HN 0.298 nan 8.210 nan 0.000 0.413 687 L N 0.277 121.435 121.223 -0.108 0.000 2.093 687 L HA -0.154 4.183 4.340 -0.004 0.000 0.208 687 L C 2.831 179.697 176.870 -0.006 0.000 1.085 687 L CA 1.163 55.977 54.840 -0.044 0.000 0.755 687 L CB -0.716 41.287 42.059 -0.093 0.000 0.904 687 L HN 0.222 nan 8.230 nan 0.000 0.435 688 A N 1.343 124.149 122.820 -0.023 0.000 1.902 688 A HA -0.222 4.096 4.320 -0.004 0.000 0.217 688 A C 2.221 179.810 177.584 0.009 0.000 1.181 688 A CA 1.915 53.944 52.037 -0.012 0.000 0.623 688 A CB -0.456 18.531 19.000 -0.022 0.000 0.818 688 A HN 0.531 nan 8.150 nan 0.000 0.443 689 K N -0.845 119.568 120.400 0.023 0.000 2.525 689 K HA 0.300 4.618 4.320 -0.004 0.000 0.192 689 K C 0.551 177.187 176.600 0.060 0.000 1.029 689 K CA 0.581 56.892 56.287 0.039 0.000 1.029 689 K CB -0.602 31.927 32.500 0.048 0.000 0.814 689 K HN 1.046 nan 8.250 nan 0.000 0.503 690 G N 1.599 110.443 108.800 0.073 0.000 2.897 690 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.436 690 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.436 690 G C -1.224 173.772 174.900 0.161 0.000 1.079 690 G CA -0.440 44.713 45.100 0.088 0.000 1.090 690 G HN 0.393 nan 8.290 nan 0.000 0.480 691 Y N 2.514 122.826 120.300 0.021 0.000 2.336 691 Y HA 0.581 5.129 4.550 -0.004 0.000 0.335 691 Y C -0.079 175.858 175.900 0.062 0.000 1.046 691 Y CA -1.306 56.820 58.100 0.043 0.000 1.198 691 Y CB 1.803 40.242 38.460 -0.034 0.000 1.182 691 Y HN 0.421 nan 8.280 nan 0.000 0.502 692 D N 9.305 129.580 120.400 -0.208 0.000 2.462 692 D HA 0.305 4.943 4.640 -0.004 0.000 0.249 692 D C -1.981 174.083 176.300 -0.395 0.000 1.117 692 D CA -2.595 51.234 54.000 -0.285 0.000 0.900 692 D CB 1.446 42.217 40.800 -0.048 0.000 1.039 692 D HN 0.352 nan 8.370 nan 0.000 0.516 693 P HA -0.170 nan 4.420 nan 0.000 0.218 693 P C 1.484 178.756 177.300 -0.046 0.000 1.148 693 P CA 0.553 63.375 63.100 -0.464 0.000 0.822 693 P CB 0.475 31.933 31.700 -0.403 0.000 0.784 694 V N 0.436 120.312 119.914 -0.063 0.000 2.490 694 V HA -0.215 3.903 4.120 -0.004 0.000 0.250 694 V C 2.792 178.912 176.094 0.044 0.000 1.061 694 V CA 1.988 64.285 62.300 -0.005 0.000 1.064 694 V CB -1.250 30.555 31.823 -0.030 0.000 0.670 694 V HN 0.104 nan 8.190 nan 0.000 0.461 695 K N -0.461 119.979 120.400 0.066 0.000 2.002 695 K HA -0.197 4.121 4.320 -0.004 0.000 0.209 695 K C 1.796 178.447 176.600 0.086 0.000 1.048 695 K CA 1.983 58.302 56.287 0.053 0.000 0.930 695 K CB -0.412 32.116 32.500 0.046 0.000 0.714 695 K HN 0.467 nan 8.250 nan 0.000 0.438 696 W N 1.175 122.481 121.300 0.011 0.000 2.335 696 W HA -0.099 4.558 4.660 -0.004 0.000 0.311 696 W C 2.437 178.978 176.519 0.036 0.000 1.213 696 W CA 1.748 59.133 57.345 0.067 0.000 1.274 696 W CB -0.542 29.003 29.460 0.142 0.000 1.148 696 W HN 0.162 nan 8.180 nan 0.000 0.498 697 R N 0.956 121.594 120.500 0.231 0.000 2.097 697 R HA -0.219 4.119 4.340 -0.004 0.000 0.236 697 R C 2.167 178.501 176.300 0.056 0.000 1.135 697 R CA 1.941 58.098 56.100 0.095 0.000 0.934 697 R CB -0.433 29.890 30.300 0.039 0.000 0.846 697 R HN -0.075 nan 8.270 nan 0.000 0.431 698 K N 0.594 121.019 120.400 0.040 0.000 2.160 698 K HA -0.148 4.169 4.320 -0.004 0.000 0.206 698 K C 1.923 178.531 176.600 0.014 0.000 1.047 698 K CA 1.228 57.524 56.287 0.016 0.000 0.930 698 K CB -0.102 32.400 32.500 0.003 0.000 0.720 698 K HN 0.249 nan 8.250 nan 0.000 0.450 699 K N 0.842 121.253 120.400 0.019 0.000 2.103 699 K HA -0.051 4.267 4.320 -0.004 0.000 0.204 699 K C 0.687 177.313 176.600 0.042 0.000 1.052 699 K CA 0.465 56.754 56.287 0.004 0.000 0.945 699 K CB -0.243 32.227 32.500 -0.050 0.000 0.722 699 K HN 0.133 nan 8.250 nan 0.000 0.443 700 D N 1.210 121.661 120.400 0.084 0.000 2.313 700 D HA 0.045 4.683 4.640 -0.004 0.000 0.239 700 D C 0.775 177.116 176.300 0.068 0.000 1.142 700 D CA 0.010 54.079 54.000 0.114 0.000 0.847 700 D CB 1.489 42.407 40.800 0.198 0.000 1.082 700 D HN -0.250 nan 8.370 nan 0.000 0.480 701 K N 2.607 123.047 120.400 0.067 0.000 2.002 701 K HA -0.133 4.184 4.320 -0.004 0.000 0.209 701 K C 1.899 178.522 176.600 0.038 0.000 1.048 701 K CA 1.476 57.788 56.287 0.042 0.000 0.930 701 K CB -0.551 31.973 32.500 0.040 0.000 0.714 701 K HN 0.417 nan 8.250 nan 0.000 0.438 702 V N -0.128 119.833 119.914 0.078 0.000 2.515 702 V HA -0.115 4.003 4.120 -0.004 0.000 0.250 702 V C 1.929 178.026 176.094 0.004 0.000 1.058 702 V CA 1.568 63.915 62.300 0.079 0.000 1.064 702 V CB -0.476 31.441 31.823 0.157 0.000 0.675 702 V HN 0.281 nan 8.190 nan 0.000 0.461 703 L N 1.554 122.730 121.223 -0.078 0.000 2.046 703 L HA -0.091 4.246 4.340 -0.004 0.000 0.208 703 L C 2.203 178.936 176.870 -0.228 0.000 1.077 703 L CA 2.703 57.277 54.840 -0.443 0.000 0.747 703 L CB -1.241 40.493 42.059 -0.541 0.000 0.896 703 L HN 0.524 nan 8.230 nan 0.000 0.432 704 D N -0.617 119.724 120.400 -0.098 0.000 2.117 704 D HA -0.131 4.507 4.640 -0.004 0.000 0.198 704 D C 2.090 178.365 176.300 -0.040 0.000 0.982 704 D CA 1.370 55.337 54.000 -0.054 0.000 0.828 704 D CB 0.051 40.839 40.800 -0.020 0.000 0.967 704 D HN 0.442 nan 8.370 nan 0.000 0.464 705 A N 0.007 122.809 122.820 -0.029 0.000 1.873 705 A HA -0.096 4.222 4.320 -0.004 0.000 0.215 705 A C 2.602 180.180 177.584 -0.009 0.000 1.186 705 A CA 1.479 53.508 52.037 -0.014 0.000 0.616 705 A CB -0.908 18.088 19.000 -0.007 0.000 0.823 705 A HN 0.192 nan 8.150 nan 0.000 0.442 706 V N 0.001 119.900 119.914 -0.026 0.000 2.332 706 V HA -0.223 3.895 4.120 -0.004 0.000 0.248 706 V C 2.520 178.606 176.094 -0.013 0.000 1.055 706 V CA 1.790 64.081 62.300 -0.014 0.000 1.038 706 V CB -0.590 31.205 31.823 -0.047 0.000 0.651 706 V HN 0.486 nan 8.190 nan 0.000 0.450 707 L N -0.311 120.883 121.223 -0.048 0.000 2.093 707 L HA -0.127 4.210 4.340 -0.004 0.000 0.208 707 L C 2.327 179.210 176.870 0.022 0.000 1.085 707 L CA 1.803 56.630 54.840 -0.021 0.000 0.755 707 L CB -1.268 40.767 42.059 -0.040 0.000 0.904 707 L HN 0.348 nan 8.230 nan 0.000 0.435 708 K N -0.492 119.917 120.400 0.015 0.000 2.147 708 K HA -0.166 4.152 4.320 -0.004 0.000 0.205 708 K C 1.907 178.538 176.600 0.052 0.000 1.049 708 K CA 1.064 57.365 56.287 0.024 0.000 0.936 708 K CB 0.023 32.527 32.500 0.008 0.000 0.722 708 K HN 0.423 nan 8.250 nan 0.000 0.446 709 E N 0.769 121.017 120.200 0.081 0.000 2.047 709 E HA -0.149 4.199 4.350 -0.004 0.000 0.191 709 E C 1.902 178.645 176.600 0.238 0.000 0.987 709 E CA 0.904 57.392 56.400 0.147 0.000 0.799 709 E CB -0.051 29.803 29.700 0.257 0.000 0.752 709 E HN 0.244 nan 8.360 nan 0.000 0.449 710 L N 0.719 122.075 121.223 0.222 0.000 2.362 710 L HA -0.134 4.204 4.340 -0.004 0.000 0.219 710 L C 1.933 178.966 176.870 0.272 0.000 1.134 710 L CA 0.869 55.877 54.840 0.281 0.000 0.807 710 L CB -0.131 41.990 42.059 0.103 0.000 0.927 710 L HN 0.104 nan 8.230 nan 0.000 0.447 711 E N -0.729 119.554 120.200 0.138 0.000 2.276 711 E HA -0.078 4.270 4.350 -0.004 0.000 0.193 711 E C 2.192 178.804 176.600 0.020 0.000 0.983 711 E CA 0.859 57.296 56.400 0.061 0.000 0.861 711 E CB 0.237 29.957 29.700 0.032 0.000 0.817 711 E HN 0.423 nan 8.360 nan 0.000 0.485 712 S N -0.729 114.994 115.700 0.038 0.000 2.489 712 S HA 0.074 4.542 4.470 -0.004 0.000 0.228 712 S C 1.731 176.328 174.600 -0.005 0.000 0.995 712 S CA 0.609 58.812 58.200 0.006 0.000 0.934 712 S CB 0.334 63.532 63.200 -0.003 0.000 0.771 712 S HN 0.340 nan 8.310 nan 0.000 0.522 713 G N 1.737 110.547 108.800 0.015 0.000 2.176 713 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.232 713 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.232 713 G C 0.724 175.613 174.900 -0.019 0.000 0.986 713 G CA 0.481 45.574 45.100 -0.012 0.000 0.643 713 G HN 0.578 nan 8.290 nan 0.000 0.522 714 K N -0.315 120.052 120.400 -0.055 0.000 2.113 714 K HA -0.089 4.229 4.320 -0.004 0.000 0.208 714 K C 1.668 178.091 176.600 -0.295 0.000 1.047 714 K CA 1.864 58.019 56.287 -0.221 0.000 0.928 714 K CB -0.210 32.060 32.500 -0.383 0.000 0.716 714 K HN 0.548 nan 8.250 nan 0.000 0.446 715 Y N -0.137 120.222 120.300 0.098 0.000 2.457 715 Y HA 0.111 4.659 4.550 -0.004 0.000 0.263 715 Y C 0.760 176.721 175.900 0.101 0.000 1.164 715 Y CA -0.003 58.159 58.100 0.103 0.000 1.274 715 Y CB 0.901 39.422 38.460 0.100 0.000 1.097 715 Y HN 0.101 nan 8.280 nan 0.000 0.523 716 S N -1.695 114.076 115.700 0.119 0.000 2.835 716 S HA 0.135 4.602 4.470 -0.004 0.000 0.248 716 S C -0.576 174.018 174.600 -0.011 0.000 1.070 716 S CA -0.644 57.549 58.200 -0.012 0.000 1.090 716 S CB -0.374 62.651 63.200 -0.291 0.000 0.978 716 S HN 0.323 nan 8.310 nan 0.000 0.510 717 D N 1.578 121.981 120.400 0.005 0.000 2.689 717 D HA -0.196 4.441 4.640 -0.004 0.000 0.237 717 D C 1.202 177.496 176.300 -0.011 0.000 1.148 717 D CA 1.443 55.442 54.000 -0.001 0.000 0.656 717 D CB -1.587 39.222 40.800 0.015 0.000 1.050 717 D HN 1.092 nan 8.370 nan 0.000 0.426 718 G N 0.525 109.312 108.800 -0.021 0.000 2.284 718 G HA2 -0.349 3.609 3.960 -0.004 0.000 0.247 718 G HA3 -0.349 3.609 3.960 -0.004 0.000 0.247 718 G C 0.117 175.008 174.900 -0.014 0.000 1.012 718 G CA 0.358 45.447 45.100 -0.018 0.000 0.618 718 G HN 0.561 nan 8.290 nan 0.000 0.521 719 D N 1.225 121.609 120.400 -0.026 0.000 2.346 719 D HA 0.321 4.959 4.640 -0.004 0.000 0.267 719 D C 1.518 177.787 176.300 -0.051 0.000 1.320 719 D CA 0.067 54.056 54.000 -0.018 0.000 0.951 719 D CB 0.305 41.085 40.800 -0.033 0.000 1.079 719 D HN 0.442 nan 8.370 nan 0.000 0.509 720 K N 1.937 122.348 120.400 0.017 0.000 2.442 720 K HA -0.109 4.209 4.320 -0.004 0.000 0.198 720 K C 0.450 176.903 176.600 -0.246 0.000 1.042 720 K CA 0.737 56.972 56.287 -0.087 0.000 0.958 720 K CB 0.129 32.577 32.500 -0.087 0.000 0.766 720 K HN 0.528 nan 8.250 nan 0.000 0.474 721 H N -1.217 117.786 119.070 -0.113 0.000 2.594 721 H HA 0.261 4.814 4.556 -0.004 0.000 0.279 721 H C 1.463 176.681 175.328 -0.184 0.000 1.042 721 H CA 0.211 56.189 56.048 -0.117 0.000 1.177 721 H CB 0.440 30.152 29.762 -0.082 0.000 1.524 721 H HN 0.144 nan 8.280 nan 0.000 0.537 722 A N 0.660 123.321 122.820 -0.264 0.000 1.884 722 A HA -0.203 4.115 4.320 -0.004 0.000 0.219 722 A C 1.022 178.356 177.584 -0.415 0.000 1.197 722 A CA 1.524 53.278 52.037 -0.473 0.000 0.637 722 A CB -0.788 17.500 19.000 -1.187 0.000 0.827 722 A HN 0.404 nan 8.150 nan 0.000 0.450 723 F N -0.601 119.371 119.950 0.037 0.000 2.837 723 F HA 0.216 4.741 4.527 -0.004 0.000 0.298 723 F C 1.053 176.837 175.800 -0.026 0.000 1.161 723 F CA -0.484 57.522 58.000 0.009 0.000 1.353 723 F CB 0.097 39.065 39.000 -0.053 0.000 0.951 723 F HN 0.059 nan 8.300 nan 0.000 0.508 724 D N 0.915 121.314 120.400 -0.002 0.000 2.123 724 D HA -0.188 4.449 4.640 -0.004 0.000 0.196 724 D C 2.080 178.243 176.300 -0.227 0.000 0.992 724 D CA 1.553 55.429 54.000 -0.206 0.000 0.833 724 D CB 0.063 40.688 40.800 -0.292 0.000 0.954 724 D HN 0.406 nan 8.370 nan 0.000 0.455 725 Q N -0.514 119.252 119.800 -0.057 0.000 2.050 725 Q HA -0.151 4.187 4.340 -0.004 0.000 0.202 725 Q C 2.246 178.296 176.000 0.082 0.000 0.980 725 Q CA 1.092 56.907 55.803 0.020 0.000 0.840 725 Q CB -0.174 28.605 28.738 0.069 0.000 0.898 725 Q HN 0.360 nan 8.270 nan 0.000 0.424 726 M N 0.199 119.853 119.600 0.089 0.000 2.086 726 M HA -0.185 4.293 4.480 -0.004 0.000 0.261 726 M C 1.689 178.074 176.300 0.142 0.000 1.067 726 M CA 1.266 56.614 55.300 0.079 0.000 1.116 726 M CB 0.042 32.667 32.600 0.042 0.000 1.348 726 M HN 0.198 nan 8.290 nan 0.000 0.407 727 L N 0.275 121.591 121.223 0.155 0.000 2.046 727 L HA -0.224 4.114 4.340 -0.004 0.000 0.208 727 L C 2.452 179.480 176.870 0.262 0.000 1.077 727 L CA 1.932 56.884 54.840 0.187 0.000 0.747 727 L CB -1.610 40.559 42.059 0.184 0.000 0.896 727 L HN 0.373 nan 8.230 nan 0.000 0.432 728 H N -1.125 117.993 119.070 0.080 0.000 2.389 728 H HA -0.070 4.483 4.556 -0.004 0.000 0.299 728 H C 2.478 177.855 175.328 0.082 0.000 1.081 728 H CA 1.288 57.378 56.048 0.069 0.000 1.345 728 H CB -0.474 29.329 29.762 0.069 0.000 1.393 728 H HN 0.444 nan 8.280 nan 0.000 0.520 729 S N 0.677 116.520 115.700 0.239 0.000 2.382 729 S HA -0.128 4.340 4.470 -0.004 0.000 0.228 729 S C 1.915 176.631 174.600 0.193 0.000 1.027 729 S CA 1.421 59.745 58.200 0.205 0.000 0.991 729 S CB -0.684 62.644 63.200 0.212 0.000 0.823 729 S HN 0.609 nan 8.310 nan 0.000 0.469 730 I N -1.070 119.612 120.570 0.187 0.000 3.875 730 I HA 0.494 4.661 4.170 -0.004 0.000 0.329 730 I C 0.953 177.116 176.117 0.077 0.000 1.295 730 I CA -0.412 60.979 61.300 0.151 0.000 1.129 730 I CB -0.531 37.564 38.000 0.159 0.000 1.008 730 I HN 0.268 nan 8.210 nan 0.000 0.413 731 G N 1.085 109.924 108.800 0.065 0.000 2.642 731 G HA2 0.215 4.172 3.960 -0.004 0.000 0.291 731 G HA3 0.215 4.172 3.960 -0.004 0.000 0.291 731 G C 0.438 175.315 174.900 -0.038 0.000 1.345 731 G CA -0.520 44.582 45.100 0.004 0.000 1.043 731 G HN 0.106 nan 8.290 nan 0.000 0.528 732 K N -0.866 119.492 120.400 -0.070 0.000 2.152 732 K HA -0.152 4.166 4.320 -0.004 0.000 0.206 732 K C 2.291 178.849 176.600 -0.070 0.000 1.048 732 K CA 1.694 57.935 56.287 -0.077 0.000 0.933 732 K CB -0.073 32.382 32.500 -0.076 0.000 0.721 732 K HN 0.565 nan 8.250 nan 0.000 0.447 733 Q N -0.378 119.363 119.800 -0.099 0.000 2.020 733 Q HA -0.127 4.211 4.340 -0.004 0.000 0.202 733 Q C 1.924 177.920 176.000 -0.007 0.000 0.982 733 Q CA 2.054 57.807 55.803 -0.083 0.000 0.838 733 Q CB -0.194 28.430 28.738 -0.191 0.000 0.899 733 Q HN 0.483 nan 8.270 nan 0.000 0.423 734 G N -1.282 107.537 108.800 0.031 0.000 2.453 734 G HA2 0.100 4.058 3.960 -0.004 0.000 0.215 734 G HA3 0.100 4.058 3.960 -0.004 0.000 0.215 734 G C 0.994 175.926 174.900 0.054 0.000 1.147 734 G CA 0.690 45.834 45.100 0.073 0.000 0.802 734 G HN 0.635 nan 8.290 nan 0.000 0.535 735 G N -0.038 108.777 108.800 0.024 0.000 2.175 735 G HA2 -0.247 3.710 3.960 -0.004 0.000 0.244 735 G HA3 -0.247 3.710 3.960 -0.004 0.000 0.244 735 G C 0.313 175.246 174.900 0.055 0.000 0.982 735 G CA 0.792 45.896 45.100 0.005 0.000 0.641 735 G HN 1.022 nan 8.290 nan 0.000 0.527 736 D N -0.646 119.818 120.400 0.106 0.000 2.735 736 D HA -0.131 4.507 4.640 -0.004 0.000 0.235 736 D C -0.343 176.081 176.300 0.205 0.000 1.175 736 D CA 1.184 55.301 54.000 0.195 0.000 0.683 736 D CB -0.616 40.311 40.800 0.212 0.000 1.008 736 D HN 0.396 nan 8.370 nan 0.000 0.416 737 P HA -0.150 nan 4.420 nan 0.000 0.220 737 P C 0.689 177.765 177.300 -0.373 0.000 1.144 737 P CA 1.225 64.215 63.100 -0.184 0.000 0.800 737 P CB -0.056 31.448 31.700 -0.325 0.000 0.772 738 Y N -1.698 118.655 120.300 0.088 0.000 2.607 738 Y HA 0.313 4.861 4.550 -0.004 0.000 0.266 738 Y C 0.895 176.773 175.900 -0.036 0.000 1.178 738 Y CA -0.511 57.616 58.100 0.046 0.000 1.226 738 Y CB -0.318 38.220 38.460 0.129 0.000 1.144 738 Y HN -0.314 nan 8.280 nan 0.000 0.528 739 L N -0.523 120.706 121.223 0.009 0.000 3.739 739 L HA -0.348 3.990 4.340 -0.004 0.000 0.442 739 L C 0.889 177.733 176.870 -0.043 0.000 1.241 739 L CA -0.317 54.436 54.840 -0.145 0.000 0.819 739 L CB -1.979 39.846 42.059 -0.390 0.000 1.679 739 L HN 0.176 nan 8.230 nan 0.000 0.889 740 V N -0.851 119.080 119.914 0.028 0.000 2.307 740 V HA -0.297 3.821 4.120 -0.004 0.000 0.245 740 V C 2.417 178.548 176.094 0.062 0.000 1.045 740 V CA 2.313 64.603 62.300 -0.016 0.000 1.024 740 V CB -0.265 31.486 31.823 -0.119 0.000 0.651 740 V HN 0.522 nan 8.190 nan 0.000 0.449 741 M N 0.310 119.951 119.600 0.068 0.000 2.065 741 M HA -0.138 4.340 4.480 -0.004 0.000 0.259 741 M C 2.455 178.789 176.300 0.057 0.000 1.069 741 M CA 2.355 57.714 55.300 0.099 0.000 1.110 741 M CB -1.736 30.928 32.600 0.107 0.000 1.328 741 M HN 0.390 nan 8.290 nan 0.000 0.405 742 A N -0.162 122.482 122.820 -0.294 0.000 1.978 742 A HA -0.172 4.146 4.320 -0.004 0.000 0.220 742 A C 1.765 179.301 177.584 -0.079 0.000 1.170 742 A CA 1.941 53.507 52.037 -0.785 0.000 0.636 742 A CB -0.582 17.716 19.000 -1.170 0.000 0.810 742 A HN 0.461 nan 8.150 nan 0.000 0.448 743 D N -2.276 118.178 120.400 0.091 0.000 2.349 743 D HA 0.117 4.755 4.640 -0.004 0.000 0.214 743 D C 1.214 177.703 176.300 0.315 0.000 1.063 743 D CA -0.131 54.010 54.000 0.235 0.000 0.847 743 D CB -0.154 40.770 40.800 0.207 0.000 0.933 743 D HN 0.453 nan 8.370 nan 0.000 0.513 744 F N 2.379 122.434 119.950 0.174 0.000 2.043 744 F HA -0.281 4.244 4.527 -0.004 0.000 0.297 744 F C 2.218 178.148 175.800 0.217 0.000 1.121 744 F CA 2.102 60.223 58.000 0.202 0.000 1.199 744 F CB -0.064 39.038 39.000 0.170 0.000 0.968 744 F HN -0.019 nan 8.300 nan 0.000 0.478 745 A N 0.444 123.432 122.820 0.280 0.000 1.883 745 A HA -0.143 4.175 4.320 -0.004 0.000 0.217 745 A C 2.385 179.981 177.584 0.021 0.000 1.186 745 A CA 2.077 54.183 52.037 0.114 0.000 0.624 745 A CB -1.692 17.473 19.000 0.274 0.000 0.822 745 A HN 0.597 nan 8.150 nan 0.000 0.444 746 A N -1.504 121.398 122.820 0.136 0.000 1.908 746 A HA -0.172 4.146 4.320 -0.004 0.000 0.218 746 A C 2.175 179.790 177.584 0.051 0.000 1.181 746 A CA 1.889 54.021 52.037 0.158 0.000 0.627 746 A CB -0.853 18.306 19.000 0.265 0.000 0.818 746 A HN 0.756 nan 8.150 nan 0.000 0.445 747 Y N 0.691 120.832 120.300 -0.266 0.000 2.145 747 Y HA -0.151 4.397 4.550 -0.004 0.000 0.286 747 Y C 2.398 177.875 175.900 -0.705 0.000 1.145 747 Y CA 1.578 59.150 58.100 -0.881 0.000 1.148 747 Y CB -0.565 37.455 38.460 -0.734 0.000 0.981 747 Y HN 0.060 nan 8.280 nan 0.000 0.507 748 V N 0.343 119.893 119.914 -0.606 0.000 2.332 748 V HA -0.273 3.845 4.120 -0.004 0.000 0.248 748 V C 2.281 178.150 176.094 -0.374 0.000 1.055 748 V CA 2.220 64.184 62.300 -0.560 0.000 1.038 748 V CB -0.610 30.949 31.823 -0.439 0.000 0.651 748 V HN 0.250 nan 8.190 nan 0.000 0.450 749 E N 0.370 120.424 120.200 -0.243 0.000 2.047 749 E HA -0.116 4.231 4.350 -0.004 0.000 0.191 749 E C 2.304 178.817 176.600 -0.145 0.000 0.987 749 E CA 1.521 57.843 56.400 -0.131 0.000 0.799 749 E CB -0.771 28.905 29.700 -0.040 0.000 0.752 749 E HN 0.535 nan 8.360 nan 0.000 0.449 750 A N 0.462 123.170 122.820 -0.187 0.000 1.883 750 A HA -0.281 4.037 4.320 -0.004 0.000 0.217 750 A C 2.188 179.578 177.584 -0.324 0.000 1.186 750 A CA 2.011 53.967 52.037 -0.134 0.000 0.624 750 A CB -0.668 18.252 19.000 -0.133 0.000 0.822 750 A HN 0.217 nan 8.150 nan 0.000 0.444 751 Q N -0.142 119.332 119.800 -0.543 0.000 2.226 751 Q HA -0.098 4.239 4.340 -0.004 0.000 0.204 751 Q C 1.854 177.651 176.000 -0.340 0.000 0.975 751 Q CA 1.860 57.306 55.803 -0.595 0.000 0.866 751 Q CB -0.247 27.909 28.738 -0.970 0.000 0.915 751 Q HN 0.721 nan 8.270 nan 0.000 0.440 752 K N -0.783 119.483 120.400 -0.223 0.000 2.103 752 K HA -0.079 4.238 4.320 -0.004 0.000 0.204 752 K C 1.999 178.560 176.600 -0.065 0.000 1.052 752 K CA 0.909 57.133 56.287 -0.105 0.000 0.945 752 K CB 0.117 32.581 32.500 -0.061 0.000 0.722 752 K HN 0.200 nan 8.250 nan 0.000 0.443 753 Q N 0.584 120.354 119.800 -0.049 0.000 2.135 753 Q HA -0.131 4.207 4.340 -0.004 0.000 0.204 753 Q C 2.265 178.319 176.000 0.091 0.000 0.981 753 Q CA 1.098 56.965 55.803 0.107 0.000 0.856 753 Q CB -0.475 28.448 28.738 0.308 0.000 0.902 753 Q HN 0.138 nan 8.270 nan 0.000 0.425 754 V N 1.821 121.552 119.914 -0.305 0.000 2.282 754 V HA -0.286 3.832 4.120 -0.004 0.000 0.249 754 V C 1.594 177.707 176.094 0.032 0.000 1.057 754 V CA 2.261 64.360 62.300 -0.335 0.000 1.032 754 V CB -0.672 30.831 31.823 -0.533 0.000 0.645 754 V HN 0.272 nan 8.190 nan 0.000 0.447 755 D N -0.190 120.192 120.400 -0.029 0.000 2.104 755 D HA -0.154 4.483 4.640 -0.004 0.000 0.194 755 D C 2.109 178.472 176.300 0.105 0.000 0.994 755 D CA 1.499 55.508 54.000 0.016 0.000 0.830 755 D CB -0.441 40.352 40.800 -0.011 0.000 0.959 755 D HN 0.285 nan 8.370 nan 0.000 0.452 756 V N 0.576 120.558 119.914 0.113 0.000 2.255 756 V HA -0.230 3.887 4.120 -0.004 0.000 0.247 756 V C 2.358 178.570 176.094 0.196 0.000 1.051 756 V CA 1.354 63.733 62.300 0.133 0.000 1.018 756 V CB -0.548 31.348 31.823 0.123 0.000 0.641 756 V HN 0.177 nan 8.190 nan 0.000 0.445 757 L N -1.002 120.412 121.223 0.317 0.000 2.056 757 L HA -0.156 4.182 4.340 -0.004 0.000 0.207 757 L C 2.280 179.441 176.870 0.485 0.000 1.078 757 L CA 1.922 57.015 54.840 0.421 0.000 0.749 757 L CB -0.849 41.573 42.059 0.605 0.000 0.901 757 L HN 0.412 nan 8.230 nan 0.000 0.433 758 Y N 0.325 120.801 120.300 0.293 0.000 2.224 758 Y HA -0.230 4.318 4.550 -0.004 0.000 0.289 758 Y C 2.644 178.484 175.900 -0.100 0.000 1.146 758 Y CA 1.678 59.697 58.100 -0.134 0.000 1.182 758 Y CB -0.115 38.032 38.460 -0.522 0.000 0.983 758 Y HN 0.131 nan 8.280 nan 0.000 0.524 759 R N -0.271 120.266 120.500 0.063 0.000 2.193 759 R HA -0.134 4.204 4.340 -0.004 0.000 0.229 759 R C 0.198 176.479 176.300 -0.032 0.000 1.110 759 R CA 1.135 57.234 56.100 -0.001 0.000 0.988 759 R CB -0.257 30.069 30.300 0.043 0.000 0.871 759 R HN 0.195 nan 8.270 nan 0.000 0.458 760 D N 0.565 120.975 120.400 0.018 0.000 2.557 760 D HA 0.027 4.665 4.640 -0.004 0.000 0.236 760 D C 0.693 177.008 176.300 0.026 0.000 1.154 760 D CA -0.046 53.972 54.000 0.030 0.000 0.985 760 D CB 0.591 41.435 40.800 0.074 0.000 1.010 760 D HN 0.034 nan 8.370 nan 0.000 0.516 761 Q N 1.252 121.012 119.800 -0.066 0.000 2.103 761 Q HA -0.281 4.057 4.340 -0.004 0.000 0.213 761 Q C 1.523 177.549 176.000 0.045 0.000 1.008 761 Q CA 1.989 57.745 55.803 -0.079 0.000 0.879 761 Q CB 0.171 28.843 28.738 -0.110 0.000 0.946 761 Q HN 0.614 nan 8.270 nan 0.000 0.413 762 E N -0.843 119.378 120.200 0.034 0.000 2.077 762 E HA -0.218 4.130 4.350 -0.004 0.000 0.193 762 E C 1.785 178.421 176.600 0.059 0.000 0.989 762 E CA 1.034 57.462 56.400 0.045 0.000 0.800 762 E CB -0.120 29.596 29.700 0.026 0.000 0.746 762 E HN 0.426 nan 8.360 nan 0.000 0.452 763 A N 1.513 124.375 122.820 0.069 0.000 1.969 763 A HA -0.166 4.152 4.320 -0.004 0.000 0.218 763 A C 1.970 179.605 177.584 0.086 0.000 1.169 763 A CA 1.080 53.154 52.037 0.061 0.000 0.635 763 A CB -1.032 18.008 19.000 0.066 0.000 0.810 763 A HN 0.705 nan 8.150 nan 0.000 0.445 764 W N 1.162 122.449 121.300 -0.021 0.000 2.380 764 W HA -0.138 4.520 4.660 -0.004 0.000 0.317 764 W C 1.787 178.311 176.519 0.009 0.000 1.196 764 W CA 2.237 59.587 57.345 0.007 0.000 1.307 764 W CB -0.923 28.509 29.460 -0.046 0.000 1.157 764 W HN 0.347 nan 8.180 nan 0.000 0.483 765 T N 1.086 115.793 114.554 0.255 0.000 2.759 765 T HA -0.259 4.088 4.350 -0.004 0.000 0.269 765 T C 1.951 176.617 174.700 -0.057 0.000 1.042 765 T CA 2.058 64.251 62.100 0.156 0.000 1.140 765 T CB -0.431 68.542 68.868 0.174 0.000 0.864 765 T HN 0.185 nan 8.240 nan 0.000 0.455 766 R N 0.751 121.223 120.500 -0.047 0.000 2.081 766 R HA -0.060 4.278 4.340 -0.004 0.000 0.235 766 R C 2.605 178.812 176.300 -0.154 0.000 1.131 766 R CA 1.450 57.495 56.100 -0.091 0.000 0.960 766 R CB -0.430 29.837 30.300 -0.054 0.000 0.856 766 R HN 0.381 nan 8.270 nan 0.000 0.436 767 A N 0.631 123.337 122.820 -0.189 0.000 1.902 767 A HA -0.101 4.217 4.320 -0.004 0.000 0.217 767 A C 2.345 179.770 177.584 -0.264 0.000 1.181 767 A CA 1.671 53.557 52.037 -0.250 0.000 0.623 767 A CB -0.771 18.021 19.000 -0.346 0.000 0.818 767 A HN 0.541 nan 8.150 nan 0.000 0.443 768 A N 0.043 122.687 122.820 -0.294 0.000 1.877 768 A HA -0.097 4.221 4.320 -0.004 0.000 0.216 768 A C 2.108 179.598 177.584 -0.158 0.000 1.186 768 A CA 1.535 53.476 52.037 -0.159 0.000 0.620 768 A CB -0.669 18.360 19.000 0.048 0.000 0.822 768 A HN 0.493 nan 8.150 nan 0.000 0.443 769 I N -0.191 120.144 120.570 -0.391 0.000 2.264 769 I HA -0.285 3.883 4.170 -0.004 0.000 0.248 769 I C 2.256 178.260 176.117 -0.189 0.000 1.111 769 I CA 1.180 62.199 61.300 -0.469 0.000 1.382 769 I CB -0.310 37.440 38.000 -0.417 0.000 1.060 769 I HN 0.302 nan 8.210 nan 0.000 0.418 770 L N 0.042 121.172 121.223 -0.156 0.000 2.201 770 L HA -0.170 4.168 4.340 -0.004 0.000 0.212 770 L C 2.262 179.092 176.870 -0.067 0.000 1.105 770 L CA 1.038 55.816 54.840 -0.103 0.000 0.775 770 L CB -0.703 41.291 42.059 -0.108 0.000 0.913 770 L HN 0.361 nan 8.230 nan 0.000 0.440 771 N N -0.501 118.158 118.700 -0.068 0.000 2.142 771 N HA -0.139 4.599 4.740 -0.004 0.000 0.186 771 N C 1.727 177.249 175.510 0.019 0.000 1.023 771 N CA 1.857 54.891 53.050 -0.027 0.000 0.852 771 N CB 0.014 38.479 38.487 -0.037 0.000 0.998 771 N HN 0.284 nan 8.380 nan 0.000 0.424 772 T N 1.331 115.904 114.554 0.032 0.000 2.708 772 T HA -0.073 4.274 4.350 -0.004 0.000 0.266 772 T C 2.054 176.768 174.700 0.023 0.000 1.037 772 T CA 1.272 63.406 62.100 0.057 0.000 1.146 772 T CB -0.306 68.639 68.868 0.127 0.000 0.865 772 T HN 0.308 nan 8.240 nan 0.000 0.435 773 A N 2.811 125.628 122.820 -0.006 0.000 1.873 773 A HA -0.133 4.184 4.320 -0.004 0.000 0.218 773 A C 1.863 179.449 177.584 0.004 0.000 1.193 773 A CA 1.152 53.179 52.037 -0.017 0.000 0.629 773 A CB -0.328 18.648 19.000 -0.040 0.000 0.826 773 A HN 0.398 nan 8.150 nan 0.000 0.447 774 R N -2.710 117.798 120.500 0.014 0.000 2.568 774 R HA 0.346 4.684 4.340 -0.004 0.000 0.206 774 R C 1.073 177.425 176.300 0.086 0.000 1.178 774 R CA 0.098 56.218 56.100 0.033 0.000 1.040 774 R CB -1.340 28.980 30.300 0.033 0.000 1.562 774 R HN 0.647 nan 8.270 nan 0.000 0.512 775 C N -0.920 118.475 119.300 0.159 0.000 4.570 775 C HA -0.124 4.333 4.460 -0.004 0.000 0.280 775 C C 2.044 177.163 174.990 0.216 0.000 1.622 775 C CA 0.801 60.032 59.018 0.355 0.000 1.837 775 C CB -2.280 25.649 27.740 0.315 0.000 1.869 775 C HN 1.028 nan 8.230 nan 0.000 0.686 776 G N 0.661 109.504 108.800 0.071 0.000 2.448 776 G HA2 -0.163 3.795 3.960 -0.004 0.000 0.219 776 G HA3 -0.163 3.795 3.960 -0.004 0.000 0.219 776 G C 1.215 176.101 174.900 -0.023 0.000 1.127 776 G CA 1.121 46.250 45.100 0.049 0.000 0.766 776 G HN 0.902 nan 8.290 nan 0.000 0.552 777 M N -1.510 117.975 119.600 -0.191 0.000 2.632 777 M HA 0.324 4.802 4.480 -0.004 0.000 0.256 777 M C 0.990 177.026 176.300 -0.439 0.000 1.080 777 M CA 1.067 56.154 55.300 -0.355 0.000 1.084 777 M CB -0.319 31.965 32.600 -0.527 0.000 1.439 777 M HN 0.031 nan 8.290 nan 0.000 0.509 778 F N 0.934 120.911 119.950 0.046 0.000 2.664 778 F HA 0.300 4.825 4.527 -0.004 0.000 0.301 778 F C 1.219 177.070 175.800 0.085 0.000 1.126 778 F CA -0.611 57.424 58.000 0.058 0.000 1.373 778 F CB -0.141 38.884 39.000 0.042 0.000 1.042 778 F HN 0.170 nan 8.300 nan 0.000 0.535 779 S N 0.197 115.996 115.700 0.166 0.000 2.548 779 S HA 0.061 4.529 4.470 -0.004 0.000 0.277 779 S C 1.472 176.170 174.600 0.163 0.000 1.315 779 S CA -0.168 58.131 58.200 0.165 0.000 1.050 779 S CB 0.881 64.150 63.200 0.114 0.000 0.918 779 S HN 0.351 nan 8.310 nan 0.000 0.497 780 S N 3.294 119.120 115.700 0.210 0.000 2.469 780 S HA -0.101 4.367 4.470 -0.004 0.000 0.238 780 S C 1.006 175.666 174.600 0.099 0.000 0.998 780 S CA 0.903 59.251 58.200 0.247 0.000 0.957 780 S CB -0.437 62.995 63.200 0.387 0.000 0.764 780 S HN 0.798 nan 8.310 nan 0.000 0.514 781 D N 1.917 122.363 120.400 0.076 0.000 2.117 781 D HA -0.093 4.545 4.640 -0.004 0.000 0.197 781 D C 2.108 178.407 176.300 -0.002 0.000 0.987 781 D CA 0.876 54.894 54.000 0.029 0.000 0.829 781 D CB -0.358 40.462 40.800 0.033 0.000 0.961 781 D HN 0.267 nan 8.370 nan 0.000 0.460 782 R N 1.065 121.566 120.500 0.003 0.000 2.081 782 R HA -0.066 4.271 4.340 -0.004 0.000 0.235 782 R C 2.026 178.291 176.300 -0.059 0.000 1.131 782 R CA 1.088 57.169 56.100 -0.031 0.000 0.960 782 R CB -0.465 29.809 30.300 -0.042 0.000 0.856 782 R HN 0.052 nan 8.270 nan 0.000 0.436 783 S N 1.248 116.927 115.700 -0.035 0.000 2.359 783 S HA -0.121 4.347 4.470 -0.004 0.000 0.224 783 S C 2.003 176.505 174.600 -0.162 0.000 1.035 783 S CA 1.291 59.448 58.200 -0.071 0.000 1.018 783 S CB -0.198 63.032 63.200 0.049 0.000 0.876 783 S HN 0.239 nan 8.310 nan 0.000 0.448 784 I N 1.736 122.183 120.570 -0.204 0.000 2.226 784 I HA -0.123 4.045 4.170 -0.004 0.000 0.245 784 I C 2.394 178.455 176.117 -0.094 0.000 1.100 784 I CA 1.368 62.567 61.300 -0.169 0.000 1.374 784 I CB -1.126 36.825 38.000 -0.081 0.000 1.057 784 I HN 0.275 nan 8.210 nan 0.000 0.413 785 R N 0.455 120.911 120.500 -0.074 0.000 2.120 785 R HA -0.160 4.178 4.340 -0.004 0.000 0.234 785 R C 1.843 178.076 176.300 -0.113 0.000 1.123 785 R CA 1.284 57.349 56.100 -0.058 0.000 0.975 785 R CB -0.180 30.095 30.300 -0.042 0.000 0.866 785 R HN 0.374 nan 8.270 nan 0.000 0.446 786 D N -0.260 120.037 120.400 -0.172 0.000 2.117 786 D HA -0.152 4.485 4.640 -0.004 0.000 0.198 786 D C 1.666 177.743 176.300 -0.371 0.000 0.982 786 D CA 1.295 55.146 54.000 -0.248 0.000 0.828 786 D CB -0.253 40.373 40.800 -0.290 0.000 0.967 786 D HN 0.185 nan 8.370 nan 0.000 0.464 787 Y N 1.508 121.492 120.300 -0.528 0.000 2.145 787 Y HA -0.159 4.389 4.550 -0.004 0.000 0.286 787 Y C 2.623 178.078 175.900 -0.742 0.000 1.145 787 Y CA 1.214 58.750 58.100 -0.940 0.000 1.148 787 Y CB -0.338 37.009 38.460 -1.855 0.000 0.981 787 Y HN 0.025 nan 8.280 nan 0.000 0.507 788 Q N -0.553 119.112 119.800 -0.226 0.000 2.030 788 Q HA -0.258 4.080 4.340 -0.004 0.000 0.204 788 Q C 2.580 178.582 176.000 0.003 0.000 0.986 788 Q CA 1.720 57.556 55.803 0.056 0.000 0.843 788 Q CB -0.485 28.319 28.738 0.111 0.000 0.904 788 Q HN 0.523 nan 8.270 nan 0.000 0.420 789 A N 0.976 123.764 122.820 -0.054 0.000 1.858 789 A HA -0.202 4.115 4.320 -0.004 0.000 0.216 789 A C 2.049 179.600 177.584 -0.055 0.000 1.190 789 A CA 1.713 53.725 52.037 -0.041 0.000 0.617 789 A CB -0.397 18.572 19.000 -0.051 0.000 0.827 789 A HN 0.162 nan 8.150 nan 0.000 0.443 790 R N -1.248 119.172 120.500 -0.132 0.000 2.153 790 R HA 0.246 4.584 4.340 -0.004 0.000 0.218 790 R C 1.354 177.517 176.300 -0.228 0.000 1.072 790 R CA 1.355 57.357 56.100 -0.163 0.000 0.990 790 R CB -0.085 30.072 30.300 -0.238 0.000 0.889 790 R HN 0.659 nan 8.270 nan 0.000 0.452 791 I N -3.438 117.021 120.570 -0.185 0.000 3.685 791 I HA 0.020 4.188 4.170 -0.004 0.000 0.258 791 I C 1.059 177.359 176.117 0.306 0.000 1.135 791 I CA -0.248 61.050 61.300 -0.003 0.000 1.436 791 I CB -0.303 37.607 38.000 -0.150 0.000 1.670 791 I HN 0.026 nan 8.210 nan 0.000 0.424 792 W N 2.271 123.672 121.300 0.170 0.000 2.358 792 W HA -0.082 4.577 4.660 -0.003 0.000 0.303 792 W C 1.892 178.446 176.519 0.058 0.000 1.208 792 W CA 0.765 58.192 57.345 0.137 0.000 1.274 792 W CB -0.800 28.723 29.460 0.104 0.000 1.138 792 W HN 0.258 nan 8.180 nan 0.000 0.515 793 Q N -1.005 118.945 119.800 0.250 0.000 2.179 793 Q HA 0.346 4.684 4.340 -0.004 0.000 0.213 793 Q C 0.666 176.701 176.000 0.059 0.000 0.833 793 Q CA 0.029 55.907 55.803 0.125 0.000 0.990 793 Q CB -0.113 28.691 28.738 0.110 0.000 1.132 793 Q HN 0.011 nan 8.270 nan 0.000 0.493 794 A N 1.177 124.035 122.820 0.062 0.000 2.366 794 A HA 0.390 4.707 4.320 -0.004 0.000 0.250 794 A C 1.199 178.779 177.584 -0.008 0.000 1.099 794 A CA 0.434 52.492 52.037 0.035 0.000 0.794 794 A CB 0.127 19.167 19.000 0.065 0.000 1.056 794 A HN 0.268 nan 8.150 nan 0.000 0.499 795 K N 0.296 120.692 120.400 -0.007 0.000 2.965 795 K HA 0.160 4.478 4.320 -0.004 0.000 0.248 795 K C 0.641 177.192 176.600 -0.082 0.000 0.874 795 K CA 1.234 57.501 56.287 -0.033 0.000 1.063 795 K CB -0.872 31.623 32.500 -0.009 0.000 0.923 795 K HN 0.710 nan 8.250 nan 0.000 0.461 796 R N 0.000 120.423 120.500 -0.129 0.000 2.786 796 R HA 0.000 4.338 4.340 -0.004 0.000 0.208 796 R CA 0.000 55.899 56.100 -0.335 0.000 0.921 796 R CB 0.000 30.086 30.300 -0.357 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535