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 1ukq_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GScTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG ITAIWISQPV ENIYSVINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTMQDFKN LIDTAHAHNI KVIIDFAPNH TSPASSDDPS DATA SEQUENCE FAENGRLYDN GNLLGGYTND TQNLFHHYGG TDFSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKHMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL GVNEISPEYH QFANESGMSL LDFRFAQKAR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS EVDYAQVNDQ VTFIDNHDME RFHTSNGDRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GSEQYMSGGN DPDNRARLPS FSTTTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTH ERWINNDVII YERKFGNNVA VVAINRNMNT PASITGLVTS DATA SEQUENCE LPRGSYNDVL GGILNGNTLT VGAGGAASNF TLAPGGTAVW QYTTDATTPI DATA SEQUENCE IGNVGPMMAK PGVTITIDGR GFGSGKGTVY FGTTAVTGAD IVAWEDTQIQ DATA SEQUENCE VKIPAVPGGI YDIRVANAAG AASNIYDNFE VLTGDQVTVR FVINNATTAL DATA SEQUENCE GQNVFLTGNV SELGNWDPNN AIGPMYNQVV YQYPTWYYDV SVPAGQTIEF DATA SEQUENCE KFLKKQGSTV TWEGGANRTF TTPTSGTATV NVNWQP 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.566 177.584 -0.030 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.029 0.000 0.836 1 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 2 P HA 0.168 nan 4.420 nan 0.000 0.272 2 P C 0.061 177.336 177.300 -0.042 0.000 1.230 2 P CA 0.307 63.388 63.100 -0.033 0.000 0.788 2 P CB 0.590 32.269 31.700 -0.036 0.000 0.949 3 D N 0.524 120.908 120.400 -0.027 0.000 2.190 3 D HA -0.168 4.471 4.640 -0.000 0.000 0.200 3 D C 1.057 177.322 176.300 -0.058 0.000 0.992 3 D CA 2.060 56.050 54.000 -0.017 0.000 0.854 3 D CB -1.281 39.549 40.800 0.051 0.000 0.936 3 D HN 0.453 nan 8.370 nan 0.000 0.462 4 T N -2.798 111.711 114.554 -0.075 0.000 3.129 4 T HA 0.096 4.446 4.350 -0.000 0.000 0.251 4 T C 0.992 175.615 174.700 -0.129 0.000 1.117 4 T CA -0.222 61.809 62.100 -0.115 0.000 1.034 4 T CB -0.076 68.730 68.868 -0.104 0.000 0.968 4 T HN 0.105 nan 8.240 nan 0.000 0.526 5 S N 0.593 116.224 115.700 -0.115 0.000 2.568 5 S HA 0.179 4.649 4.470 -0.000 0.000 0.282 5 S C 1.544 176.046 174.600 -0.164 0.000 1.338 5 S CA -0.289 57.839 58.200 -0.121 0.000 1.045 5 S CB 1.107 64.246 63.200 -0.102 0.000 0.873 5 S HN 0.242 nan 8.310 nan 0.000 0.516 6 V N 4.777 124.592 119.914 -0.166 0.000 2.469 6 V HA -0.116 4.003 4.120 -0.000 0.000 0.251 6 V C 2.012 177.959 176.094 -0.245 0.000 1.064 6 V CA 2.708 64.882 62.300 -0.209 0.000 1.066 6 V CB -0.815 30.901 31.823 -0.178 0.000 0.667 6 V HN 0.969 nan 8.190 nan 0.000 0.461 7 S N 0.687 116.263 115.700 -0.207 0.000 2.537 7 S HA -0.090 4.380 4.470 -0.000 0.000 0.240 7 S C 1.113 175.634 174.600 -0.132 0.000 0.981 7 S CA 0.763 58.855 58.200 -0.180 0.000 0.948 7 S CB -0.670 62.451 63.200 -0.131 0.000 0.759 7 S HN 0.736 nan 8.310 nan 0.000 0.531 8 N N 2.142 120.754 118.700 -0.147 0.000 2.663 8 N HA 0.121 4.860 4.740 -0.000 0.000 0.250 8 N C 0.385 175.841 175.510 -0.090 0.000 1.129 8 N CA -0.025 52.959 53.050 -0.109 0.000 0.995 8 N CB 0.230 38.641 38.487 -0.126 0.000 1.324 8 N HN 0.229 nan 8.380 nan 0.000 0.512 9 K N 1.611 122.020 120.400 0.016 0.000 2.418 9 K HA 0.001 4.320 4.320 -0.000 0.000 0.195 9 K C 0.921 177.710 176.600 0.315 0.000 1.035 9 K CA 0.568 56.967 56.287 0.186 0.000 1.003 9 K CB 0.478 33.072 32.500 0.157 0.000 0.793 9 K HN 0.401 nan 8.250 nan 0.000 0.494 10 Q N 0.509 120.420 119.800 0.185 0.000 2.212 10 Q HA 0.054 4.393 4.340 -0.000 0.000 0.199 10 Q C -0.308 175.835 176.000 0.239 0.000 0.950 10 Q CA 0.912 56.835 55.803 0.199 0.000 0.863 10 Q CB 0.362 29.162 28.738 0.104 0.000 0.944 10 Q HN 0.255 nan 8.270 nan 0.000 0.465 11 N N -1.223 117.575 118.700 0.162 0.000 2.235 11 N HA 0.359 5.099 4.740 -0.000 0.000 0.293 11 N C -1.243 174.258 175.510 -0.015 0.000 1.083 11 N CA -0.404 52.672 53.050 0.043 0.000 0.801 11 N CB 1.262 39.759 38.487 0.018 0.000 1.559 11 N HN -0.113 nan 8.380 nan 0.000 0.472 12 F N 0.212 119.769 119.950 -0.656 0.000 2.724 12 F HA 0.262 4.789 4.527 -0.001 0.000 0.310 12 F C 1.429 176.956 175.800 -0.456 0.000 1.107 12 F CA -0.300 57.336 58.000 -0.608 0.000 1.218 12 F CB 0.353 38.776 39.000 -0.961 0.000 1.042 12 F HN 0.427 nan 8.300 nan 0.000 0.540 13 S N -0.819 114.743 115.700 -0.231 0.000 2.442 13 S HA -0.159 4.311 4.470 -0.000 0.000 0.236 13 S C 2.067 176.457 174.600 -0.350 0.000 1.007 13 S CA 1.670 59.708 58.200 -0.270 0.000 0.965 13 S CB -0.639 62.410 63.200 -0.251 0.000 0.773 13 S HN 0.519 nan 8.310 nan 0.000 0.504 14 T N -0.537 113.808 114.554 -0.348 0.000 3.129 14 T HA 0.140 4.490 4.350 -0.000 0.000 0.251 14 T C 0.045 174.592 174.700 -0.255 0.000 1.117 14 T CA -0.167 61.731 62.100 -0.337 0.000 1.034 14 T CB -0.064 68.624 68.868 -0.301 0.000 0.968 14 T HN 0.112 nan 8.240 nan 0.000 0.526 15 D N 0.840 121.100 120.400 -0.233 0.000 2.272 15 D HA 0.534 5.174 4.640 -0.000 0.000 0.247 15 D C -0.855 175.385 176.300 -0.100 0.000 0.990 15 D CA -0.472 53.422 54.000 -0.177 0.000 0.931 15 D CB 2.654 43.327 40.800 -0.211 0.000 1.195 15 D HN 0.022 nan 8.370 nan 0.000 0.477 16 V N 1.961 121.844 119.914 -0.051 0.000 2.487 16 V HA 0.358 4.478 4.120 -0.000 0.000 0.298 16 V C 0.242 176.391 176.094 0.093 0.000 1.028 16 V CA -0.730 61.571 62.300 0.003 0.000 0.860 16 V CB 1.669 33.478 31.823 -0.022 0.000 0.991 16 V HN 0.370 nan 8.190 nan 0.000 0.427 17 I N 4.505 125.175 120.570 0.167 0.000 2.396 17 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 17 I C -0.861 175.459 176.117 0.339 0.000 0.999 17 I CA -0.452 61.022 61.300 0.289 0.000 1.310 17 I CB 0.944 39.153 38.000 0.348 0.000 1.404 17 I HN 0.628 nan 8.210 nan 0.000 0.496 18 Y N 6.367 126.787 120.300 0.200 0.000 2.356 18 Y HA 0.248 4.798 4.550 -0.000 0.000 0.334 18 Y C 0.038 176.052 175.900 0.189 0.000 0.958 18 Y CA -0.547 57.647 58.100 0.158 0.000 1.196 18 Y CB 0.956 39.464 38.460 0.079 0.000 1.137 18 Y HN 0.509 nan 8.280 nan 0.000 0.485 19 Q N 7.174 126.907 119.800 -0.111 0.000 2.314 19 Q HA 0.399 4.739 4.340 -0.000 0.000 0.257 19 Q C -1.330 174.531 176.000 -0.231 0.000 0.975 19 Q CA -0.329 55.357 55.803 -0.196 0.000 0.933 19 Q CB 0.604 29.068 28.738 -0.456 0.000 1.195 19 Q HN 0.778 nan 8.270 nan 0.000 0.426 20 I N 4.295 124.727 120.570 -0.229 0.000 2.377 20 I HA 0.236 4.406 4.170 -0.000 0.000 0.293 20 I C -0.547 175.434 176.117 -0.227 0.000 0.987 20 I CA -0.645 60.474 61.300 -0.302 0.000 1.185 20 I CB 1.096 38.906 38.000 -0.316 0.000 1.341 20 I HN 0.624 nan 8.210 nan 0.000 0.455 21 F N 5.144 124.712 119.950 -0.636 0.000 2.368 21 F HA 0.101 4.628 4.527 -0.000 0.000 0.362 21 F C 1.697 177.277 175.800 -0.367 0.000 1.137 21 F CA -0.206 57.555 58.000 -0.398 0.000 1.161 21 F CB 1.009 39.853 39.000 -0.261 0.000 1.265 21 F HN 0.584 nan 8.300 nan 0.000 0.530 22 T N 1.356 115.713 114.554 -0.329 0.000 2.721 22 T HA -0.320 4.029 4.350 -0.000 0.000 0.268 22 T C 1.578 176.180 174.700 -0.163 0.000 1.038 22 T CA 2.039 63.941 62.100 -0.329 0.000 1.145 22 T CB -0.216 68.166 68.868 -0.809 0.000 0.858 22 T HN 0.608 nan 8.240 nan 0.000 0.459 23 D N 0.259 120.613 120.400 -0.077 0.000 2.264 23 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 23 D C 1.922 178.290 176.300 0.114 0.000 0.966 23 D CA 0.644 54.724 54.000 0.132 0.000 0.864 23 D CB 0.179 41.129 40.800 0.249 0.000 0.933 23 D HN 0.109 nan 8.370 nan 0.000 0.499 24 R N -0.829 119.713 120.500 0.069 0.000 2.472 24 R HA 0.135 4.474 4.340 -0.000 0.000 0.279 24 R C 0.658 177.000 176.300 0.070 0.000 0.953 24 R CA -0.161 55.969 56.100 0.050 0.000 1.088 24 R CB -0.201 30.131 30.300 0.054 0.000 1.197 24 R HN 0.269 nan 8.270 nan 0.000 0.536 25 F N 0.295 120.204 119.950 -0.069 0.000 2.394 25 F HA 0.318 4.845 4.527 -0.000 0.000 0.269 25 F C 0.242 176.162 175.800 0.200 0.000 1.012 25 F CA 0.261 58.292 58.000 0.052 0.000 1.138 25 F CB 0.394 39.408 39.000 0.024 0.000 1.140 25 F HN -0.214 nan 8.300 nan 0.000 0.623 26 S N 0.126 115.919 115.700 0.155 0.000 2.614 26 S HA 0.225 4.694 4.470 -0.000 0.000 0.275 26 S C -1.833 172.825 174.600 0.097 0.000 1.161 26 S CA -0.783 57.444 58.200 0.045 0.000 0.969 26 S CB 0.801 63.930 63.200 -0.117 0.000 1.059 26 S HN 0.271 nan 8.310 nan 0.000 0.482 27 D N 3.581 124.029 120.400 0.080 0.000 2.435 27 D HA 0.359 4.999 4.640 -0.000 0.000 0.230 27 D C 1.188 177.522 176.300 0.056 0.000 1.215 27 D CA 0.046 54.101 54.000 0.091 0.000 0.947 27 D CB 0.476 41.346 40.800 0.116 0.000 1.048 27 D HN 0.694 nan 8.370 nan 0.000 0.512 28 G N 3.164 112.001 108.800 0.061 0.000 2.880 28 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.209 28 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.209 28 G C 0.609 175.535 174.900 0.043 0.000 1.157 28 G CA -0.260 44.865 45.100 0.042 0.000 0.779 28 G HN 0.459 nan 8.290 nan 0.000 0.539 29 N N -0.309 118.419 118.700 0.047 0.000 2.581 29 N HA 0.259 4.999 4.740 -0.000 0.000 0.279 29 N C -2.132 173.386 175.510 0.013 0.000 1.124 29 N CA -1.825 51.244 53.050 0.031 0.000 0.833 29 N CB 2.706 41.217 38.487 0.040 0.000 1.338 29 N HN -0.159 nan 8.380 nan 0.000 0.533 30 P HA 0.018 nan 4.420 nan 0.000 0.227 30 P C 0.863 178.111 177.300 -0.086 0.000 1.161 30 P CA 0.423 63.504 63.100 -0.032 0.000 0.788 30 P CB 0.425 32.118 31.700 -0.012 0.000 0.822 31 A N 1.791 124.574 122.820 -0.062 0.000 2.070 31 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 31 A C 1.798 179.324 177.584 -0.097 0.000 1.159 31 A CA 1.707 53.698 52.037 -0.076 0.000 0.656 31 A CB -1.392 17.581 19.000 -0.044 0.000 0.800 31 A HN 0.335 nan 8.150 nan 0.000 0.453 32 N N -0.078 118.571 118.700 -0.085 0.000 2.383 32 N HA 0.005 4.745 4.740 -0.000 0.000 0.192 32 N C -0.575 174.834 175.510 -0.168 0.000 1.141 32 N CA -0.185 52.803 53.050 -0.103 0.000 0.851 32 N CB -0.667 37.782 38.487 -0.063 0.000 0.976 32 N HN 0.185 nan 8.380 nan 0.000 0.465 33 N N 2.192 120.756 118.700 -0.226 0.000 2.497 33 N HA 0.230 4.969 4.740 -0.000 0.000 0.268 33 N C -2.295 172.945 175.510 -0.450 0.000 1.171 33 N CA -1.166 51.662 53.050 -0.370 0.000 0.948 33 N CB 0.247 38.345 38.487 -0.648 0.000 1.069 33 N HN 0.184 nan 8.380 nan 0.000 0.460 34 P HA 0.014 nan 4.420 nan 0.000 0.269 34 P C -0.137 176.986 177.300 -0.296 0.000 1.211 34 P CA 0.148 63.057 63.100 -0.318 0.000 0.781 34 P CB 0.487 31.969 31.700 -0.364 0.000 0.877 35 T N -2.005 112.463 114.554 -0.143 0.000 2.888 35 T HA 0.720 5.070 4.350 -0.000 0.000 0.288 35 T C 0.414 175.135 174.700 0.036 0.000 1.063 35 T CA -0.126 61.919 62.100 -0.091 0.000 1.010 35 T CB 1.409 70.207 68.868 -0.118 0.000 1.214 35 T HN 0.743 nan 8.240 nan 0.000 0.533 36 G N 0.642 109.482 108.800 0.066 0.000 2.539 36 G HA2 0.092 4.052 3.960 -0.000 0.000 0.256 36 G HA3 0.092 4.052 3.960 -0.000 0.000 0.256 36 G C 1.005 175.973 174.900 0.114 0.000 1.233 36 G CA 0.320 45.463 45.100 0.072 0.000 0.936 36 G HN 1.830 nan 8.290 nan 0.000 0.571 37 A N -0.303 122.571 122.820 0.091 0.000 2.248 37 A HA 0.493 4.813 4.320 -0.000 0.000 0.210 37 A C 2.546 180.209 177.584 0.132 0.000 1.174 37 A CA 2.290 54.385 52.037 0.097 0.000 0.750 37 A CB -0.617 18.425 19.000 0.071 0.000 0.780 37 A HN 2.253 nan 8.150 nan 0.000 0.478 38 A N -1.767 121.155 122.820 0.170 0.000 2.218 38 A HA 0.476 4.795 4.320 -0.000 0.000 0.209 38 A C 0.302 178.096 177.584 0.350 0.000 1.168 38 A CA 0.121 52.304 52.037 0.243 0.000 0.804 38 A CB -0.150 18.977 19.000 0.213 0.000 0.834 38 A HN 0.480 nan 8.150 nan 0.000 0.482 39 F N -0.271 119.739 119.950 0.101 0.000 2.532 39 F HA 0.595 5.122 4.527 -0.000 0.000 0.321 39 F C -1.511 174.330 175.800 0.068 0.000 1.089 39 F CA -1.611 56.447 58.000 0.097 0.000 0.926 39 F CB 1.901 40.929 39.000 0.047 0.000 1.168 39 F HN -0.025 nan 8.300 nan 0.000 0.459 40 D N 3.220 123.191 120.400 -0.715 0.000 2.358 40 D HA 0.272 4.912 4.640 -0.000 0.000 0.253 40 D C 0.894 176.642 176.300 -0.920 0.000 1.288 40 D CA -0.070 53.588 54.000 -0.569 0.000 0.950 40 D CB 1.204 41.842 40.800 -0.269 0.000 1.197 40 D HN 0.711 nan 8.370 nan 0.000 0.550 41 G N 1.554 109.747 108.800 -1.012 0.000 2.479 41 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.220 41 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.220 41 G C 1.293 176.054 174.900 -0.232 0.000 1.115 41 G CA 1.143 45.918 45.100 -0.541 0.000 0.757 41 G HN 0.516 nan 8.290 nan 0.000 0.560 42 S N -1.686 113.899 115.700 -0.192 0.000 2.527 42 S HA 0.022 4.492 4.470 -0.000 0.000 0.222 42 S C 1.303 175.834 174.600 -0.116 0.000 0.985 42 S CA 0.510 58.644 58.200 -0.109 0.000 0.921 42 S CB -0.540 62.616 63.200 -0.073 0.000 0.772 42 S HN 0.769 nan 8.310 nan 0.000 0.529 43 c N 1.511 120.008 118.600 -0.173 0.000 4.114 43 c HA -0.179 4.391 4.570 -0.000 0.000 0.300 43 c C 1.553 175.578 174.090 -0.109 0.000 1.423 43 c CA 1.068 57.307 56.329 -0.151 0.000 2.034 43 c CB -2.881 39.560 42.510 -0.116 0.000 1.299 43 c HN 0.772 nan 8.230 nan 0.000 0.727 44 T N -0.084 114.410 114.554 -0.099 0.000 3.035 44 T HA 0.011 4.360 4.350 -0.000 0.000 0.259 44 T C 0.717 175.378 174.700 -0.066 0.000 1.078 44 T CA 1.197 63.256 62.100 -0.069 0.000 1.132 44 T CB -0.186 68.648 68.868 -0.056 0.000 0.900 44 T HN 0.713 nan 8.240 nan 0.000 0.480 45 N N 1.824 120.476 118.700 -0.081 0.000 2.501 45 N HA 0.208 4.948 4.740 -0.000 0.000 0.245 45 N C 0.255 175.699 175.510 -0.110 0.000 0.974 45 N CA -0.214 52.797 53.050 -0.064 0.000 0.941 45 N CB 0.647 39.109 38.487 -0.041 0.000 1.122 45 N HN 0.216 nan 8.380 nan 0.000 0.507 46 L N 2.752 123.908 121.223 -0.112 0.000 2.675 46 L HA 0.135 4.475 4.340 -0.000 0.000 0.239 46 L C 1.360 178.050 176.870 -0.300 0.000 1.151 46 L CA 0.354 55.074 54.840 -0.200 0.000 0.905 46 L CB 0.011 41.996 42.059 -0.123 0.000 1.057 46 L HN 0.355 nan 8.230 nan 0.000 0.435 47 R N -1.018 119.392 120.500 -0.149 0.000 2.437 47 R HA 0.328 4.668 4.340 -0.000 0.000 0.257 47 R C 0.069 176.385 176.300 0.026 0.000 0.927 47 R CA -0.100 56.004 56.100 0.007 0.000 1.078 47 R CB 0.627 31.021 30.300 0.157 0.000 1.161 47 R HN 0.194 nan 8.270 nan 0.000 0.529 48 L N -0.661 120.508 121.223 -0.090 0.000 2.347 48 L HA 0.428 4.768 4.340 -0.000 0.000 0.268 48 L C -0.295 176.546 176.870 -0.049 0.000 1.019 48 L CA -1.257 53.587 54.840 0.006 0.000 0.806 48 L CB 0.520 42.591 42.059 0.019 0.000 1.339 48 L HN -0.071 nan 8.230 nan 0.000 0.463 49 Y N -0.940 119.393 120.300 0.054 0.000 2.359 49 Y HA 0.022 4.572 4.550 -0.000 0.000 0.330 49 Y C 0.907 176.770 175.900 -0.062 0.000 1.143 49 Y CA -0.171 57.990 58.100 0.102 0.000 1.318 49 Y CB 0.938 39.544 38.460 0.243 0.000 1.234 49 Y HN 0.516 nan 8.280 nan 0.000 0.522 50 c N 0.780 119.422 118.600 0.070 0.000 2.735 50 c HA 0.317 4.887 4.570 -0.000 0.000 0.271 50 c C 1.721 175.911 174.090 0.167 0.000 1.281 50 c CA 0.484 56.756 56.329 -0.095 0.000 1.719 50 c CB -0.521 41.943 42.510 -0.077 0.000 2.024 50 c HN 1.221 nan 8.230 nan 0.000 0.566 51 G N 0.141 109.186 108.800 0.407 0.000 2.192 51 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.193 51 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.193 51 G C 0.339 175.394 174.900 0.258 0.000 0.999 51 G CA -0.149 45.221 45.100 0.450 0.000 0.659 51 G HN 0.762 nan 8.290 nan 0.000 0.503 52 G N 0.515 109.445 108.800 0.217 0.000 2.491 52 G HA2 0.567 4.527 3.960 -0.000 0.000 0.242 52 G HA3 0.567 4.527 3.960 -0.000 0.000 0.242 52 G C -0.045 174.929 174.900 0.123 0.000 1.266 52 G CA 0.991 46.185 45.100 0.157 0.000 0.844 52 G HN 0.984 nan 8.290 nan 0.000 0.571 53 D N -0.941 119.516 120.400 0.094 0.000 2.759 53 D HA 0.223 4.863 4.640 -0.000 0.000 0.321 53 D C 0.430 176.808 176.300 0.130 0.000 1.267 53 D CA -0.867 53.143 54.000 0.017 0.000 0.933 53 D CB 0.262 41.087 40.800 0.041 0.000 1.431 53 D HN 0.311 nan 8.370 nan 0.000 0.504 54 W N -0.560 120.802 121.300 0.104 0.000 2.402 54 W HA -0.000 4.659 4.660 -0.000 0.000 0.286 54 W C 1.957 178.523 176.519 0.079 0.000 1.221 54 W CA 0.788 58.184 57.345 0.086 0.000 1.257 54 W CB -0.869 28.667 29.460 0.128 0.000 1.120 54 W HN 0.525 nan 8.180 nan 0.000 0.551 55 Q N 0.457 120.430 119.800 0.289 0.000 2.291 55 Q HA -0.042 4.298 4.340 -0.000 0.000 0.205 55 Q C 2.296 178.381 176.000 0.140 0.000 0.970 55 Q CA 1.988 57.899 55.803 0.180 0.000 0.876 55 Q CB -0.785 28.034 28.738 0.136 0.000 0.935 55 Q HN 0.166 nan 8.270 nan 0.000 0.455 56 G N -0.001 108.897 108.800 0.164 0.000 2.394 56 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.215 56 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.215 56 G C 1.376 176.414 174.900 0.230 0.000 1.165 56 G CA 0.739 45.928 45.100 0.148 0.000 0.784 56 G HN 0.413 nan 8.290 nan 0.000 0.535 57 I N 0.580 121.330 120.570 0.300 0.000 2.286 57 I HA -0.056 4.114 4.170 -0.000 0.000 0.245 57 I C 2.575 178.791 176.117 0.164 0.000 1.104 57 I CA 0.580 62.055 61.300 0.292 0.000 1.397 57 I CB -0.189 37.924 38.000 0.189 0.000 1.072 57 I HN 0.105 nan 8.210 nan 0.000 0.417 58 I N 1.159 121.799 120.570 0.116 0.000 2.248 58 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 58 I C 2.104 178.237 176.117 0.027 0.000 1.107 58 I CA 1.377 62.709 61.300 0.054 0.000 1.373 58 I CB -0.580 37.456 38.000 0.060 0.000 1.055 58 I HN 0.329 nan 8.210 nan 0.000 0.418 59 N N 0.793 119.514 118.700 0.037 0.000 2.188 59 N HA -0.118 4.621 4.740 -0.000 0.000 0.184 59 N C 1.655 177.143 175.510 -0.037 0.000 1.018 59 N CA 1.026 54.067 53.050 -0.014 0.000 0.858 59 N CB -0.145 38.317 38.487 -0.042 0.000 0.989 59 N HN 0.239 nan 8.380 nan 0.000 0.426 60 K N 0.551 120.963 120.400 0.020 0.000 2.365 60 K HA 0.177 4.497 4.320 -0.000 0.000 0.197 60 K C 1.908 178.566 176.600 0.097 0.000 1.042 60 K CA 0.113 56.441 56.287 0.068 0.000 0.987 60 K CB 0.044 32.690 32.500 0.244 0.000 0.779 60 K HN 0.297 nan 8.250 nan 0.000 0.484 61 I N 1.203 121.779 120.570 0.009 0.000 2.235 61 I HA -0.218 3.952 4.170 -0.000 0.000 0.241 61 I C 1.847 177.796 176.117 -0.279 0.000 1.085 61 I CA 0.791 62.009 61.300 -0.137 0.000 1.378 61 I CB -0.245 37.650 38.000 -0.175 0.000 1.076 61 I HN 0.112 nan 8.210 nan 0.000 0.415 62 N N 1.293 119.862 118.700 -0.218 0.000 2.104 62 N HA -0.195 4.544 4.740 -0.000 0.000 0.190 62 N C 1.177 176.646 175.510 -0.069 0.000 1.024 62 N CA 1.797 54.751 53.050 -0.161 0.000 0.853 62 N CB -0.448 38.011 38.487 -0.048 0.000 1.008 62 N HN 0.499 nan 8.380 nan 0.000 0.424 63 D N -1.217 119.157 120.400 -0.042 0.000 2.328 63 D HA 0.110 4.750 4.640 -0.000 0.000 0.226 63 D C 1.163 177.476 176.300 0.022 0.000 1.066 63 D CA 0.660 54.653 54.000 -0.012 0.000 0.861 63 D CB -0.297 40.482 40.800 -0.034 0.000 0.912 63 D HN 0.261 nan 8.370 nan 0.000 0.521 64 G N -0.170 108.641 108.800 0.019 0.000 2.195 64 G HA2 -0.441 3.518 3.960 -0.000 0.000 0.246 64 G HA3 -0.441 3.518 3.960 -0.000 0.000 0.246 64 G C 0.716 175.680 174.900 0.108 0.000 0.984 64 G CA 0.322 45.451 45.100 0.047 0.000 0.633 64 G HN 0.370 nan 8.290 nan 0.000 0.525 65 Y N 0.947 121.275 120.300 0.047 0.000 2.128 65 Y HA 0.082 4.632 4.550 -0.000 0.000 0.284 65 Y C 2.599 178.597 175.900 0.164 0.000 1.154 65 Y CA 2.516 60.706 58.100 0.150 0.000 1.149 65 Y CB -0.223 38.320 38.460 0.138 0.000 0.976 65 Y HN 0.319 nan 8.280 nan 0.000 0.505 66 L N -1.082 120.175 121.223 0.057 0.000 2.249 66 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 66 L C 2.413 179.187 176.870 -0.160 0.000 1.090 66 L CA 1.373 56.130 54.840 -0.137 0.000 0.802 66 L CB -0.670 41.360 42.059 -0.049 0.000 0.947 66 L HN 0.298 nan 8.230 nan 0.000 0.453 67 T N -3.748 110.761 114.554 -0.075 0.000 2.985 67 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 67 T C 1.849 176.517 174.700 -0.053 0.000 1.076 67 T CA 0.780 62.848 62.100 -0.053 0.000 1.135 67 T CB -0.406 68.460 68.868 -0.004 0.000 0.890 67 T HN 0.322 nan 8.240 nan 0.000 0.480 68 G N 0.612 109.399 108.800 -0.022 0.000 2.534 68 G HA2 0.061 4.021 3.960 -0.000 0.000 0.217 68 G HA3 0.061 4.021 3.960 -0.000 0.000 0.217 68 G C 1.408 176.262 174.900 -0.077 0.000 1.128 68 G CA 0.108 45.233 45.100 0.042 0.000 0.784 68 G HN 0.476 nan 8.290 nan 0.000 0.542 69 M N 0.008 119.397 119.600 -0.351 0.000 2.541 69 M HA 0.221 4.701 4.480 -0.000 0.000 0.252 69 M C 1.688 177.776 176.300 -0.353 0.000 1.125 69 M CA 0.793 55.693 55.300 -0.666 0.000 1.091 69 M CB 0.489 32.538 32.600 -0.919 0.000 1.420 69 M HN 0.341 nan 8.290 nan 0.000 0.486 70 G N 1.735 110.406 108.800 -0.215 0.000 2.137 70 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.237 70 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.237 70 G C -0.146 174.677 174.900 -0.129 0.000 1.002 70 G CA -0.284 44.729 45.100 -0.146 0.000 0.702 70 G HN 0.367 nan 8.290 nan 0.000 0.515 71 I N 1.391 121.875 120.570 -0.143 0.000 2.529 71 I HA 0.492 4.662 4.170 -0.000 0.000 0.284 71 I C 1.720 177.809 176.117 -0.047 0.000 1.082 71 I CA 1.159 62.408 61.300 -0.083 0.000 1.406 71 I CB 1.664 39.596 38.000 -0.114 0.000 1.405 71 I HN 0.328 nan 8.210 nan 0.000 0.548 72 T N 2.381 116.923 114.554 -0.021 0.000 3.058 72 T HA 0.703 5.053 4.350 -0.000 0.000 0.278 72 T C 0.072 174.770 174.700 -0.002 0.000 0.974 72 T CA 0.136 62.215 62.100 -0.035 0.000 0.893 72 T CB 0.143 68.957 68.868 -0.090 0.000 1.138 72 T HN 0.616 nan 8.240 nan 0.000 0.529 73 A N 1.662 124.532 122.820 0.083 0.000 2.520 73 A HA 0.799 5.119 4.320 -0.000 0.000 0.298 73 A C -0.961 176.778 177.584 0.259 0.000 1.051 73 A CA -1.212 50.935 52.037 0.183 0.000 0.690 73 A CB 1.219 20.397 19.000 0.296 0.000 1.281 73 A HN 0.715 nan 8.150 nan 0.000 0.402 74 I N -1.993 118.742 120.570 0.274 0.000 2.603 74 I HA 0.831 5.001 4.170 -0.000 0.000 0.300 74 I C -1.021 175.330 176.117 0.391 0.000 1.017 74 I CA -0.771 60.707 61.300 0.297 0.000 1.098 74 I CB 1.983 40.092 38.000 0.181 0.000 1.279 74 I HN 0.724 nan 8.210 nan 0.000 0.437 75 W N 8.570 129.974 121.300 0.173 0.000 2.362 75 W HA 0.717 5.376 4.660 -0.001 0.000 0.316 75 W C -1.276 175.301 176.519 0.095 0.000 1.024 75 W CA -1.950 55.497 57.345 0.170 0.000 1.270 75 W CB 0.825 30.424 29.460 0.233 0.000 1.273 75 W HN 0.651 nan 8.180 nan 0.000 0.424 76 I N 2.347 123.102 120.570 0.309 0.000 2.822 76 I HA 0.668 4.838 4.170 -0.000 0.000 0.312 76 I C 0.503 176.645 176.117 0.042 0.000 1.011 76 I CA -0.917 60.435 61.300 0.086 0.000 1.105 76 I CB 1.554 39.623 38.000 0.115 0.000 1.291 76 I HN 0.152 nan 8.210 nan 0.000 0.474 77 S N 1.491 117.088 115.700 -0.171 0.000 2.576 77 S HA -0.011 4.459 4.470 -0.000 0.000 0.272 77 S C -0.035 174.538 174.600 -0.044 0.000 1.352 77 S CA -0.408 57.625 58.200 -0.279 0.000 1.021 77 S CB 0.315 63.213 63.200 -0.505 0.000 0.887 77 S HN 0.723 nan 8.310 nan 0.000 0.542 78 Q N 2.639 122.393 119.800 -0.077 0.000 2.263 78 Q HA 0.024 4.364 4.340 -0.000 0.000 0.289 78 Q C -1.557 174.476 176.000 0.055 0.000 1.061 78 Q CA -1.201 54.584 55.803 -0.030 0.000 0.927 78 Q CB 0.591 29.277 28.738 -0.087 0.000 1.154 78 Q HN 0.338 nan 8.270 nan 0.000 0.378 79 P HA -0.026 nan 4.420 nan 0.000 0.245 79 P C 0.305 177.681 177.300 0.127 0.000 1.206 79 P CA 0.253 63.481 63.100 0.214 0.000 0.781 79 P CB 0.002 31.609 31.700 -0.155 0.000 0.994 80 V N -1.681 118.195 119.914 -0.063 0.000 2.881 80 V HA 0.282 4.402 4.120 -0.000 0.000 0.303 80 V C 0.421 176.472 176.094 -0.071 0.000 1.070 80 V CA -1.047 61.271 62.300 0.031 0.000 1.074 80 V CB 0.407 32.191 31.823 -0.065 0.000 1.012 80 V HN -0.032 nan 8.190 nan 0.000 0.482 81 E N 2.687 122.876 120.200 -0.019 0.000 2.465 81 E HA 0.060 4.410 4.350 -0.000 0.000 0.260 81 E C -0.424 176.046 176.600 -0.217 0.000 0.980 81 E CA 0.107 56.436 56.400 -0.118 0.000 0.927 81 E CB 0.283 29.973 29.700 -0.016 0.000 0.934 81 E HN 0.871 nan 8.360 nan 0.000 0.459 82 N N 2.477 120.976 118.700 -0.336 0.000 2.471 82 N HA 0.345 5.085 4.740 -0.000 0.000 0.288 82 N C -0.582 174.684 175.510 -0.406 0.000 1.220 82 N CA -0.663 52.209 53.050 -0.298 0.000 0.893 82 N CB 0.883 39.198 38.487 -0.288 0.000 1.256 82 N HN 0.454 nan 8.380 nan 0.000 0.534 83 I N -1.455 119.016 120.570 -0.166 0.000 2.892 83 I HA 0.062 4.231 4.170 -0.000 0.000 0.287 83 I C -0.105 175.859 176.117 -0.254 0.000 1.205 83 I CA 0.157 61.382 61.300 -0.126 0.000 1.409 83 I CB 0.343 38.350 38.000 0.011 0.000 1.367 83 I HN 0.587 nan 8.210 nan 0.000 0.597 84 Y N 2.025 122.331 120.300 0.010 0.000 2.462 84 Y HA 0.167 4.717 4.550 -0.000 0.000 0.261 84 Y C 1.407 177.321 175.900 0.023 0.000 1.146 84 Y CA -0.236 57.866 58.100 0.004 0.000 1.283 84 Y CB -0.168 38.264 38.460 -0.046 0.000 1.090 84 Y HN 0.587 nan 8.280 nan 0.000 0.526 85 S N 0.565 116.331 115.700 0.111 0.000 2.568 85 S HA 0.177 4.647 4.470 -0.000 0.000 0.282 85 S C -0.035 174.611 174.600 0.076 0.000 1.338 85 S CA -0.577 57.645 58.200 0.037 0.000 1.045 85 S CB 1.277 64.417 63.200 -0.101 0.000 0.873 85 S HN -0.042 nan 8.310 nan 0.000 0.516 86 V N 3.631 123.575 119.914 0.050 0.000 2.350 86 V HA 0.333 4.453 4.120 -0.000 0.000 0.276 86 V C 0.031 176.123 176.094 -0.003 0.000 1.028 86 V CA -0.381 61.966 62.300 0.078 0.000 0.860 86 V CB 0.330 32.200 31.823 0.079 0.000 0.990 86 V HN 0.705 nan 8.190 nan 0.000 0.453 87 I N 4.696 125.257 120.570 -0.015 0.000 2.359 87 I HA 0.362 4.532 4.170 -0.000 0.000 0.294 87 I C 0.231 176.256 176.117 -0.153 0.000 0.987 87 I CA -0.366 60.815 61.300 -0.199 0.000 1.225 87 I CB 1.437 39.210 38.000 -0.378 0.000 1.366 87 I HN 0.530 nan 8.210 nan 0.000 0.466 88 N N 6.743 125.354 118.700 -0.149 0.000 2.439 88 N HA 0.202 4.942 4.740 -0.000 0.000 0.249 88 N C -1.583 173.872 175.510 -0.092 0.000 1.003 88 N CA -0.244 52.776 53.050 -0.052 0.000 0.942 88 N CB 0.597 39.084 38.487 0.001 0.000 1.115 88 N HN 0.400 nan 8.380 nan 0.000 0.505 89 Y N 1.990 122.362 120.300 0.120 0.000 2.385 89 Y HA 0.100 4.649 4.550 -0.000 0.000 0.341 89 Y C 1.024 176.960 175.900 0.061 0.000 0.965 89 Y CA -0.537 57.619 58.100 0.093 0.000 1.180 89 Y CB 0.983 39.503 38.460 0.099 0.000 1.139 89 Y HN 0.509 nan 8.280 nan 0.000 0.502 90 S N 2.811 118.625 115.700 0.190 0.000 3.477 90 S HA -0.248 4.221 4.470 -0.000 0.000 0.371 90 S C 1.204 175.858 174.600 0.091 0.000 0.965 90 S CA 1.032 59.299 58.200 0.112 0.000 1.239 90 S CB -1.461 61.797 63.200 0.096 0.000 0.918 90 S HN 1.401 nan 8.310 nan 0.000 0.498 91 G N -1.660 107.190 108.800 0.083 0.000 2.475 91 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.209 91 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.209 91 G C 0.178 175.126 174.900 0.080 0.000 1.127 91 G CA 0.054 45.194 45.100 0.067 0.000 0.681 91 G HN 1.919 nan 8.290 nan 0.000 0.517 92 V N 0.053 120.034 119.914 0.113 0.000 2.546 92 V HA 0.748 4.868 4.120 -0.000 0.000 0.284 92 V C 0.079 176.254 176.094 0.136 0.000 1.050 92 V CA -1.357 61.014 62.300 0.119 0.000 0.981 92 V CB 1.463 33.365 31.823 0.131 0.000 0.990 92 V HN 0.298 nan 8.190 nan 0.000 0.474 93 N N 4.017 122.783 118.700 0.111 0.000 2.514 93 N HA 0.379 5.118 4.740 -0.000 0.000 0.277 93 N C -0.548 175.063 175.510 0.169 0.000 1.126 93 N CA -0.014 53.104 53.050 0.114 0.000 0.978 93 N CB 0.492 39.033 38.487 0.088 0.000 1.106 93 N HN 0.866 nan 8.380 nan 0.000 0.461 94 N N -0.101 118.732 118.700 0.222 0.000 2.238 94 N HA 0.460 5.200 4.740 -0.000 0.000 0.302 94 N C -0.668 175.037 175.510 0.325 0.000 1.072 94 N CA -0.444 52.803 53.050 0.329 0.000 0.792 94 N CB 2.132 40.951 38.487 0.553 0.000 1.425 94 N HN 0.521 nan 8.380 nan 0.000 0.478 95 T N -2.721 111.973 114.554 0.233 0.000 2.831 95 T HA 0.566 4.916 4.350 -0.000 0.000 0.287 95 T C 0.223 174.705 174.700 -0.362 0.000 1.070 95 T CA -0.772 61.408 62.100 0.134 0.000 1.010 95 T CB 1.518 70.473 68.868 0.145 0.000 1.264 95 T HN 0.371 nan 8.240 nan 0.000 0.532 96 A N 0.427 122.973 122.820 -0.456 0.000 2.648 96 A HA 0.322 4.642 4.320 -0.000 0.000 0.269 96 A C 1.212 178.019 177.584 -1.295 0.000 1.392 96 A CA -0.417 50.988 52.037 -1.053 0.000 1.019 96 A CB -1.670 17.125 19.000 -0.343 0.000 1.009 96 A HN 0.921 nan 8.150 nan 0.000 0.565 97 Y N -0.100 119.383 120.300 -1.362 0.000 2.256 97 Y HA -0.311 4.239 4.550 -0.000 0.000 0.288 97 Y C 1.773 177.256 175.900 -0.695 0.000 1.155 97 Y CA 1.782 59.115 58.100 -1.278 0.000 1.203 97 Y CB -1.149 36.800 38.460 -0.852 0.000 0.980 97 Y HN 0.656 nan 8.280 nan 0.000 0.530 98 H N -1.389 116.833 119.070 -1.413 0.000 2.555 98 H HA 0.367 4.923 4.556 -0.000 0.000 0.269 98 H C 2.005 176.641 175.328 -1.153 0.000 0.988 98 H CA -0.124 55.129 56.048 -1.326 0.000 1.178 98 H CB -0.489 28.448 29.762 -1.375 0.000 1.373 98 H HN 0.465 nan 8.280 nan 0.000 0.588 99 G N 0.136 108.512 108.800 -0.707 0.000 2.245 99 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.264 99 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.264 99 G C 0.681 175.400 174.900 -0.302 0.000 0.985 99 G CA 0.610 45.449 45.100 -0.434 0.000 0.625 99 G HN 0.511 nan 8.290 nan 0.000 0.536 100 Y N -0.937 119.344 120.300 -0.032 0.000 2.574 100 Y HA 0.211 4.761 4.550 -0.000 0.000 0.294 100 Y C 1.325 177.396 175.900 0.284 0.000 1.142 100 Y CA 0.209 58.344 58.100 0.057 0.000 1.314 100 Y CB -0.011 38.437 38.460 -0.020 0.000 0.991 100 Y HN 0.411 nan 8.280 nan 0.000 0.555 101 W N 1.328 122.739 121.300 0.186 0.000 1.928 101 W HA 0.677 5.337 4.660 -0.000 0.000 0.341 101 W C 0.202 176.689 176.519 -0.054 0.000 0.789 101 W CA -2.082 55.329 57.345 0.111 0.000 1.680 101 W CB -0.765 28.742 29.460 0.080 0.000 1.882 101 W HN -0.176 nan 8.180 nan 0.000 0.315 102 A N 2.329 125.181 122.820 0.054 0.000 2.466 102 A HA 0.430 4.749 4.320 -0.000 0.000 0.238 102 A C 1.340 178.872 177.584 -0.087 0.000 1.074 102 A CA 0.261 52.147 52.037 -0.251 0.000 0.774 102 A CB 0.553 19.015 19.000 -0.896 0.000 1.015 102 A HN 0.682 nan 8.150 nan 0.000 0.498 103 R N -0.361 120.093 120.500 -0.077 0.000 2.646 103 R HA 0.270 4.610 4.340 -0.000 0.000 0.226 103 R C -0.864 175.585 176.300 0.248 0.000 0.928 103 R CA 0.115 56.303 56.100 0.146 0.000 1.010 103 R CB 0.582 30.981 30.300 0.165 0.000 1.516 103 R HN 0.509 nan 8.270 nan 0.000 0.621 104 D N 0.160 120.641 120.400 0.135 0.000 2.602 104 D HA 0.220 4.860 4.640 -0.000 0.000 0.245 104 D C -0.715 175.760 176.300 0.291 0.000 1.325 104 D CA -0.765 53.423 54.000 0.314 0.000 0.952 104 D CB 1.162 42.112 40.800 0.249 0.000 1.317 104 D HN 0.025 nan 8.370 nan 0.000 0.577 105 F N 1.887 122.053 119.950 0.359 0.000 2.804 105 F HA 0.201 4.727 4.527 -0.000 0.000 0.303 105 F C 1.975 178.033 175.800 0.430 0.000 1.154 105 F CA 0.378 58.573 58.000 0.326 0.000 1.401 105 F CB 0.320 39.441 39.000 0.202 0.000 1.106 105 F HN 0.146 nan 8.300 nan 0.000 0.568 106 K N -0.236 120.431 120.400 0.445 0.000 2.387 106 K HA 0.187 4.507 4.320 -0.000 0.000 0.203 106 K C 0.166 176.855 176.600 0.149 0.000 1.030 106 K CA 0.162 56.583 56.287 0.223 0.000 1.099 106 K CB 0.613 33.214 32.500 0.167 0.000 0.863 106 K HN 0.133 nan 8.250 nan 0.000 0.529 107 K N 0.494 121.048 120.400 0.257 0.000 2.480 107 K HA 0.221 4.541 4.320 -0.000 0.000 0.258 107 K C -0.339 176.447 176.600 0.310 0.000 0.990 107 K CA -0.745 55.660 56.287 0.198 0.000 0.857 107 K CB 1.930 34.517 32.500 0.144 0.000 1.384 107 K HN -0.055 nan 8.250 nan 0.000 0.446 108 T N -1.398 113.335 114.554 0.298 0.000 2.874 108 T HA 0.154 4.504 4.350 -0.000 0.000 0.281 108 T C 0.228 175.002 174.700 0.124 0.000 0.994 108 T CA -0.769 61.542 62.100 0.352 0.000 1.015 108 T CB 0.712 69.881 68.868 0.502 0.000 1.028 108 T HN 0.466 nan 8.240 nan 0.000 0.523 109 N N 2.661 121.355 118.700 -0.010 0.000 2.401 109 N HA 0.187 4.927 4.740 -0.000 0.000 0.255 109 N C -1.355 173.987 175.510 -0.280 0.000 1.110 109 N CA -2.469 50.417 53.050 -0.272 0.000 0.949 109 N CB 1.089 39.207 38.487 -0.614 0.000 1.110 109 N HN 0.395 nan 8.380 nan 0.000 0.490 110 P HA -0.094 nan 4.420 nan 0.000 0.222 110 P C 0.800 177.987 177.300 -0.188 0.000 1.147 110 P CA 0.691 63.728 63.100 -0.105 0.000 0.790 110 P CB 0.222 31.911 31.700 -0.018 0.000 0.780 111 A N -0.852 121.784 122.820 -0.307 0.000 2.019 111 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 111 A C 1.907 179.403 177.584 -0.147 0.000 1.164 111 A CA 1.189 53.050 52.037 -0.294 0.000 0.644 111 A CB -1.387 17.328 19.000 -0.475 0.000 0.805 111 A HN 0.095 nan 8.150 nan 0.000 0.449 112 Y N -1.074 118.935 120.300 -0.485 0.000 2.436 112 Y HA 0.397 4.947 4.550 -0.000 0.000 0.288 112 Y C 1.530 176.880 175.900 -0.916 0.000 1.112 112 Y CA 0.039 57.585 58.100 -0.922 0.000 1.220 112 Y CB -0.517 37.053 38.460 -1.484 0.000 1.073 112 Y HN 0.429 nan 8.280 nan 0.000 0.552 113 G N -0.815 107.730 108.800 -0.425 0.000 2.369 113 G HA2 0.264 4.224 3.960 -0.000 0.000 0.293 113 G HA3 0.264 4.224 3.960 -0.000 0.000 0.293 113 G C -0.618 174.438 174.900 0.260 0.000 1.301 113 G CA -0.513 44.621 45.100 0.057 0.000 0.913 113 G HN 0.175 nan 8.290 nan 0.000 0.540 114 T N -2.368 112.392 114.554 0.343 0.000 2.849 114 T HA 0.501 4.851 4.350 -0.000 0.000 0.276 114 T C 1.619 176.574 174.700 0.425 0.000 0.971 114 T CA 0.468 62.748 62.100 0.300 0.000 0.949 114 T CB 1.292 70.273 68.868 0.189 0.000 1.093 114 T HN 0.655 nan 8.240 nan 0.000 0.545 115 M N 0.359 120.142 119.600 0.304 0.000 2.213 115 M HA -0.013 4.466 4.480 -0.000 0.000 0.263 115 M C 2.311 178.767 176.300 0.260 0.000 1.062 115 M CA 1.586 57.055 55.300 0.281 0.000 1.105 115 M CB -1.178 31.512 32.600 0.149 0.000 1.385 115 M HN 0.841 nan 8.290 nan 0.000 0.417 116 Q N 0.236 120.158 119.800 0.202 0.000 2.119 116 Q HA -0.161 4.178 4.340 -0.000 0.000 0.201 116 Q C 1.440 177.547 176.000 0.177 0.000 0.972 116 Q CA 2.028 57.924 55.803 0.155 0.000 0.847 116 Q CB -0.404 28.406 28.738 0.120 0.000 0.903 116 Q HN 0.505 nan 8.270 nan 0.000 0.433 117 D N -0.711 119.848 120.400 0.266 0.000 2.144 117 D HA -0.137 4.502 4.640 -0.000 0.000 0.200 117 D C 1.538 177.988 176.300 0.250 0.000 0.978 117 D CA 0.830 55.018 54.000 0.314 0.000 0.833 117 D CB -0.317 40.783 40.800 0.500 0.000 0.961 117 D HN 0.312 nan 8.370 nan 0.000 0.470 118 F N 1.768 121.760 119.950 0.070 0.000 2.102 118 F HA -0.161 4.365 4.527 -0.000 0.000 0.298 118 F C 2.202 177.905 175.800 -0.162 0.000 1.105 118 F CA 1.375 59.173 58.000 -0.338 0.000 1.239 118 F CB 0.176 39.012 39.000 -0.273 0.000 0.991 118 F HN -0.203 nan 8.300 nan 0.000 0.474 119 K N 0.112 120.531 120.400 0.030 0.000 2.097 119 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 119 K C 1.661 178.190 176.600 -0.118 0.000 1.049 119 K CA 1.510 57.765 56.287 -0.053 0.000 0.933 119 K CB -0.292 32.234 32.500 0.044 0.000 0.717 119 K HN 0.232 nan 8.250 nan 0.000 0.442 120 N N 0.993 119.658 118.700 -0.058 0.000 2.223 120 N HA -0.152 4.587 4.740 -0.000 0.000 0.185 120 N C 1.668 177.105 175.510 -0.121 0.000 1.016 120 N CA 0.801 53.822 53.050 -0.049 0.000 0.863 120 N CB -0.146 38.352 38.487 0.017 0.000 0.983 120 N HN 0.103 nan 8.380 nan 0.000 0.429 121 L N 0.674 121.757 121.223 -0.233 0.000 2.109 121 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 121 L C 1.794 178.437 176.870 -0.378 0.000 1.086 121 L CA 1.142 55.803 54.840 -0.298 0.000 0.760 121 L CB -0.294 41.485 42.059 -0.467 0.000 0.910 121 L HN -0.031 nan 8.230 nan 0.000 0.437 122 I N 0.033 120.286 120.570 -0.529 0.000 2.179 122 I HA -0.237 3.932 4.170 -0.000 0.000 0.242 122 I C 2.046 177.855 176.117 -0.513 0.000 1.088 122 I CA 1.274 62.226 61.300 -0.581 0.000 1.357 122 I CB -1.431 36.249 38.000 -0.534 0.000 1.051 122 I HN 0.308 nan 8.210 nan 0.000 0.409 123 D N 0.439 120.670 120.400 -0.282 0.000 2.144 123 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 123 D C 2.202 178.467 176.300 -0.059 0.000 0.978 123 D CA 1.318 55.235 54.000 -0.139 0.000 0.833 123 D CB -0.222 40.541 40.800 -0.063 0.000 0.961 123 D HN 0.254 nan 8.370 nan 0.000 0.470 124 T N 0.554 115.081 114.554 -0.045 0.000 2.777 124 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 124 T C 2.008 176.786 174.700 0.131 0.000 1.040 124 T CA 1.288 63.429 62.100 0.070 0.000 1.141 124 T CB -0.211 68.685 68.868 0.048 0.000 0.868 124 T HN 0.168 nan 8.240 nan 0.000 0.444 125 A N 1.792 124.614 122.820 0.003 0.000 1.845 125 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 125 A C 2.095 179.759 177.584 0.135 0.000 1.195 125 A CA 1.685 53.745 52.037 0.038 0.000 0.616 125 A CB -1.007 17.959 19.000 -0.056 0.000 0.832 125 A HN 0.481 nan 8.150 nan 0.000 0.443 126 H N -0.121 118.952 119.070 0.006 0.000 2.387 126 H HA -0.013 4.542 4.556 -0.000 0.000 0.299 126 H C 2.347 177.662 175.328 -0.022 0.000 1.099 126 H CA 1.076 57.117 56.048 -0.012 0.000 1.315 126 H CB -0.795 28.953 29.762 -0.024 0.000 1.380 126 H HN 0.504 nan 8.280 nan 0.000 0.513 127 A N 0.362 123.239 122.820 0.095 0.000 2.172 127 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 127 A C 1.313 178.764 177.584 -0.221 0.000 1.154 127 A CA 1.079 53.081 52.037 -0.058 0.000 0.701 127 A CB -0.348 18.594 19.000 -0.097 0.000 0.789 127 A HN 0.468 nan 8.150 nan 0.000 0.465 128 H N -0.627 118.456 119.070 0.021 0.000 2.528 128 H HA 0.112 4.668 4.556 -0.000 0.000 0.282 128 H C -0.095 175.231 175.328 -0.003 0.000 1.097 128 H CA -0.001 56.051 56.048 0.006 0.000 1.121 128 H CB 0.232 29.999 29.762 0.008 0.000 1.590 128 H HN 0.459 nan 8.280 nan 0.000 0.553 129 N N 0.803 119.537 118.700 0.057 0.000 2.754 129 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 129 N C -0.397 175.122 175.510 0.014 0.000 1.093 129 N CA 0.638 53.693 53.050 0.008 0.000 0.699 129 N CB -1.579 36.892 38.487 -0.027 0.000 1.016 129 N HN 0.450 nan 8.380 nan 0.000 0.552 130 I N 0.578 121.192 120.570 0.074 0.000 2.404 130 I HA 0.224 4.394 4.170 -0.000 0.000 0.293 130 I C 0.649 176.845 176.117 0.131 0.000 0.992 130 I CA -0.623 60.719 61.300 0.069 0.000 1.149 130 I CB 1.692 39.736 38.000 0.074 0.000 1.315 130 I HN -0.204 nan 8.210 nan 0.000 0.446 131 K N 4.209 124.661 120.400 0.087 0.000 2.118 131 K HA 0.629 4.948 4.320 -0.000 0.000 0.264 131 K C -1.048 175.691 176.600 0.232 0.000 1.000 131 K CA -0.620 55.758 56.287 0.151 0.000 0.929 131 K CB 1.947 34.433 32.500 -0.023 0.000 1.021 131 K HN 0.267 nan 8.250 nan 0.000 0.463 132 V N 3.973 124.048 119.914 0.268 0.000 2.483 132 V HA 0.381 4.501 4.120 -0.000 0.000 0.297 132 V C -0.429 175.835 176.094 0.284 0.000 1.027 132 V CA -0.752 61.673 62.300 0.208 0.000 0.855 132 V CB 1.329 33.172 31.823 0.033 0.000 0.995 132 V HN 0.602 nan 8.190 nan 0.000 0.424 133 I N 6.029 126.783 120.570 0.307 0.000 2.460 133 I HA 0.602 4.772 4.170 -0.000 0.000 0.298 133 I C -0.300 175.962 176.117 0.241 0.000 0.989 133 I CA -0.643 60.811 61.300 0.257 0.000 1.173 133 I CB 1.819 39.972 38.000 0.255 0.000 1.338 133 I HN 0.597 nan 8.210 nan 0.000 0.456 134 I N 0.501 121.169 120.570 0.164 0.000 2.689 134 I HA 0.565 4.735 4.170 -0.000 0.000 0.299 134 I C -0.915 175.278 176.117 0.126 0.000 1.059 134 I CA -0.991 60.413 61.300 0.173 0.000 1.055 134 I CB 1.783 39.837 38.000 0.089 0.000 1.243 134 I HN 0.281 nan 8.210 nan 0.000 0.425 135 D N 3.469 123.981 120.400 0.187 0.000 2.423 135 D HA 0.283 4.923 4.640 -0.000 0.000 0.238 135 D C -1.276 175.147 176.300 0.205 0.000 1.142 135 D CA 0.947 55.053 54.000 0.177 0.000 0.884 135 D CB 0.883 41.791 40.800 0.180 0.000 1.199 135 D HN 0.496 nan 8.370 nan 0.000 0.438 136 F N 0.351 120.325 119.950 0.040 0.000 2.573 136 F HA 0.475 5.002 4.527 -0.000 0.000 0.316 136 F C -0.845 175.031 175.800 0.127 0.000 1.148 136 F CA -0.714 57.339 58.000 0.088 0.000 0.940 136 F CB 1.504 40.572 39.000 0.113 0.000 1.214 136 F HN 0.306 nan 8.300 nan 0.000 0.448 137 A N 7.331 130.065 122.820 -0.144 0.000 3.165 137 A HA 0.414 4.733 4.320 -0.000 0.000 0.331 137 A C -2.257 175.226 177.584 -0.168 0.000 1.034 137 A CA -1.132 50.857 52.037 -0.081 0.000 0.906 137 A CB -0.413 18.579 19.000 -0.013 0.000 1.054 137 A HN 0.495 nan 8.150 nan 0.000 0.484 138 P HA -0.086 nan 4.420 nan 0.000 0.242 138 P C 0.637 177.889 177.300 -0.081 0.000 1.197 138 P CA 0.697 63.665 63.100 -0.219 0.000 0.765 138 P CB 0.100 31.711 31.700 -0.149 0.000 0.936 139 N N 0.690 119.341 118.700 -0.082 0.000 2.416 139 N HA -0.089 4.651 4.740 -0.000 0.000 0.177 139 N C 0.694 176.237 175.510 0.054 0.000 1.036 139 N CA 0.286 53.365 53.050 0.049 0.000 0.901 139 N CB -0.037 38.517 38.487 0.112 0.000 0.976 139 N HN 0.298 nan 8.380 nan 0.000 0.444 140 H N -4.454 114.692 119.070 0.126 0.000 2.981 140 H HA 0.252 4.807 4.556 -0.000 0.000 0.327 140 H C -0.119 175.357 175.328 0.248 0.000 1.342 140 H CA -0.162 55.969 56.048 0.139 0.000 1.123 140 H CB 0.836 30.652 29.762 0.091 0.000 1.851 140 H HN 0.029 nan 8.280 nan 0.000 0.531 141 T N -0.609 114.186 114.554 0.403 0.000 3.523 141 T HA 0.317 4.667 4.350 -0.000 0.000 0.216 141 T C 0.707 175.618 174.700 0.351 0.000 0.922 141 T CA 0.938 63.254 62.100 0.360 0.000 1.558 141 T CB -0.526 68.561 68.868 0.364 0.000 1.424 141 T HN 0.866 nan 8.240 nan 0.000 0.452 142 S N 0.447 116.221 115.700 0.122 0.000 2.672 142 S HA 0.635 5.104 4.470 -0.000 0.000 0.271 142 S C -3.374 171.032 174.600 -0.323 0.000 1.171 142 S CA -1.529 56.600 58.200 -0.118 0.000 0.817 142 S CB 0.934 64.093 63.200 -0.069 0.000 1.150 142 S HN 0.250 nan 8.310 nan 0.000 0.478 143 P HA 0.461 nan 4.420 nan 0.000 0.264 143 P C -0.962 176.243 177.300 -0.159 0.000 1.183 143 P CA 0.394 63.316 63.100 -0.296 0.000 0.763 143 P CB 0.386 31.885 31.700 -0.335 0.000 0.807 144 A N 2.032 124.826 122.820 -0.044 0.000 2.604 144 A HA 0.641 4.961 4.320 -0.000 0.000 0.295 144 A C -1.072 176.493 177.584 -0.031 0.000 1.067 144 A CA -0.438 51.562 52.037 -0.061 0.000 0.683 144 A CB 1.410 20.142 19.000 -0.447 0.000 1.281 144 A HN 0.323 nan 8.150 nan 0.000 0.407 145 S N 0.380 116.155 115.700 0.125 0.000 2.756 145 S HA 0.470 4.940 4.470 -0.000 0.000 0.303 145 S C 1.137 175.853 174.600 0.193 0.000 1.135 145 S CA 0.210 58.457 58.200 0.078 0.000 1.066 145 S CB 0.888 64.065 63.200 -0.037 0.000 1.008 145 S HN 1.784 nan 8.310 nan 0.000 0.482 146 S N 3.380 119.274 115.700 0.324 0.000 2.382 146 S HA -0.126 4.344 4.470 -0.000 0.000 0.228 146 S C 1.149 175.773 174.600 0.040 0.000 1.027 146 S CA 1.250 59.541 58.200 0.152 0.000 0.991 146 S CB -0.470 62.717 63.200 -0.022 0.000 0.823 146 S HN 0.732 nan 8.310 nan 0.000 0.469 147 D N 1.905 122.321 120.400 0.027 0.000 2.218 147 D HA 0.014 4.654 4.640 -0.000 0.000 0.204 147 D C 0.122 176.421 176.300 -0.002 0.000 0.976 147 D CA 1.192 55.189 54.000 -0.006 0.000 0.853 147 D CB -0.236 40.553 40.800 -0.018 0.000 0.939 147 D HN 0.521 nan 8.370 nan 0.000 0.481 148 D N -1.136 119.276 120.400 0.019 0.000 2.408 148 D HA 0.174 4.814 4.640 -0.000 0.000 0.261 148 D C -2.212 174.133 176.300 0.075 0.000 1.190 148 D CA -2.089 51.931 54.000 0.034 0.000 0.910 148 D CB 1.607 42.418 40.800 0.018 0.000 1.097 148 D HN -0.171 nan 8.370 nan 0.000 0.522 149 P HA -0.032 nan 4.420 nan 0.000 0.234 149 P C 0.890 178.220 177.300 0.050 0.000 1.167 149 P CA 0.586 63.714 63.100 0.047 0.000 0.763 149 P CB 0.236 31.946 31.700 0.017 0.000 0.835 150 S N -2.100 113.638 115.700 0.063 0.000 2.524 150 S HA 0.058 4.527 4.470 -0.000 0.000 0.216 150 S C 0.457 175.097 174.600 0.067 0.000 0.987 150 S CA -0.542 57.687 58.200 0.048 0.000 0.909 150 S CB -1.157 62.066 63.200 0.038 0.000 0.781 150 S HN 0.067 nan 8.310 nan 0.000 0.521 151 F N 3.707 123.627 119.950 -0.049 0.000 2.538 151 F HA 0.440 4.966 4.527 -0.000 0.000 0.371 151 F C 1.090 176.837 175.800 -0.087 0.000 1.087 151 F CA 0.151 58.106 58.000 -0.075 0.000 1.250 151 F CB -0.005 38.945 39.000 -0.083 0.000 1.110 151 F HN 0.509 nan 8.300 nan 0.000 0.570 152 A N 4.623 126.908 122.820 -0.891 0.000 5.483 152 A HA -0.361 3.959 4.320 -0.000 0.000 0.309 152 A C 0.903 178.291 177.584 -0.326 0.000 1.898 152 A CA 1.519 53.110 52.037 -0.744 0.000 0.716 152 A CB -1.367 16.977 19.000 -1.092 0.000 1.309 152 A HN 0.844 nan 8.150 nan 0.000 0.380 153 E N 1.054 121.120 120.200 -0.223 0.000 2.685 153 E HA 0.238 4.587 4.350 -0.000 0.000 0.208 153 E C 0.317 176.889 176.600 -0.047 0.000 0.996 153 E CA 0.361 56.721 56.400 -0.067 0.000 1.054 153 E CB -0.037 29.679 29.700 0.027 0.000 1.075 153 E HN 0.672 nan 8.360 nan 0.000 0.460 154 N N 0.811 119.459 118.700 -0.087 0.000 2.721 154 N HA -0.247 4.493 4.740 -0.000 0.000 0.249 154 N C 0.715 176.170 175.510 -0.092 0.000 1.072 154 N CA 0.445 53.469 53.050 -0.043 0.000 0.710 154 N CB -0.898 37.589 38.487 -0.000 0.000 0.993 154 N HN 0.577 nan 8.380 nan 0.000 0.547 155 G N 0.055 108.774 108.800 -0.135 0.000 2.187 155 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.261 155 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.261 155 G C 0.250 175.155 174.900 0.008 0.000 1.000 155 G CA 0.797 45.808 45.100 -0.149 0.000 0.718 155 G HN 0.671 nan 8.290 nan 0.000 0.519 156 R N -0.834 119.700 120.500 0.056 0.000 2.583 156 R HA 0.290 4.630 4.340 -0.000 0.000 0.274 156 R C 0.173 176.585 176.300 0.187 0.000 0.998 156 R CA -0.103 56.055 56.100 0.096 0.000 1.081 156 R CB 0.447 30.769 30.300 0.037 0.000 0.940 156 R HN 0.276 nan 8.270 nan 0.000 0.413 157 L N 4.402 125.692 121.223 0.112 0.000 2.322 157 L HA 0.395 4.735 4.340 -0.000 0.000 0.281 157 L C -1.417 175.404 176.870 -0.081 0.000 1.014 157 L CA -0.372 54.543 54.840 0.126 0.000 0.815 157 L CB 0.978 43.077 42.059 0.066 0.000 1.247 157 L HN 0.432 nan 8.230 nan 0.000 0.421 158 Y N 1.966 122.318 120.300 0.086 0.000 2.562 158 Y HA 0.519 5.069 4.550 -0.000 0.000 0.343 158 Y C -0.664 175.309 175.900 0.121 0.000 1.025 158 Y CA -0.851 57.293 58.100 0.073 0.000 1.082 158 Y CB 1.918 40.444 38.460 0.109 0.000 1.264 158 Y HN 0.560 nan 8.280 nan 0.000 0.478 159 D N 1.504 122.075 120.400 0.286 0.000 2.440 159 D HA 0.146 4.786 4.640 -0.000 0.000 0.252 159 D C -0.616 175.863 176.300 0.299 0.000 1.180 159 D CA -0.537 53.686 54.000 0.372 0.000 0.894 159 D CB 0.147 41.084 40.800 0.227 0.000 1.111 159 D HN 0.615 nan 8.370 nan 0.000 0.544 160 N N 3.397 122.272 118.700 0.293 0.000 2.716 160 N HA -0.242 4.497 4.740 -0.000 0.000 0.250 160 N C 0.990 176.592 175.510 0.154 0.000 1.033 160 N CA 2.000 55.162 53.050 0.187 0.000 0.727 160 N CB -0.966 37.609 38.487 0.146 0.000 0.950 160 N HN 0.855 nan 8.380 nan 0.000 0.541 161 G N -1.691 107.217 108.800 0.180 0.000 2.254 161 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.225 161 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.225 161 G C -0.066 174.983 174.900 0.248 0.000 1.003 161 G CA 0.113 45.303 45.100 0.151 0.000 0.622 161 G HN 0.701 nan 8.290 nan 0.000 0.507 162 N N 0.753 119.599 118.700 0.243 0.000 2.426 162 N HA 0.534 5.274 4.740 -0.000 0.000 0.275 162 N C 0.078 175.673 175.510 0.142 0.000 1.019 162 N CA -0.584 52.580 53.050 0.189 0.000 0.941 162 N CB 0.895 39.446 38.487 0.107 0.000 1.123 162 N HN 0.261 nan 8.380 nan 0.000 0.486 163 L N 5.257 126.492 121.223 0.020 0.000 2.418 163 L HA 0.125 4.464 4.340 -0.000 0.000 0.274 163 L C 0.819 177.558 176.870 -0.218 0.000 1.135 163 L CA -0.035 54.601 54.840 -0.340 0.000 0.870 163 L CB 0.485 42.328 42.059 -0.360 0.000 1.154 163 L HN 0.685 nan 8.230 nan 0.000 0.462 164 L N 4.912 125.985 121.223 -0.251 0.000 2.221 164 L HA 0.320 4.660 4.340 -0.000 0.000 0.202 164 L C 0.963 177.749 176.870 -0.139 0.000 1.074 164 L CA 0.532 55.263 54.840 -0.182 0.000 0.795 164 L CB -0.185 41.727 42.059 -0.244 0.000 0.960 164 L HN 0.762 nan 8.230 nan 0.000 0.458 165 G N -1.299 107.426 108.800 -0.125 0.000 2.356 165 G HA2 0.479 4.438 3.960 -0.000 0.000 0.294 165 G HA3 0.479 4.438 3.960 -0.000 0.000 0.294 165 G C -1.610 173.339 174.900 0.082 0.000 1.423 165 G CA -0.043 45.053 45.100 -0.008 0.000 0.806 165 G HN 0.123 nan 8.290 nan 0.000 0.527 166 G N -1.971 106.888 108.800 0.099 0.000 2.714 166 G HA2 0.506 4.465 3.960 -0.000 0.000 0.292 166 G HA3 0.506 4.465 3.960 -0.000 0.000 0.292 166 G C -0.035 174.825 174.900 -0.067 0.000 1.308 166 G CA -0.339 44.773 45.100 0.020 0.000 0.964 166 G HN 0.648 nan 8.290 nan 0.000 0.484 167 Y N 0.201 120.260 120.300 -0.401 0.000 2.337 167 Y HA 0.170 4.720 4.550 -0.000 0.000 0.293 167 Y C 1.811 177.631 175.900 -0.132 0.000 1.123 167 Y CA 1.109 58.927 58.100 -0.470 0.000 1.201 167 Y CB 0.157 38.307 38.460 -0.515 0.000 1.011 167 Y HN 0.339 nan 8.280 nan 0.000 0.545 168 T N 1.746 116.263 114.554 -0.062 0.000 2.869 168 T HA 0.094 4.444 4.350 -0.000 0.000 0.295 168 T C 0.000 174.628 174.700 -0.121 0.000 0.987 168 T CA 0.089 62.129 62.100 -0.100 0.000 1.109 168 T CB 0.369 69.217 68.868 -0.033 0.000 0.932 168 T HN 0.418 nan 8.240 nan 0.000 0.518 169 N N 1.663 120.264 118.700 -0.165 0.000 2.758 169 N HA -0.161 4.579 4.740 -0.000 0.000 0.248 169 N C -0.992 174.448 175.510 -0.118 0.000 1.076 169 N CA 0.309 53.277 53.050 -0.136 0.000 0.696 169 N CB -0.646 37.790 38.487 -0.086 0.000 0.979 169 N HN 0.632 nan 8.380 nan 0.000 0.550 170 D N -0.557 119.743 120.400 -0.165 0.000 2.558 170 D HA 0.178 4.818 4.640 -0.000 0.000 0.221 170 D C 1.421 177.658 176.300 -0.106 0.000 1.143 170 D CA 0.444 54.401 54.000 -0.073 0.000 1.010 170 D CB 0.076 40.892 40.800 0.026 0.000 1.068 170 D HN 0.386 nan 8.370 nan 0.000 0.511 171 T N -0.160 114.345 114.554 -0.082 0.000 2.985 171 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 171 T C 1.520 176.183 174.700 -0.062 0.000 1.076 171 T CA 0.697 62.748 62.100 -0.082 0.000 1.135 171 T CB -0.120 68.707 68.868 -0.068 0.000 0.890 171 T HN 0.316 nan 8.240 nan 0.000 0.480 172 Q N 0.937 120.708 119.800 -0.048 0.000 2.482 172 Q HA 0.147 4.487 4.340 -0.000 0.000 0.209 172 Q C 0.054 176.022 176.000 -0.054 0.000 0.961 172 Q CA -0.308 55.465 55.803 -0.050 0.000 0.945 172 Q CB -0.113 28.590 28.738 -0.057 0.000 1.012 172 Q HN 0.442 nan 8.270 nan 0.000 0.515 173 N N 0.742 119.419 118.700 -0.038 0.000 2.688 173 N HA -0.202 4.537 4.740 -0.000 0.000 0.258 173 N C 0.077 175.534 175.510 -0.089 0.000 1.016 173 N CA 0.337 53.373 53.050 -0.024 0.000 0.747 173 N CB -0.728 37.736 38.487 -0.038 0.000 0.895 173 N HN 0.383 nan 8.380 nan 0.000 0.543 174 L N -1.384 119.769 121.223 -0.117 0.000 2.418 174 L HA 0.116 4.456 4.340 -0.000 0.000 0.218 174 L C 0.491 176.964 176.870 -0.663 0.000 1.125 174 L CA 0.887 55.474 54.840 -0.421 0.000 0.835 174 L CB -0.041 41.653 42.059 -0.609 0.000 0.953 174 L HN 0.099 nan 8.230 nan 0.000 0.454 175 F N -2.545 117.300 119.950 -0.175 0.000 2.611 175 F HA 0.390 4.917 4.527 -0.000 0.000 0.324 175 F C 0.248 175.817 175.800 -0.385 0.000 1.061 175 F CA -1.047 56.793 58.000 -0.267 0.000 0.954 175 F CB 0.869 39.820 39.000 -0.082 0.000 1.301 175 F HN -0.224 nan 8.300 nan 0.000 0.482 176 H N -0.790 118.256 119.070 -0.039 0.000 2.582 176 H HA 0.322 4.877 4.556 -0.000 0.000 0.345 176 H C -0.982 174.033 175.328 -0.521 0.000 1.104 176 H CA -0.168 55.779 56.048 -0.169 0.000 1.390 176 H CB 0.573 30.402 29.762 0.111 0.000 1.461 176 H HN 0.516 nan 8.280 nan 0.000 0.551 177 H N 3.102 121.960 119.070 -0.352 0.000 2.386 177 H HA 0.132 4.687 4.556 -0.000 0.000 0.232 177 H C -0.806 174.258 175.328 -0.440 0.000 1.416 177 H CA -0.073 55.769 56.048 -0.344 0.000 1.285 177 H CB 0.034 29.552 29.762 -0.407 0.000 1.625 177 H HN 0.669 nan 8.280 nan 0.000 0.521 178 Y N -0.073 120.265 120.300 0.063 0.000 2.641 178 Y HA 0.374 4.924 4.550 -0.000 0.000 0.248 178 Y C 1.488 177.377 175.900 -0.018 0.000 1.170 178 Y CA 0.163 58.261 58.100 -0.002 0.000 1.201 178 Y CB 0.791 39.221 38.460 -0.050 0.000 1.232 178 Y HN 0.661 nan 8.280 nan 0.000 0.537 179 G N 0.124 108.985 108.800 0.103 0.000 2.545 179 G HA2 0.094 4.054 3.960 -0.000 0.000 0.216 179 G HA3 0.094 4.054 3.960 -0.000 0.000 0.216 179 G C -0.011 174.892 174.900 0.004 0.000 1.314 179 G CA -0.583 44.544 45.100 0.045 0.000 0.906 179 G HN 0.647 nan 8.290 nan 0.000 0.563 180 G N -1.247 107.519 108.800 -0.057 0.000 2.481 180 G HA2 0.721 4.681 3.960 -0.000 0.000 0.315 180 G HA3 0.721 4.681 3.960 -0.000 0.000 0.315 180 G C -0.070 174.708 174.900 -0.203 0.000 1.231 180 G CA 0.939 45.956 45.100 -0.138 0.000 0.968 180 G HN 1.317 nan 8.290 nan 0.000 0.482 181 T N -0.545 113.794 114.554 -0.357 0.000 2.918 181 T HA 0.244 4.594 4.350 -0.000 0.000 0.302 181 T C 0.869 175.277 174.700 -0.486 0.000 1.045 181 T CA 0.168 61.980 62.100 -0.481 0.000 1.114 181 T CB 0.761 69.173 68.868 -0.761 0.000 0.965 181 T HN 0.597 nan 8.240 nan 0.000 0.540 182 D N 2.731 122.938 120.400 -0.322 0.000 2.363 182 D HA 0.048 4.688 4.640 -0.000 0.000 0.214 182 D C 0.664 176.963 176.300 -0.002 0.000 1.093 182 D CA -0.361 53.561 54.000 -0.131 0.000 0.837 182 D CB -0.700 40.069 40.800 -0.052 0.000 0.948 182 D HN 0.660 nan 8.370 nan 0.000 0.507 183 F N 0.400 120.310 119.950 -0.066 0.000 3.048 183 F HA -0.325 4.202 4.527 -0.000 0.000 0.287 183 F C 1.810 177.592 175.800 -0.029 0.000 0.796 183 F CA 0.765 58.739 58.000 -0.044 0.000 1.111 183 F CB -2.374 36.604 39.000 -0.037 0.000 1.320 183 F HN 0.155 nan 8.300 nan 0.000 0.430 184 S N -1.733 114.007 115.700 0.066 0.000 2.428 184 S HA 0.059 4.529 4.470 -0.000 0.000 0.230 184 S C 0.920 175.543 174.600 0.039 0.000 1.014 184 S CA 1.032 59.263 58.200 0.052 0.000 0.957 184 S CB -0.091 63.117 63.200 0.013 0.000 0.784 184 S HN 0.569 nan 8.310 nan 0.000 0.499 185 T N -2.133 112.427 114.554 0.009 0.000 2.883 185 T HA 0.634 4.984 4.350 -0.000 0.000 0.296 185 T C 0.868 175.561 174.700 -0.011 0.000 1.117 185 T CA -0.906 61.195 62.100 0.002 0.000 1.006 185 T CB 0.948 69.790 68.868 -0.045 0.000 1.191 185 T HN -0.012 nan 8.240 nan 0.000 0.508 186 I N 0.444 121.025 120.570 0.019 0.000 2.286 186 I HA -0.117 4.053 4.170 -0.000 0.000 0.248 186 I C 2.748 178.761 176.117 -0.173 0.000 1.115 186 I CA 1.587 62.888 61.300 0.002 0.000 1.392 186 I CB -0.318 37.797 38.000 0.190 0.000 1.065 186 I HN 0.908 nan 8.210 nan 0.000 0.418 187 E N 1.581 121.577 120.200 -0.340 0.000 2.058 187 E HA -0.318 4.032 4.350 -0.000 0.000 0.194 187 E C 1.910 178.350 176.600 -0.266 0.000 0.997 187 E CA 2.079 58.125 56.400 -0.591 0.000 0.801 187 E CB -0.140 29.106 29.700 -0.755 0.000 0.746 187 E HN 0.436 nan 8.360 nan 0.000 0.450 188 N N -0.690 117.888 118.700 -0.202 0.000 2.061 188 N HA -0.151 4.589 4.740 -0.000 0.000 0.193 188 N C 1.857 177.249 175.510 -0.197 0.000 1.030 188 N CA 1.772 54.721 53.050 -0.168 0.000 0.856 188 N CB -0.396 38.005 38.487 -0.144 0.000 1.023 188 N HN 0.220 nan 8.380 nan 0.000 0.424 189 G N -0.313 108.383 108.800 -0.173 0.000 2.509 189 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 189 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 189 G C 1.396 176.263 174.900 -0.055 0.000 1.124 189 G CA 0.496 45.529 45.100 -0.112 0.000 0.776 189 G HN 0.342 nan 8.290 nan 0.000 0.547 190 I N -1.382 119.048 120.570 -0.234 0.000 2.385 190 I HA 0.040 4.210 4.170 -0.000 0.000 0.244 190 I C 1.936 177.739 176.117 -0.522 0.000 1.089 190 I CA 0.677 61.716 61.300 -0.434 0.000 1.410 190 I CB 0.033 37.582 38.000 -0.752 0.000 1.117 190 I HN 0.088 nan 8.210 nan 0.000 0.429 191 Y N 0.870 121.030 120.300 -0.235 0.000 2.510 191 Y HA 0.205 4.755 4.550 -0.000 0.000 0.273 191 Y C 1.002 176.766 175.900 -0.226 0.000 1.119 191 Y CA -0.005 57.860 58.100 -0.390 0.000 1.286 191 Y CB -0.056 38.099 38.460 -0.509 0.000 1.061 191 Y HN -0.074 nan 8.280 nan 0.000 0.542 192 K N 0.758 121.116 120.400 -0.069 0.000 2.106 192 K HA 0.206 4.526 4.320 -0.000 0.000 0.246 192 K C -0.387 176.154 176.600 -0.099 0.000 0.987 192 K CA -0.699 55.568 56.287 -0.035 0.000 0.904 192 K CB 0.640 33.073 32.500 -0.113 0.000 1.071 192 K HN 0.118 nan 8.250 nan 0.000 0.453 193 N N 1.066 119.709 118.700 -0.094 0.000 2.492 193 N HA 0.025 4.765 4.740 -0.000 0.000 0.260 193 N C -0.655 174.652 175.510 -0.339 0.000 1.215 193 N CA -0.251 52.703 53.050 -0.161 0.000 0.923 193 N CB 0.430 38.829 38.487 -0.147 0.000 1.092 193 N HN 0.171 nan 8.380 nan 0.000 0.448 194 L N 4.737 125.713 121.223 -0.412 0.000 2.456 194 L HA 0.013 4.353 4.340 -0.000 0.000 0.277 194 L C 0.046 176.540 176.870 -0.627 0.000 1.124 194 L CA 0.077 54.490 54.840 -0.710 0.000 0.880 194 L CB -0.720 40.939 42.059 -0.666 0.000 1.192 194 L HN 0.724 nan 8.230 nan 0.000 0.463 195 Y N 1.457 121.647 120.300 -0.183 0.000 2.800 195 Y HA -0.452 4.098 4.550 -0.000 0.000 0.472 195 Y C 1.367 177.174 175.900 -0.154 0.000 1.131 195 Y CA 1.430 59.446 58.100 -0.140 0.000 2.768 195 Y CB -1.098 37.285 38.460 -0.127 0.000 1.151 195 Y HN 0.827 nan 8.280 nan 0.000 0.615 196 D N 0.142 120.556 120.400 0.024 0.000 2.582 196 D HA 0.245 4.884 4.640 -0.000 0.000 0.246 196 D C -0.472 175.728 176.300 -0.166 0.000 1.334 196 D CA -0.001 53.953 54.000 -0.076 0.000 0.805 196 D CB -0.615 40.181 40.800 -0.008 0.000 1.087 196 D HN 0.433 nan 8.370 nan 0.000 0.499 197 L N 1.452 122.568 121.223 -0.179 0.000 2.360 197 L HA 0.445 4.785 4.340 -0.000 0.000 0.276 197 L C 0.782 177.502 176.870 -0.250 0.000 1.121 197 L CA -0.793 53.905 54.840 -0.237 0.000 0.845 197 L CB 1.066 42.920 42.059 -0.343 0.000 1.143 197 L HN 0.043 nan 8.230 nan 0.000 0.452 198 A N 2.824 125.454 122.820 -0.316 0.000 2.496 198 A HA -0.002 4.318 4.320 -0.000 0.000 0.278 198 A C -0.006 177.626 177.584 0.080 0.000 1.137 198 A CA -0.225 51.568 52.037 -0.408 0.000 0.805 198 A CB -0.399 18.268 19.000 -0.555 0.000 1.077 198 A HN 0.708 nan 8.150 nan 0.000 0.513 199 D N 2.853 123.310 120.400 0.095 0.000 2.346 199 D HA 0.295 4.935 4.640 -0.000 0.000 0.260 199 D C 0.234 176.574 176.300 0.068 0.000 1.252 199 D CA 0.224 54.311 54.000 0.145 0.000 0.895 199 D CB 0.228 41.129 40.800 0.167 0.000 1.097 199 D HN 0.487 nan 8.370 nan 0.000 0.489 200 L N 3.436 124.592 121.223 -0.111 0.000 2.483 200 L HA 0.061 4.401 4.340 -0.000 0.000 0.276 200 L C 0.754 177.113 176.870 -0.851 0.000 1.213 200 L CA -0.074 54.450 54.840 -0.526 0.000 0.843 200 L CB 0.295 41.990 42.059 -0.606 0.000 1.107 200 L HN 0.415 nan 8.230 nan 0.000 0.487 201 N N 0.706 118.862 118.700 -0.907 0.000 2.589 201 N HA 0.151 4.890 4.740 -0.000 0.000 0.232 201 N C 0.382 175.517 175.510 -0.626 0.000 1.015 201 N CA -0.276 52.292 53.050 -0.804 0.000 0.931 201 N CB 0.428 38.573 38.487 -0.570 0.000 1.150 201 N HN 0.413 nan 8.380 nan 0.000 0.512 202 H N 0.973 119.798 119.070 -0.407 0.000 2.547 202 H HA 0.052 4.607 4.556 -0.000 0.000 0.272 202 H C 1.175 176.377 175.328 -0.211 0.000 0.989 202 H CA 0.526 56.240 56.048 -0.558 0.000 1.214 202 H CB 0.301 29.336 29.762 -1.212 0.000 1.389 202 H HN 0.500 nan 8.280 nan 0.000 0.577 203 N N 0.734 119.447 118.700 0.022 0.000 2.494 203 N HA -0.119 4.621 4.740 -0.000 0.000 0.182 203 N C 0.164 175.697 175.510 0.038 0.000 1.076 203 N CA 0.057 53.165 53.050 0.097 0.000 0.908 203 N CB 0.031 38.609 38.487 0.152 0.000 0.967 203 N HN 0.188 nan 8.380 nan 0.000 0.449 204 N N 0.233 118.907 118.700 -0.044 0.000 2.430 204 N HA 0.036 4.776 4.740 -0.000 0.000 0.265 204 N C 0.191 175.692 175.510 -0.016 0.000 1.100 204 N CA 0.165 53.185 53.050 -0.051 0.000 0.961 204 N CB 1.054 39.462 38.487 -0.132 0.000 1.075 204 N HN 0.013 nan 8.380 nan 0.000 0.478 205 S N 2.300 118.014 115.700 0.023 0.000 2.402 205 S HA -0.139 4.330 4.470 -0.000 0.000 0.233 205 S C 1.756 176.387 174.600 0.053 0.000 1.030 205 S CA 1.373 59.607 58.200 0.057 0.000 1.003 205 S CB 0.028 63.262 63.200 0.056 0.000 0.813 205 S HN 0.680 nan 8.310 nan 0.000 0.477 206 S N 0.918 116.623 115.700 0.009 0.000 2.355 206 S HA -0.043 4.427 4.470 -0.000 0.000 0.222 206 S C 2.033 176.640 174.600 0.012 0.000 1.031 206 S CA 1.056 59.257 58.200 0.002 0.000 0.993 206 S CB -0.391 62.778 63.200 -0.053 0.000 0.859 206 S HN 0.349 nan 8.310 nan 0.000 0.453 207 V N 2.244 122.119 119.914 -0.064 0.000 2.307 207 V HA -0.197 3.922 4.120 -0.000 0.000 0.245 207 V C 2.299 178.437 176.094 0.073 0.000 1.045 207 V CA 2.127 64.376 62.300 -0.085 0.000 1.024 207 V CB -0.795 30.848 31.823 -0.300 0.000 0.651 207 V HN 0.453 nan 8.190 nan 0.000 0.449 208 D N 0.176 120.639 120.400 0.105 0.000 2.103 208 D HA -0.186 4.454 4.640 -0.000 0.000 0.190 208 D C 1.986 178.480 176.300 0.323 0.000 0.997 208 D CA 1.977 56.164 54.000 0.312 0.000 0.833 208 D CB -0.179 40.816 40.800 0.325 0.000 0.961 208 D HN 0.191 nan 8.370 nan 0.000 0.447 209 V N -0.228 119.818 119.914 0.220 0.000 2.427 209 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 209 V C 2.100 178.311 176.094 0.195 0.000 1.051 209 V CA 1.789 64.198 62.300 0.181 0.000 1.048 209 V CB -0.872 31.029 31.823 0.130 0.000 0.666 209 V HN 0.344 nan 8.190 nan 0.000 0.456 210 Y N 0.604 120.952 120.300 0.081 0.000 2.128 210 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 210 Y C 2.173 178.143 175.900 0.116 0.000 1.154 210 Y CA 1.757 59.901 58.100 0.073 0.000 1.149 210 Y CB -0.279 38.195 38.460 0.023 0.000 0.976 210 Y HN 0.150 nan 8.280 nan 0.000 0.505 211 L N -0.081 121.207 121.223 0.109 0.000 2.093 211 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 211 L C 2.429 179.474 176.870 0.293 0.000 1.085 211 L CA 1.459 56.358 54.840 0.098 0.000 0.755 211 L CB -0.445 41.760 42.059 0.244 0.000 0.904 211 L HN 0.137 nan 8.230 nan 0.000 0.435 212 K N -0.247 120.339 120.400 0.310 0.000 2.097 212 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 212 K C 1.587 178.210 176.600 0.038 0.000 1.050 212 K CA 1.262 57.672 56.287 0.205 0.000 0.938 212 K CB -0.038 32.561 32.500 0.165 0.000 0.718 212 K HN 0.252 nan 8.250 nan 0.000 0.442 213 D N 0.418 120.825 120.400 0.012 0.000 2.194 213 D HA -0.053 4.587 4.640 -0.000 0.000 0.204 213 D C 1.780 178.047 176.300 -0.055 0.000 0.964 213 D CA 0.879 54.848 54.000 -0.051 0.000 0.846 213 D CB -0.034 40.751 40.800 -0.024 0.000 0.962 213 D HN 0.156 nan 8.370 nan 0.000 0.490 214 A N 0.863 123.651 122.820 -0.053 0.000 1.902 214 A HA -0.147 4.172 4.320 -0.000 0.000 0.217 214 A C 2.174 179.887 177.584 0.216 0.000 1.181 214 A CA 0.840 52.913 52.037 0.060 0.000 0.623 214 A CB -0.537 18.522 19.000 0.097 0.000 0.818 214 A HN 0.168 nan 8.150 nan 0.000 0.443 215 I N -0.089 120.552 120.570 0.118 0.000 2.315 215 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 215 I C 2.101 178.223 176.117 0.008 0.000 1.117 215 I CA 1.469 62.730 61.300 -0.066 0.000 1.404 215 I CB -0.350 37.474 38.000 -0.293 0.000 1.071 215 I HN 0.253 nan 8.210 nan 0.000 0.419 216 K N -0.440 119.934 120.400 -0.043 0.000 2.152 216 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 216 K C 2.151 178.780 176.600 0.049 0.000 1.048 216 K CA 1.834 58.103 56.287 -0.031 0.000 0.933 216 K CB -0.316 31.996 32.500 -0.313 0.000 0.721 216 K HN 0.407 nan 8.250 nan 0.000 0.447 217 M N -0.409 119.166 119.600 -0.042 0.000 2.099 217 M HA -0.173 4.306 4.480 -0.000 0.000 0.262 217 M C 1.419 177.621 176.300 -0.163 0.000 1.067 217 M CA 1.767 56.981 55.300 -0.143 0.000 1.124 217 M CB -0.147 32.268 32.600 -0.309 0.000 1.353 217 M HN 0.213 nan 8.290 nan 0.000 0.410 218 W N 0.301 121.621 121.300 0.034 0.000 2.402 218 W HA -0.184 4.476 4.660 -0.000 0.000 0.286 218 W C 1.931 178.503 176.519 0.088 0.000 1.221 218 W CA -0.030 57.341 57.345 0.044 0.000 1.257 218 W CB -0.334 29.131 29.460 0.008 0.000 1.120 218 W HN 0.212 nan 8.180 nan 0.000 0.551 219 L N 0.275 121.651 121.223 0.254 0.000 2.083 219 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 219 L C 1.639 178.615 176.870 0.177 0.000 1.083 219 L CA 1.774 56.737 54.840 0.204 0.000 0.752 219 L CB -1.459 40.725 42.059 0.209 0.000 0.899 219 L HN -0.056 nan 8.230 nan 0.000 0.433 220 D N -0.794 119.704 120.400 0.164 0.000 2.310 220 D HA -0.091 4.549 4.640 -0.000 0.000 0.212 220 D C 2.045 178.408 176.300 0.106 0.000 0.965 220 D CA 0.740 54.811 54.000 0.119 0.000 0.879 220 D CB 0.077 40.934 40.800 0.095 0.000 0.921 220 D HN 0.300 nan 8.370 nan 0.000 0.510 221 L N -0.796 120.515 121.223 0.146 0.000 2.611 221 L HA 0.229 4.568 4.340 -0.000 0.000 0.229 221 L C 1.314 178.319 176.870 0.225 0.000 1.137 221 L CA 0.217 55.172 54.840 0.192 0.000 0.901 221 L CB 0.026 42.252 42.059 0.277 0.000 1.098 221 L HN 0.074 nan 8.230 nan 0.000 0.456 222 G N 0.582 109.508 108.800 0.209 0.000 2.131 222 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.223 222 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.223 222 G C 0.348 175.393 174.900 0.240 0.000 0.990 222 G CA 0.058 45.280 45.100 0.203 0.000 0.671 222 G HN 0.198 nan 8.290 nan 0.000 0.521 223 V N -2.293 117.794 119.914 0.288 0.000 3.139 223 V HA 0.527 4.647 4.120 -0.000 0.000 0.307 223 V C 0.888 177.140 176.094 0.263 0.000 1.095 223 V CA 0.779 63.250 62.300 0.286 0.000 1.160 223 V CB 1.215 33.240 31.823 0.337 0.000 1.003 223 V HN 0.123 nan 8.190 nan 0.000 0.489 224 D N 1.709 122.289 120.400 0.299 0.000 2.449 224 D HA 0.338 4.978 4.640 -0.000 0.000 0.210 224 D C 0.648 177.190 176.300 0.403 0.000 1.094 224 D CA 1.187 55.402 54.000 0.358 0.000 0.846 224 D CB 1.376 42.425 40.800 0.415 0.000 1.003 224 D HN 0.957 nan 8.370 nan 0.000 0.504 225 G N 0.413 109.375 108.800 0.270 0.000 2.646 225 G HA2 0.586 4.546 3.960 -0.000 0.000 0.291 225 G HA3 0.586 4.546 3.960 -0.000 0.000 0.291 225 G C -1.762 173.154 174.900 0.027 0.000 1.445 225 G CA -0.646 44.524 45.100 0.117 0.000 0.814 225 G HN -0.015 nan 8.290 nan 0.000 0.495 226 I N 0.661 121.162 120.570 -0.115 0.000 2.499 226 I HA 0.485 4.655 4.170 -0.000 0.000 0.288 226 I C -0.350 175.460 176.117 -0.512 0.000 1.048 226 I CA -0.921 60.270 61.300 -0.182 0.000 1.062 226 I CB 2.348 40.285 38.000 -0.105 0.000 1.238 226 I HN 0.244 nan 8.210 nan 0.000 0.426 227 R N 6.151 126.287 120.500 -0.606 0.000 2.246 227 R HA 0.519 4.858 4.340 -0.000 0.000 0.332 227 R C -1.551 174.557 176.300 -0.320 0.000 0.974 227 R CA -0.590 54.897 56.100 -1.022 0.000 0.837 227 R CB 1.382 30.947 30.300 -1.225 0.000 1.145 227 R HN 0.434 nan 8.270 nan 0.000 0.467 228 V N 4.382 124.174 119.914 -0.204 0.000 2.432 228 V HA 0.091 4.211 4.120 -0.000 0.000 0.275 228 V C 0.491 176.636 176.094 0.084 0.000 1.043 228 V CA -0.737 61.596 62.300 0.056 0.000 0.925 228 V CB 1.287 33.199 31.823 0.148 0.000 0.985 228 V HN 0.669 nan 8.190 nan 0.000 0.466 229 D N 4.162 124.642 120.400 0.132 0.000 2.345 229 D HA 0.474 5.113 4.640 -0.000 0.000 0.247 229 D C 0.789 177.167 176.300 0.131 0.000 1.108 229 D CA 0.552 54.642 54.000 0.151 0.000 0.894 229 D CB 1.042 41.938 40.800 0.161 0.000 1.203 229 D HN 1.106 nan 8.370 nan 0.000 0.430 230 A N 2.495 125.400 122.820 0.142 0.000 2.640 230 A HA -0.181 4.139 4.320 -0.000 0.000 0.300 230 A C 1.520 179.131 177.584 0.045 0.000 1.499 230 A CA 0.974 53.097 52.037 0.145 0.000 0.759 230 A CB -2.378 16.756 19.000 0.223 0.000 1.048 230 A HN 1.133 nan 8.150 nan 0.000 0.450 231 V N -2.010 117.889 119.914 -0.024 0.000 2.720 231 V HA -0.176 3.943 4.120 -0.000 0.000 0.256 231 V C 1.892 177.816 176.094 -0.284 0.000 1.082 231 V CA 2.466 64.703 62.300 -0.104 0.000 1.101 231 V CB -0.666 31.020 31.823 -0.229 0.000 0.693 231 V HN 0.682 nan 8.190 nan 0.000 0.479 232 K N -0.845 119.207 120.400 -0.580 0.000 2.432 232 K HA -0.074 4.246 4.320 -0.000 0.000 0.196 232 K C 1.361 177.518 176.600 -0.738 0.000 1.038 232 K CA 0.804 56.518 56.287 -0.955 0.000 0.986 232 K CB -0.067 31.504 32.500 -1.548 0.000 0.782 232 K HN 0.660 nan 8.250 nan 0.000 0.485 233 H N -0.910 118.047 119.070 -0.189 0.000 2.592 233 H HA 0.260 4.816 4.556 -0.000 0.000 0.279 233 H C -0.188 175.028 175.328 -0.186 0.000 1.089 233 H CA 0.024 55.960 56.048 -0.186 0.000 1.150 233 H CB 0.351 30.035 29.762 -0.130 0.000 1.575 233 H HN 0.106 nan 8.280 nan 0.000 0.547 234 M N 0.742 120.285 119.600 -0.095 0.000 2.591 234 M HA 0.368 4.848 4.480 -0.000 0.000 0.306 234 M C -2.585 173.597 176.300 -0.196 0.000 1.190 234 M CA -1.882 53.357 55.300 -0.102 0.000 0.889 234 M CB 2.796 35.397 32.600 0.002 0.000 1.728 234 M HN -0.213 nan 8.290 nan 0.000 0.458 235 P HA 0.048 nan 4.420 nan 0.000 0.267 235 P C -0.148 177.194 177.300 0.070 0.000 1.209 235 P CA -0.024 62.960 63.100 -0.194 0.000 0.763 235 P CB 0.172 31.888 31.700 0.027 0.000 0.816 236 F N 2.249 122.320 119.950 0.202 0.000 2.171 236 F HA -0.067 4.460 4.527 -0.000 0.000 0.300 236 F C 2.472 178.375 175.800 0.172 0.000 1.090 236 F CA 1.647 59.813 58.000 0.277 0.000 1.293 236 F CB -2.058 37.138 39.000 0.327 0.000 1.013 236 F HN 0.366 nan 8.300 nan 0.000 0.486 237 G N -1.546 107.398 108.800 0.239 0.000 2.422 237 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.218 237 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.218 237 G C 1.545 176.557 174.900 0.187 0.000 1.140 237 G CA 0.496 45.704 45.100 0.180 0.000 0.775 237 G HN 0.488 nan 8.290 nan 0.000 0.545 238 W N 1.127 122.476 121.300 0.081 0.000 2.418 238 W HA 0.040 4.700 4.660 -0.000 0.000 0.292 238 W C 2.691 179.271 176.519 0.101 0.000 1.213 238 W CA 1.274 58.661 57.345 0.070 0.000 1.283 238 W CB 0.061 29.515 29.460 -0.010 0.000 1.119 238 W HN 0.251 nan 8.180 nan 0.000 0.542 239 Q N 0.293 120.173 119.800 0.133 0.000 2.124 239 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 239 Q C 2.180 178.164 176.000 -0.028 0.000 0.977 239 Q CA 1.720 57.554 55.803 0.052 0.000 0.850 239 Q CB -0.405 28.552 28.738 0.366 0.000 0.901 239 Q HN 0.298 nan 8.270 nan 0.000 0.429 240 K N 0.644 121.043 120.400 -0.002 0.000 2.103 240 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 240 K C 2.260 178.793 176.600 -0.113 0.000 1.048 240 K CA 1.631 57.885 56.287 -0.055 0.000 0.930 240 K CB -0.019 32.476 32.500 -0.009 0.000 0.716 240 K HN 0.213 nan 8.250 nan 0.000 0.444 241 S N -0.137 115.463 115.700 -0.168 0.000 2.406 241 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 241 S C 1.871 176.305 174.600 -0.277 0.000 1.020 241 S CA 0.616 58.699 58.200 -0.195 0.000 0.965 241 S CB -0.570 62.520 63.200 -0.183 0.000 0.798 241 S HN 0.390 nan 8.310 nan 0.000 0.488 242 F N 2.272 121.828 119.950 -0.655 0.000 2.113 242 F HA 0.062 4.588 4.527 -0.000 0.000 0.297 242 F C 2.305 177.917 175.800 -0.314 0.000 1.103 242 F CA 1.354 58.986 58.000 -0.614 0.000 1.248 242 F CB -0.342 38.055 39.000 -1.004 0.000 0.999 242 F HN 0.087 nan 8.300 nan 0.000 0.475 243 M N 0.369 119.823 119.600 -0.244 0.000 2.159 243 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 243 M C 2.478 178.644 176.300 -0.225 0.000 1.063 243 M CA 1.534 56.687 55.300 -0.245 0.000 1.110 243 M CB -2.012 30.509 32.600 -0.132 0.000 1.374 243 M HN 0.299 nan 8.290 nan 0.000 0.411 244 A N -0.704 122.007 122.820 -0.182 0.000 2.015 244 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 244 A C 2.295 179.799 177.584 -0.134 0.000 1.163 244 A CA 1.948 53.905 52.037 -0.133 0.000 0.646 244 A CB -0.915 18.025 19.000 -0.100 0.000 0.806 244 A HN 0.477 nan 8.150 nan 0.000 0.448 245 T N 0.196 114.631 114.554 -0.198 0.000 2.812 245 T HA -0.027 4.323 4.350 -0.000 0.000 0.264 245 T C 1.790 176.390 174.700 -0.166 0.000 1.042 245 T CA 1.381 63.373 62.100 -0.179 0.000 1.140 245 T CB -0.330 68.400 68.868 -0.231 0.000 0.870 245 T HN 0.433 nan 8.240 nan 0.000 0.445 246 I N 1.720 122.119 120.570 -0.284 0.000 2.142 246 I HA -0.180 3.990 4.170 -0.000 0.000 0.240 246 I C 2.341 178.418 176.117 -0.067 0.000 1.078 246 I CA 1.015 62.197 61.300 -0.198 0.000 1.343 246 I CB -0.335 37.464 38.000 -0.335 0.000 1.046 246 I HN 0.161 nan 8.210 nan 0.000 0.405 247 N N 0.885 119.533 118.700 -0.087 0.000 2.270 247 N HA -0.119 4.620 4.740 -0.000 0.000 0.181 247 N C 1.388 176.893 175.510 -0.008 0.000 1.016 247 N CA 1.017 54.044 53.050 -0.038 0.000 0.870 247 N CB -0.526 37.935 38.487 -0.044 0.000 0.979 247 N HN 0.336 nan 8.380 nan 0.000 0.431 248 N N -0.312 118.388 118.700 -0.001 0.000 2.467 248 N HA -0.049 4.690 4.740 -0.000 0.000 0.184 248 N C 1.117 176.676 175.510 0.082 0.000 1.106 248 N CA 0.193 53.259 53.050 0.026 0.000 0.892 248 N CB 0.115 38.611 38.487 0.014 0.000 0.969 248 N HN 0.459 nan 8.380 nan 0.000 0.454 249 Y N 0.437 120.700 120.300 -0.061 0.000 2.331 249 Y HA 0.254 4.803 4.550 -0.000 0.000 0.282 249 Y C -0.085 175.794 175.900 -0.034 0.000 1.140 249 Y CA 0.411 58.481 58.100 -0.050 0.000 1.198 249 Y CB 0.680 39.099 38.460 -0.068 0.000 1.159 249 Y HN -0.285 nan 8.280 nan 0.000 0.512 250 K N 1.840 122.111 120.400 -0.214 0.000 2.896 250 K HA 0.254 4.574 4.320 -0.000 0.000 0.228 250 K C -2.927 173.631 176.600 -0.069 0.000 1.151 250 K CA -2.038 54.102 56.287 -0.245 0.000 1.035 250 K CB 1.590 33.880 32.500 -0.351 0.000 1.263 250 K HN 0.041 nan 8.250 nan 0.000 0.574 251 P HA -0.009 nan 4.420 nan 0.000 0.267 251 P C -0.346 176.980 177.300 0.044 0.000 1.209 251 P CA -0.164 62.938 63.100 0.003 0.000 0.763 251 P CB 0.935 32.647 31.700 0.021 0.000 0.816 252 V N 1.076 121.028 119.914 0.064 0.000 3.078 252 V HA 0.496 4.616 4.120 -0.000 0.000 0.311 252 V C -0.418 175.771 176.094 0.158 0.000 1.138 252 V CA -1.557 60.827 62.300 0.140 0.000 1.007 252 V CB 1.804 33.709 31.823 0.136 0.000 1.045 252 V HN 0.371 nan 8.190 nan 0.000 0.432 253 F N 2.090 122.054 119.950 0.023 0.000 2.590 253 F HA 0.461 4.988 4.527 -0.001 0.000 0.389 253 F C 0.417 176.174 175.800 -0.072 0.000 1.049 253 F CA 1.023 58.968 58.000 -0.091 0.000 1.199 253 F CB 0.308 39.065 39.000 -0.406 0.000 1.058 253 F HN 0.766 nan 8.300 nan 0.000 0.556 254 T N 7.908 122.242 114.554 -0.367 0.000 2.824 254 T HA 0.563 4.913 4.350 -0.000 0.000 0.282 254 T C -1.039 173.425 174.700 -0.394 0.000 0.993 254 T CA -0.348 61.555 62.100 -0.329 0.000 0.967 254 T CB 1.067 69.836 68.868 -0.166 0.000 0.960 254 T HN 0.473 nan 8.240 nan 0.000 0.441 255 F N -0.433 119.180 119.950 -0.561 0.000 2.626 255 F HA 0.917 5.444 4.527 -0.000 0.000 0.311 255 F C -0.015 175.695 175.800 -0.150 0.000 1.088 255 F CA -1.263 56.488 58.000 -0.415 0.000 0.949 255 F CB 1.220 39.852 39.000 -0.612 0.000 1.322 255 F HN 0.733 nan 8.300 nan 0.000 0.461 256 G N 0.048 108.901 108.800 0.087 0.000 2.600 256 G HA2 0.525 4.485 3.960 -0.000 0.000 0.303 256 G HA3 0.525 4.485 3.960 -0.000 0.000 0.303 256 G C -2.149 172.889 174.900 0.230 0.000 1.253 256 G CA -0.895 44.269 45.100 0.107 0.000 0.974 256 G HN 0.923 nan 8.290 nan 0.000 0.483 257 E N 0.009 120.357 120.200 0.247 0.000 2.133 257 E HA 0.320 4.670 4.350 -0.000 0.000 0.274 257 E C -1.480 175.316 176.600 0.327 0.000 0.930 257 E CA -0.926 55.706 56.400 0.386 0.000 0.770 257 E CB 1.359 31.314 29.700 0.425 0.000 1.104 257 E HN 0.437 nan 8.360 nan 0.000 0.403 258 W N 8.057 129.450 121.300 0.155 0.000 2.521 258 W HA 0.281 4.941 4.660 -0.000 0.000 0.310 258 W C -1.976 174.510 176.519 -0.055 0.000 1.000 258 W CA -1.524 55.856 57.345 0.058 0.000 1.353 258 W CB 0.423 29.924 29.460 0.069 0.000 1.276 258 W HN 0.517 nan 8.180 nan 0.000 0.417 259 F N 6.148 126.000 119.950 -0.164 0.000 2.529 259 F HA 0.398 4.925 4.527 -0.000 0.000 0.365 259 F C -0.459 175.161 175.800 -0.300 0.000 1.102 259 F CA 0.572 58.137 58.000 -0.725 0.000 1.271 259 F CB 0.651 39.373 39.000 -0.463 0.000 1.120 259 F HN 0.168 nan 8.300 nan 0.000 0.579 260 L N 5.297 126.072 121.223 -0.747 0.000 2.354 260 L HA 0.609 4.948 4.340 -0.000 0.000 0.269 260 L C 0.452 177.118 176.870 -0.340 0.000 1.005 260 L CA -0.915 53.746 54.840 -0.298 0.000 0.819 260 L CB 1.806 43.653 42.059 -0.354 0.000 1.311 260 L HN 0.748 nan 8.230 nan 0.000 0.423 261 G N 0.408 109.192 108.800 -0.027 0.000 2.537 261 G HA2 0.524 4.484 3.960 -0.000 0.000 0.297 261 G HA3 0.524 4.484 3.960 -0.000 0.000 0.297 261 G C -0.208 174.701 174.900 0.015 0.000 1.310 261 G CA -0.618 44.521 45.100 0.064 0.000 1.027 261 G HN 0.431 nan 8.290 nan 0.000 0.505 262 V N -0.852 119.088 119.914 0.043 0.000 2.673 262 V HA 0.138 4.258 4.120 -0.000 0.000 0.303 262 V C 0.814 176.913 176.094 0.010 0.000 1.046 262 V CA 0.407 62.720 62.300 0.021 0.000 1.126 262 V CB -0.198 31.639 31.823 0.022 0.000 0.934 262 V HN 0.974 nan 8.190 nan 0.000 0.487 263 N N -0.268 118.431 118.700 -0.003 0.000 2.778 263 N HA -0.242 4.498 4.740 -0.000 0.000 0.249 263 N C 0.248 175.753 175.510 -0.008 0.000 1.069 263 N CA 1.310 54.356 53.050 -0.005 0.000 0.831 263 N CB -0.758 37.728 38.487 -0.001 0.000 1.142 263 N HN 1.032 nan 8.380 nan 0.000 0.573 264 E N 1.377 121.566 120.200 -0.018 0.000 2.194 264 E HA 0.400 4.750 4.350 -0.000 0.000 0.284 264 E C -0.631 175.929 176.600 -0.067 0.000 1.035 264 E CA -0.380 56.004 56.400 -0.027 0.000 0.836 264 E CB 0.580 30.265 29.700 -0.024 0.000 1.070 264 E HN 0.226 nan 8.360 nan 0.000 0.401 265 I N 3.323 123.872 120.570 -0.035 0.000 2.433 265 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 265 I C -0.367 175.749 176.117 -0.000 0.000 1.001 265 I CA -0.867 60.419 61.300 -0.023 0.000 1.119 265 I CB 2.010 40.009 38.000 -0.002 0.000 1.289 265 I HN 0.354 nan 8.210 nan 0.000 0.438 266 S N 5.864 121.572 115.700 0.013 0.000 2.614 266 S HA 0.523 4.993 4.470 -0.000 0.000 0.288 266 S C -2.360 172.321 174.600 0.136 0.000 1.137 266 S CA -1.324 56.909 58.200 0.055 0.000 0.992 266 S CB 2.134 65.348 63.200 0.024 0.000 1.026 266 S HN 0.311 nan 8.310 nan 0.000 0.486 267 P HA -0.063 nan 4.420 nan 0.000 0.215 267 P C 0.940 178.284 177.300 0.073 0.000 1.153 267 P CA 1.203 64.368 63.100 0.108 0.000 0.853 267 P CB 0.155 31.904 31.700 0.082 0.000 0.788 268 E N -1.485 118.754 120.200 0.064 0.000 2.085 268 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 268 E C 1.987 178.333 176.600 -0.424 0.000 0.994 268 E CA 1.173 57.579 56.400 0.010 0.000 0.801 268 E CB -1.388 28.489 29.700 0.295 0.000 0.743 268 E HN 0.382 nan 8.360 nan 0.000 0.453 269 Y N 0.727 120.478 120.300 -0.915 0.000 2.181 269 Y HA -0.259 4.291 4.550 -0.000 0.000 0.288 269 Y C 2.202 177.669 175.900 -0.721 0.000 1.146 269 Y CA 1.920 59.158 58.100 -1.436 0.000 1.164 269 Y CB -0.164 37.528 38.460 -1.280 0.000 0.982 269 Y HN 0.186 nan 8.280 nan 0.000 0.515 270 H N -0.226 118.722 119.070 -0.203 0.000 2.395 270 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 270 H C 2.184 177.421 175.328 -0.152 0.000 1.070 270 H CA 1.694 57.624 56.048 -0.196 0.000 1.356 270 H CB -0.246 29.425 29.762 -0.152 0.000 1.401 270 H HN 0.528 nan 8.280 nan 0.000 0.524 271 Q N 0.059 119.841 119.800 -0.029 0.000 2.084 271 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 271 Q C 2.154 178.105 176.000 -0.082 0.000 0.978 271 Q CA 1.267 57.051 55.803 -0.031 0.000 0.844 271 Q CB -0.125 28.610 28.738 -0.003 0.000 0.898 271 Q HN 0.302 nan 8.270 nan 0.000 0.426 272 F N 0.349 120.127 119.950 -0.288 0.000 2.102 272 F HA -0.181 4.346 4.527 -0.001 0.000 0.298 272 F C 2.086 177.783 175.800 -0.173 0.000 1.105 272 F CA 1.584 59.431 58.000 -0.255 0.000 1.239 272 F CB -0.359 38.445 39.000 -0.326 0.000 0.991 272 F HN 0.148 nan 8.300 nan 0.000 0.474 273 A N -0.016 122.762 122.820 -0.071 0.000 2.019 273 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 273 A C 1.831 179.387 177.584 -0.047 0.000 1.164 273 A CA 1.850 53.860 52.037 -0.044 0.000 0.644 273 A CB -0.698 18.315 19.000 0.023 0.000 0.805 273 A HN 0.508 nan 8.150 nan 0.000 0.449 274 N N -0.583 118.090 118.700 -0.045 0.000 2.415 274 N HA 0.003 4.743 4.740 -0.000 0.000 0.176 274 N C 1.097 176.562 175.510 -0.075 0.000 1.042 274 N CA 1.105 54.141 53.050 -0.022 0.000 0.902 274 N CB 0.045 38.535 38.487 0.006 0.000 0.986 274 N HN 0.685 nan 8.380 nan 0.000 0.447 275 E N -0.838 119.275 120.200 -0.146 0.000 2.572 275 E HA 0.099 4.449 4.350 -0.000 0.000 0.220 275 E C 1.271 177.732 176.600 -0.231 0.000 0.945 275 E CA -0.031 56.279 56.400 -0.151 0.000 1.070 275 E CB 0.473 30.113 29.700 -0.099 0.000 1.090 275 E HN 0.227 nan 8.360 nan 0.000 0.506 276 S N -0.555 114.897 115.700 -0.413 0.000 2.414 276 S HA 0.084 4.553 4.470 -0.000 0.000 0.227 276 S C 1.801 176.223 174.600 -0.296 0.000 1.022 276 S CA 0.785 58.676 58.200 -0.515 0.000 0.958 276 S CB 0.264 62.743 63.200 -1.201 0.000 0.797 276 S HN 0.311 nan 8.310 nan 0.000 0.493 277 G N 1.269 109.930 108.800 -0.231 0.000 2.179 277 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 277 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 277 G C -0.067 174.757 174.900 -0.126 0.000 0.990 277 G CA 0.123 45.131 45.100 -0.154 0.000 0.646 277 G HN 0.920 nan 8.290 nan 0.000 0.517 278 M N 0.109 119.618 119.600 -0.150 0.000 2.644 278 M HA 0.843 5.323 4.480 -0.000 0.000 0.304 278 M C 0.314 176.582 176.300 -0.053 0.000 1.215 278 M CA -0.307 54.943 55.300 -0.084 0.000 0.871 278 M CB 2.047 34.643 32.600 -0.007 0.000 1.740 278 M HN 0.535 nan 8.290 nan 0.000 0.464 279 S N 1.113 116.784 115.700 -0.048 0.000 2.713 279 S HA 0.817 5.287 4.470 -0.000 0.000 0.277 279 S C -0.559 174.087 174.600 0.077 0.000 1.168 279 S CA -0.772 57.421 58.200 -0.011 0.000 0.994 279 S CB 1.119 64.292 63.200 -0.046 0.000 1.054 279 S HN 0.621 nan 8.310 nan 0.000 0.555 280 L N 0.091 121.349 121.223 0.058 0.000 2.323 280 L HA 0.543 4.883 4.340 -0.000 0.000 0.265 280 L C -0.522 176.466 176.870 0.196 0.000 1.012 280 L CA -0.997 53.930 54.840 0.145 0.000 0.820 280 L CB 1.372 43.420 42.059 -0.018 0.000 1.334 280 L HN 0.750 nan 8.230 nan 0.000 0.427 281 L N 2.158 123.610 121.223 0.381 0.000 2.410 281 L HA 0.120 4.459 4.340 -0.000 0.000 0.273 281 L C 0.012 177.225 176.870 0.572 0.000 1.144 281 L CA -0.110 54.986 54.840 0.427 0.000 0.863 281 L CB 0.320 42.653 42.059 0.456 0.000 1.140 281 L HN 0.506 nan 8.230 nan 0.000 0.463 282 D N 3.448 124.111 120.400 0.437 0.000 2.517 282 D HA 0.036 4.675 4.640 -0.000 0.000 0.220 282 D C 0.859 177.331 176.300 0.287 0.000 1.158 282 D CA 0.008 54.233 54.000 0.375 0.000 0.992 282 D CB 0.228 41.075 40.800 0.077 0.000 1.058 282 D HN 0.287 nan 8.370 nan 0.000 0.516 283 F N 1.126 121.325 119.950 0.415 0.000 2.365 283 F HA -0.025 4.502 4.527 -0.001 0.000 0.300 283 F C 2.523 178.342 175.800 0.032 0.000 1.090 283 F CA 0.496 58.588 58.000 0.152 0.000 1.408 283 F CB 0.101 39.136 39.000 0.059 0.000 1.060 283 F HN 0.275 nan 8.300 nan 0.000 0.534 284 R N -0.476 120.203 120.500 0.298 0.000 2.115 284 R HA -0.151 4.189 4.340 -0.000 0.000 0.226 284 R C 2.232 178.654 176.300 0.203 0.000 1.100 284 R CA 1.089 57.305 56.100 0.193 0.000 0.980 284 R CB -0.428 30.026 30.300 0.258 0.000 0.875 284 R HN 0.325 nan 8.270 nan 0.000 0.445 285 F N 0.802 120.792 119.950 0.068 0.000 2.084 285 F HA -0.089 4.437 4.527 -0.000 0.000 0.296 285 F C 2.165 177.914 175.800 -0.086 0.000 1.111 285 F CA 1.644 59.653 58.000 0.015 0.000 1.224 285 F CB -0.344 38.635 39.000 -0.034 0.000 0.991 285 F HN 0.066 nan 8.300 nan 0.000 0.471 286 A N 0.064 122.852 122.820 -0.054 0.000 1.883 286 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 286 A C 2.122 179.638 177.584 -0.114 0.000 1.186 286 A CA 1.745 53.598 52.037 -0.307 0.000 0.624 286 A CB -0.809 17.505 19.000 -1.142 0.000 0.822 286 A HN 0.533 nan 8.150 nan 0.000 0.444 287 Q N -0.648 119.117 119.800 -0.059 0.000 2.119 287 Q HA -0.155 4.185 4.340 -0.000 0.000 0.201 287 Q C 2.052 178.048 176.000 -0.008 0.000 0.972 287 Q CA 1.734 57.537 55.803 0.000 0.000 0.847 287 Q CB -0.324 28.425 28.738 0.018 0.000 0.903 287 Q HN 0.607 nan 8.270 nan 0.000 0.433 288 K N 1.150 121.533 120.400 -0.029 0.000 2.097 288 K HA 0.001 4.321 4.320 -0.000 0.000 0.205 288 K C 1.865 178.415 176.600 -0.083 0.000 1.050 288 K CA 1.221 57.472 56.287 -0.061 0.000 0.938 288 K CB -0.469 31.992 32.500 -0.064 0.000 0.718 288 K HN 0.117 nan 8.250 nan 0.000 0.442 289 A N 0.926 123.714 122.820 -0.053 0.000 1.883 289 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 289 A C 2.157 179.900 177.584 0.264 0.000 1.186 289 A CA 1.846 53.955 52.037 0.120 0.000 0.624 289 A CB -0.513 18.589 19.000 0.169 0.000 0.822 289 A HN 0.365 nan 8.150 nan 0.000 0.444 290 R N -0.637 119.995 120.500 0.220 0.000 2.081 290 R HA -0.133 4.206 4.340 -0.000 0.000 0.235 290 R C 2.489 178.802 176.300 0.022 0.000 1.131 290 R CA 1.562 57.768 56.100 0.177 0.000 0.960 290 R CB -0.351 30.008 30.300 0.097 0.000 0.856 290 R HN 0.681 nan 8.270 nan 0.000 0.436 291 Q N -0.030 119.756 119.800 -0.022 0.000 2.135 291 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 291 Q C 2.116 178.041 176.000 -0.125 0.000 0.981 291 Q CA 1.575 57.337 55.803 -0.070 0.000 0.856 291 Q CB 0.065 28.761 28.738 -0.070 0.000 0.902 291 Q HN 0.219 nan 8.270 nan 0.000 0.425 292 V N -0.730 119.053 119.914 -0.219 0.000 2.374 292 V HA -0.124 3.996 4.120 -0.000 0.000 0.241 292 V C 1.593 177.433 176.094 -0.423 0.000 1.034 292 V CA 1.457 63.502 62.300 -0.424 0.000 1.037 292 V CB -0.330 31.063 31.823 -0.716 0.000 0.682 292 V HN 0.244 nan 8.190 nan 0.000 0.463 293 F N -0.534 119.428 119.950 0.021 0.000 2.473 293 F HA 0.171 4.698 4.527 -0.000 0.000 0.294 293 F C 2.453 178.349 175.800 0.161 0.000 1.103 293 F CA 0.871 58.948 58.000 0.129 0.000 1.442 293 F CB 0.081 39.224 39.000 0.237 0.000 1.097 293 F HN -0.079 nan 8.300 nan 0.000 0.547 294 R N 0.243 120.815 120.500 0.119 0.000 2.076 294 R HA 0.018 4.358 4.340 -0.000 0.000 0.203 294 R C 1.133 177.347 176.300 -0.143 0.000 1.229 294 R CA 0.897 56.862 56.100 -0.225 0.000 1.094 294 R CB -0.021 29.798 30.300 -0.803 0.000 0.991 294 R HN 0.013 nan 8.270 nan 0.000 0.471 295 D N 0.530 120.855 120.400 -0.126 0.000 2.350 295 D HA -0.070 4.570 4.640 -0.000 0.000 0.213 295 D C -0.236 176.025 176.300 -0.066 0.000 1.031 295 D CA 0.227 54.170 54.000 -0.095 0.000 0.861 295 D CB -0.243 40.507 40.800 -0.084 0.000 0.926 295 D HN 0.381 nan 8.370 nan 0.000 0.520 296 N N 1.363 120.023 118.700 -0.066 0.000 2.686 296 N HA -0.211 4.528 4.740 -0.000 0.000 0.261 296 N C 0.199 175.675 175.510 -0.056 0.000 1.001 296 N CA 0.688 53.700 53.050 -0.064 0.000 0.764 296 N CB -0.470 37.990 38.487 -0.044 0.000 0.898 296 N HN 0.235 nan 8.380 nan 0.000 0.544 297 T N -3.341 111.176 114.554 -0.061 0.000 3.054 297 T HA 0.241 4.591 4.350 -0.000 0.000 0.255 297 T C 0.031 174.700 174.700 -0.052 0.000 1.035 297 T CA -0.123 61.948 62.100 -0.048 0.000 0.941 297 T CB 0.748 69.592 68.868 -0.040 0.000 1.026 297 T HN 0.316 nan 8.240 nan 0.000 0.533 298 D N 0.825 121.180 120.400 -0.075 0.000 2.639 298 D HA 0.415 5.055 4.640 -0.000 0.000 0.271 298 D C -1.337 174.898 176.300 -0.108 0.000 1.254 298 D CA -0.551 53.405 54.000 -0.074 0.000 0.810 298 D CB 1.844 42.599 40.800 -0.076 0.000 1.351 298 D HN 0.301 nan 8.370 nan 0.000 0.427 299 N N -0.178 118.472 118.700 -0.084 0.000 2.989 299 N HA 0.282 5.021 4.740 -0.000 0.000 0.338 299 N C 0.870 176.290 175.510 -0.150 0.000 1.369 299 N CA -0.517 52.467 53.050 -0.109 0.000 0.794 299 N CB 0.253 38.724 38.487 -0.027 0.000 1.359 299 N HN 0.179 nan 8.380 nan 0.000 0.609 300 M N -0.941 118.541 119.600 -0.197 0.000 2.358 300 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 300 M C 1.069 177.215 176.300 -0.257 0.000 1.064 300 M CA 1.415 56.550 55.300 -0.275 0.000 1.093 300 M CB -1.292 31.125 32.600 -0.305 0.000 1.401 300 M HN 0.547 nan 8.290 nan 0.000 0.440 301 Y N -0.150 120.100 120.300 -0.083 0.000 2.314 301 Y HA -0.069 4.481 4.550 -0.000 0.000 0.293 301 Y C 2.556 178.419 175.900 -0.061 0.000 1.129 301 Y CA 1.048 59.112 58.100 -0.061 0.000 1.201 301 Y CB -0.680 37.745 38.460 -0.058 0.000 0.999 301 Y HN 0.312 nan 8.280 nan 0.000 0.541 302 G N -0.185 108.654 108.800 0.066 0.000 2.404 302 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.215 302 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.215 302 G C 1.561 176.437 174.900 -0.040 0.000 1.174 302 G CA 0.849 45.949 45.100 0.000 0.000 0.780 302 G HN 0.301 nan 8.290 nan 0.000 0.537 303 L N 0.838 121.995 121.223 -0.110 0.000 2.046 303 L HA 0.035 4.374 4.340 -0.000 0.000 0.208 303 L C 2.750 179.593 176.870 -0.045 0.000 1.077 303 L CA 2.445 57.201 54.840 -0.140 0.000 0.747 303 L CB -0.396 41.492 42.059 -0.284 0.000 0.896 303 L HN 0.279 nan 8.230 nan 0.000 0.432 304 K N -0.620 119.762 120.400 -0.029 0.000 2.032 304 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 304 K C 1.924 178.558 176.600 0.056 0.000 1.048 304 K CA 1.547 57.850 56.287 0.026 0.000 0.927 304 K CB -0.281 32.235 32.500 0.026 0.000 0.712 304 K HN 0.399 nan 8.250 nan 0.000 0.441 305 A N 1.566 124.420 122.820 0.058 0.000 1.969 305 A HA -0.133 4.186 4.320 -0.000 0.000 0.218 305 A C 2.117 179.730 177.584 0.050 0.000 1.169 305 A CA 1.352 53.422 52.037 0.055 0.000 0.635 305 A CB -0.488 18.541 19.000 0.047 0.000 0.810 305 A HN 0.489 nan 8.150 nan 0.000 0.445 306 M N -0.148 119.479 119.600 0.045 0.000 2.156 306 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 306 M C 1.858 178.226 176.300 0.112 0.000 1.067 306 M CA 1.664 57.005 55.300 0.069 0.000 1.131 306 M CB -0.837 31.791 32.600 0.047 0.000 1.368 306 M HN 0.396 nan 8.290 nan 0.000 0.416 307 L N 0.027 121.314 121.223 0.106 0.000 2.141 307 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 307 L C 2.232 179.173 176.870 0.119 0.000 1.094 307 L CA 1.224 56.143 54.840 0.131 0.000 0.763 307 L CB -0.580 41.538 42.059 0.098 0.000 0.908 307 L HN 0.343 nan 8.230 nan 0.000 0.437 308 E N -0.158 120.099 120.200 0.095 0.000 2.112 308 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 308 E C 2.270 178.912 176.600 0.070 0.000 0.979 308 E CA 0.866 57.316 56.400 0.084 0.000 0.814 308 E CB -0.212 29.532 29.700 0.074 0.000 0.762 308 E HN 0.520 nan 8.360 nan 0.000 0.460 309 G N 1.230 110.067 108.800 0.061 0.000 2.404 309 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.215 309 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.215 309 G C 1.739 176.664 174.900 0.043 0.000 1.174 309 G CA 1.072 46.189 45.100 0.029 0.000 0.780 309 G HN 0.373 nan 8.290 nan 0.000 0.537 310 S N 0.263 116.038 115.700 0.124 0.000 2.419 310 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 310 S C 1.987 176.757 174.600 0.282 0.000 1.016 310 S CA 1.662 60.007 58.200 0.241 0.000 0.974 310 S CB -0.213 63.244 63.200 0.430 0.000 0.786 310 S HN 0.542 nan 8.310 nan 0.000 0.492 311 E N 0.376 120.687 120.200 0.186 0.000 2.204 311 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 311 E C 1.599 178.266 176.600 0.112 0.000 0.989 311 E CA 0.973 57.466 56.400 0.155 0.000 0.824 311 E CB 0.026 29.794 29.700 0.115 0.000 0.756 311 E HN 0.511 nan 8.360 nan 0.000 0.477 312 V N 1.016 120.971 119.914 0.070 0.000 2.426 312 V HA -0.134 3.986 4.120 -0.000 0.000 0.242 312 V C 1.474 177.561 176.094 -0.012 0.000 1.036 312 V CA 1.605 63.917 62.300 0.020 0.000 1.044 312 V CB -0.170 31.650 31.823 -0.005 0.000 0.688 312 V HN 0.181 nan 8.190 nan 0.000 0.462 313 D N -1.140 119.214 120.400 -0.077 0.000 2.224 313 D HA -0.063 4.577 4.640 -0.000 0.000 0.205 313 D C 0.279 176.507 176.300 -0.120 0.000 0.965 313 D CA 0.898 54.764 54.000 -0.225 0.000 0.852 313 D CB -0.164 40.301 40.800 -0.558 0.000 0.947 313 D HN 0.441 nan 8.370 nan 0.000 0.494 314 Y N 0.185 120.537 120.300 0.088 0.000 2.367 314 Y HA 0.419 4.968 4.550 -0.000 0.000 0.342 314 Y C 1.307 177.231 175.900 0.039 0.000 0.979 314 Y CA -0.825 57.340 58.100 0.108 0.000 1.161 314 Y CB 1.369 39.897 38.460 0.113 0.000 1.155 314 Y HN -0.171 nan 8.280 nan 0.000 0.503 315 A N 2.931 125.846 122.820 0.160 0.000 1.948 315 A HA -0.202 4.117 4.320 -0.000 0.000 0.220 315 A C 0.844 178.453 177.584 0.041 0.000 1.177 315 A CA 1.452 53.528 52.037 0.065 0.000 0.636 315 A CB -0.237 18.784 19.000 0.035 0.000 0.815 315 A HN 0.762 nan 8.150 nan 0.000 0.449 316 Q N -1.301 118.558 119.800 0.097 0.000 2.907 316 Q HA 0.422 4.762 4.340 -0.000 0.000 0.262 316 Q C 0.337 176.388 176.000 0.085 0.000 0.997 316 Q CA -0.115 55.743 55.803 0.091 0.000 0.797 316 Q CB 1.267 30.103 28.738 0.164 0.000 1.228 316 Q HN 0.124 nan 8.270 nan 0.000 0.466 317 V N 1.365 121.325 119.914 0.078 0.000 2.809 317 V HA -0.159 3.960 4.120 -0.000 0.000 0.256 317 V C 0.813 176.885 176.094 -0.036 0.000 1.080 317 V CA 1.451 63.749 62.300 -0.004 0.000 1.102 317 V CB 0.085 31.966 31.823 0.096 0.000 0.705 317 V HN 0.690 nan 8.190 nan 0.000 0.475 318 N N 0.636 119.367 118.700 0.051 0.000 2.571 318 N HA -0.046 4.694 4.740 -0.000 0.000 0.189 318 N C 0.809 176.329 175.510 0.017 0.000 1.154 318 N CA 0.775 53.850 53.050 0.042 0.000 0.907 318 N CB -0.073 38.500 38.487 0.144 0.000 0.977 318 N HN 0.532 nan 8.380 nan 0.000 0.449 319 D N -0.424 119.994 120.400 0.030 0.000 2.433 319 D HA 0.054 4.694 4.640 -0.000 0.000 0.211 319 D C -0.055 176.276 176.300 0.052 0.000 1.114 319 D CA 0.122 54.193 54.000 0.119 0.000 0.837 319 D CB 0.545 41.475 40.800 0.218 0.000 0.984 319 D HN 0.078 nan 8.370 nan 0.000 0.505 320 Q N 0.722 120.436 119.800 -0.144 0.000 2.259 320 Q HA 0.292 4.632 4.340 -0.000 0.000 0.249 320 Q C -0.004 175.875 176.000 -0.201 0.000 0.914 320 Q CA -0.437 55.223 55.803 -0.238 0.000 0.904 320 Q CB 2.278 30.699 28.738 -0.528 0.000 1.213 320 Q HN -0.127 nan 8.270 nan 0.000 0.428 321 V N 3.026 122.834 119.914 -0.178 0.000 2.406 321 V HA 0.285 4.405 4.120 -0.000 0.000 0.272 321 V C 0.565 176.640 176.094 -0.032 0.000 1.043 321 V CA -0.400 61.784 62.300 -0.193 0.000 0.915 321 V CB 0.912 32.454 31.823 -0.469 0.000 0.988 321 V HN 0.907 nan 8.190 nan 0.000 0.466 322 T N 2.771 117.238 114.554 -0.146 0.000 2.944 322 T HA 0.903 5.253 4.350 -0.000 0.000 0.284 322 T C -0.672 174.103 174.700 0.124 0.000 1.010 322 T CA -0.563 61.365 62.100 -0.286 0.000 1.025 322 T CB 1.791 70.019 68.868 -1.067 0.000 1.079 322 T HN 0.730 nan 8.240 nan 0.000 0.516 323 F N -1.228 118.687 119.950 -0.059 0.000 2.799 323 F HA 0.496 5.023 4.527 -0.000 0.000 0.316 323 F C -0.046 175.852 175.800 0.164 0.000 1.155 323 F CA -1.361 56.669 58.000 0.050 0.000 0.916 323 F CB 0.654 39.672 39.000 0.029 0.000 1.294 323 F HN 0.557 nan 8.300 nan 0.000 0.447 324 I N -1.695 119.008 120.570 0.221 0.000 4.035 324 I HA 0.443 4.612 4.170 -0.000 0.000 0.321 324 I C -0.802 175.527 176.117 0.354 0.000 1.289 324 I CA 0.105 61.526 61.300 0.202 0.000 1.236 324 I CB 0.412 38.451 38.000 0.065 0.000 1.076 324 I HN 0.620 nan 8.210 nan 0.000 0.418 325 D N 0.567 121.221 120.400 0.424 0.000 2.639 325 D HA 0.437 5.077 4.640 -0.000 0.000 0.271 325 D C -0.997 175.388 176.300 0.141 0.000 1.254 325 D CA -0.682 53.529 54.000 0.351 0.000 0.810 325 D CB 0.847 41.830 40.800 0.304 0.000 1.351 325 D HN 0.255 nan 8.370 nan 0.000 0.427 326 N N -2.489 116.070 118.700 -0.235 0.000 3.378 326 N HA 0.123 4.863 4.740 -0.000 0.000 0.294 326 N C 0.786 175.691 175.510 -1.009 0.000 1.544 326 N CA -0.546 51.972 53.050 -0.886 0.000 0.872 326 N CB -0.183 37.942 38.487 -0.603 0.000 1.670 326 N HN 0.562 nan 8.380 nan 0.000 0.551 327 H N -1.800 116.727 119.070 -0.906 0.000 2.541 327 H HA 0.035 4.591 4.556 -0.000 0.000 0.289 327 H C -0.667 174.638 175.328 -0.037 0.000 1.054 327 H CA 1.119 56.967 56.048 -0.334 0.000 1.250 327 H CB -0.266 29.462 29.762 -0.055 0.000 1.369 327 H HN 0.499 nan 8.280 nan 0.000 0.578 328 D N 0.781 120.924 120.400 -0.429 0.000 2.463 328 D HA 0.190 4.829 4.640 -0.000 0.000 0.224 328 D C 0.660 177.065 176.300 0.175 0.000 1.174 328 D CA 0.056 54.028 54.000 -0.048 0.000 0.829 328 D CB 0.382 41.234 40.800 0.085 0.000 0.993 328 D HN 0.563 nan 8.370 nan 0.000 0.497 329 M N -1.816 117.855 119.600 0.118 0.000 2.644 329 M HA 0.423 4.902 4.480 -0.000 0.000 0.273 329 M C -0.824 175.548 176.300 0.120 0.000 1.253 329 M CA -0.964 54.447 55.300 0.185 0.000 0.852 329 M CB 2.069 34.834 32.600 0.276 0.000 1.708 329 M HN -0.358 nan 8.290 nan 0.000 0.471 330 E N 1.904 122.173 120.200 0.114 0.000 2.437 330 E HA 0.126 4.476 4.350 -0.000 0.000 0.263 330 E C -0.522 176.153 176.600 0.124 0.000 1.030 330 E CA -0.082 56.373 56.400 0.091 0.000 0.934 330 E CB 0.569 30.304 29.700 0.058 0.000 0.943 330 E HN 0.359 nan 8.360 nan 0.000 0.444 331 R N 1.658 122.238 120.500 0.134 0.000 2.623 331 R HA -0.052 4.288 4.340 -0.000 0.000 0.271 331 R C 0.943 177.365 176.300 0.204 0.000 1.043 331 R CA 0.146 56.362 56.100 0.194 0.000 1.083 331 R CB 0.192 30.590 30.300 0.164 0.000 0.974 331 R HN 0.624 nan 8.270 nan 0.000 0.436 332 F N 2.300 122.335 119.950 0.142 0.000 2.102 332 F HA -0.161 4.365 4.527 -0.001 0.000 0.298 332 F C 1.543 177.433 175.800 0.150 0.000 1.105 332 F CA 1.313 59.397 58.000 0.141 0.000 1.239 332 F CB -0.072 39.022 39.000 0.156 0.000 0.991 332 F HN 0.498 nan 8.300 nan 0.000 0.474 333 H N 1.281 120.590 119.070 0.399 0.000 2.886 333 H HA 0.135 4.691 4.556 -0.000 0.000 0.329 333 H C -0.164 175.244 175.328 0.134 0.000 1.044 333 H CA 0.501 56.722 56.048 0.288 0.000 1.456 333 H CB 0.614 30.551 29.762 0.291 0.000 1.464 333 H HN 0.261 nan 8.280 nan 0.000 0.573 334 T N 0.780 115.061 114.554 -0.455 0.000 2.937 334 T HA 0.172 4.522 4.350 -0.000 0.000 0.283 334 T C 1.512 175.937 174.700 -0.458 0.000 1.012 334 T CA -0.279 61.624 62.100 -0.328 0.000 0.997 334 T CB 1.252 70.004 68.868 -0.193 0.000 1.136 334 T HN 0.592 nan 8.240 nan 0.000 0.551 335 S N 1.298 116.872 115.700 -0.210 0.000 2.368 335 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 335 S C 1.446 175.993 174.600 -0.089 0.000 1.029 335 S CA 1.084 59.213 58.200 -0.119 0.000 0.988 335 S CB -0.899 62.267 63.200 -0.057 0.000 0.838 335 S HN 0.908 nan 8.310 nan 0.000 0.462 336 N N 2.204 120.851 118.700 -0.088 0.000 2.313 336 N HA 0.258 4.998 4.740 -0.000 0.000 0.207 336 N C 0.293 175.774 175.510 -0.049 0.000 1.141 336 N CA 0.188 53.208 53.050 -0.049 0.000 0.830 336 N CB -0.377 38.087 38.487 -0.039 0.000 1.008 336 N HN 0.456 nan 8.380 nan 0.000 0.481 337 G N -0.686 108.056 108.800 -0.096 0.000 2.412 337 G HA2 0.201 4.160 3.960 -0.000 0.000 0.318 337 G HA3 0.201 4.160 3.960 -0.000 0.000 0.318 337 G C -0.947 174.016 174.900 0.106 0.000 1.146 337 G CA -0.469 44.610 45.100 -0.034 0.000 0.882 337 G HN 0.120 nan 8.290 nan 0.000 0.501 338 D N 0.259 120.736 120.400 0.129 0.000 2.351 338 D HA 0.098 4.738 4.640 -0.000 0.000 0.251 338 D C 1.533 177.965 176.300 0.220 0.000 1.137 338 D CA -0.261 53.825 54.000 0.143 0.000 0.879 338 D CB 1.099 41.964 40.800 0.108 0.000 1.181 338 D HN 0.361 nan 8.370 nan 0.000 0.448 339 R N 2.439 123.027 120.500 0.146 0.000 2.159 339 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 339 R C 1.798 178.209 176.300 0.186 0.000 1.131 339 R CA 0.802 56.966 56.100 0.107 0.000 0.982 339 R CB 0.055 30.235 30.300 -0.200 0.000 0.868 339 R HN 0.236 nan 8.270 nan 0.000 0.453 340 R N 1.723 122.304 120.500 0.135 0.000 2.105 340 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 340 R C 1.540 177.933 176.300 0.155 0.000 1.135 340 R CA 1.678 57.850 56.100 0.121 0.000 0.967 340 R CB -0.175 30.180 30.300 0.093 0.000 0.861 340 R HN 0.026 nan 8.270 nan 0.000 0.442 341 K N -0.349 120.189 120.400 0.229 0.000 2.063 341 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 341 K C 1.874 178.665 176.600 0.319 0.000 1.048 341 K CA 1.625 58.110 56.287 0.330 0.000 0.928 341 K CB -0.375 32.365 32.500 0.399 0.000 0.713 341 K HN 0.128 nan 8.250 nan 0.000 0.442 342 L N 1.432 122.840 121.223 0.308 0.000 2.044 342 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 342 L C 1.633 178.444 176.870 -0.098 0.000 1.075 342 L CA 1.770 56.635 54.840 0.042 0.000 0.747 342 L CB -0.261 41.916 42.059 0.196 0.000 0.903 342 L HN 0.132 nan 8.230 nan 0.000 0.435 343 E N -0.800 119.414 120.200 0.024 0.000 2.118 343 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 343 E C 2.161 178.711 176.600 -0.083 0.000 0.992 343 E CA 1.561 57.950 56.400 -0.017 0.000 0.804 343 E CB -0.131 29.602 29.700 0.055 0.000 0.741 343 E HN 0.659 nan 8.360 nan 0.000 0.458 344 Q N 0.012 119.756 119.800 -0.094 0.000 2.049 344 Q HA -0.070 4.270 4.340 -0.000 0.000 0.198 344 Q C 2.311 178.076 176.000 -0.391 0.000 0.971 344 Q CA 1.163 56.855 55.803 -0.185 0.000 0.833 344 Q CB -0.127 28.524 28.738 -0.143 0.000 0.896 344 Q HN 0.246 nan 8.270 nan 0.000 0.434 345 A N 0.925 123.446 122.820 -0.499 0.000 1.972 345 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 345 A C 2.054 179.459 177.584 -0.297 0.000 1.169 345 A CA 0.960 52.627 52.037 -0.617 0.000 0.635 345 A CB -0.552 18.038 19.000 -0.682 0.000 0.810 345 A HN 0.261 nan 8.150 nan 0.000 0.446 346 L N -1.027 120.038 121.223 -0.263 0.000 2.027 346 L HA -0.158 4.181 4.340 -0.000 0.000 0.206 346 L C 3.110 179.926 176.870 -0.091 0.000 1.074 346 L CA 1.040 55.790 54.840 -0.150 0.000 0.745 346 L CB -0.503 41.470 42.059 -0.143 0.000 0.898 346 L HN 0.441 nan 8.230 nan 0.000 0.433 347 A N -0.328 122.437 122.820 -0.092 0.000 1.933 347 A HA -0.273 4.046 4.320 -0.000 0.000 0.218 347 A C 2.129 179.734 177.584 0.035 0.000 1.175 347 A CA 1.405 53.412 52.037 -0.049 0.000 0.628 347 A CB -0.772 18.190 19.000 -0.063 0.000 0.814 347 A HN 0.411 nan 8.150 nan 0.000 0.444 348 F N 1.543 121.407 119.950 -0.144 0.000 2.102 348 F HA -0.152 4.374 4.527 -0.000 0.000 0.298 348 F C 2.420 178.280 175.800 0.101 0.000 1.105 348 F CA 2.299 60.285 58.000 -0.024 0.000 1.239 348 F CB -0.869 37.981 39.000 -0.250 0.000 0.991 348 F HN 0.206 nan 8.300 nan 0.000 0.474 349 T N 1.411 115.940 114.554 -0.042 0.000 2.777 349 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 349 T C 2.175 176.794 174.700 -0.135 0.000 1.040 349 T CA 1.569 63.622 62.100 -0.078 0.000 1.141 349 T CB -0.527 68.363 68.868 0.037 0.000 0.868 349 T HN 0.245 nan 8.240 nan 0.000 0.444 350 L N 1.439 122.612 121.223 -0.083 0.000 2.362 350 L HA -0.037 4.302 4.340 -0.000 0.000 0.219 350 L C 2.431 179.252 176.870 -0.083 0.000 1.134 350 L CA 1.210 55.998 54.840 -0.087 0.000 0.807 350 L CB -0.663 41.352 42.059 -0.073 0.000 0.927 350 L HN 0.447 nan 8.230 nan 0.000 0.447 351 T N -6.105 108.422 114.554 -0.046 0.000 3.044 351 T HA 0.193 4.543 4.350 -0.000 0.000 0.260 351 T C 0.757 175.477 174.700 0.033 0.000 1.019 351 T CA -0.298 61.812 62.100 0.016 0.000 0.921 351 T CB 0.368 69.292 68.868 0.092 0.000 1.053 351 T HN -0.036 nan 8.240 nan 0.000 0.533 352 S N 2.581 118.207 115.700 -0.123 0.000 2.652 352 S HA 0.557 5.027 4.470 -0.000 0.000 0.270 352 S C 0.520 175.008 174.600 -0.187 0.000 1.243 352 S CA -1.028 57.051 58.200 -0.203 0.000 0.999 352 S CB 0.747 63.724 63.200 -0.371 0.000 0.973 352 S HN 0.603 nan 8.310 nan 0.000 0.544 353 R N 0.814 121.228 120.500 -0.144 0.000 2.738 353 R HA 0.587 4.927 4.340 -0.000 0.000 0.268 353 R C 0.613 176.773 176.300 -0.233 0.000 1.062 353 R CA 0.414 56.434 56.100 -0.134 0.000 1.158 353 R CB -1.306 28.965 30.300 -0.048 0.000 1.046 353 R HN 0.923 nan 8.270 nan 0.000 0.493 354 G N -0.184 108.496 108.800 -0.200 0.000 2.378 354 G HA2 -0.108 3.851 3.960 -0.000 0.000 0.198 354 G HA3 -0.108 3.851 3.960 -0.000 0.000 0.198 354 G C -1.554 173.209 174.900 -0.227 0.000 1.223 354 G CA -0.350 44.610 45.100 -0.234 0.000 1.088 354 G HN 0.700 nan 8.290 nan 0.000 0.530 355 V N 2.712 122.487 119.914 -0.232 0.000 2.357 355 V HA 0.536 4.656 4.120 -0.000 0.000 0.281 355 V C -2.034 173.958 176.094 -0.169 0.000 1.015 355 V CA -0.925 61.256 62.300 -0.197 0.000 0.827 355 V CB 1.775 33.471 31.823 -0.211 0.000 1.018 355 V HN 0.702 nan 8.190 nan 0.000 0.432 356 P HA 0.383 nan 4.420 nan 0.000 0.276 356 P C -0.638 176.681 177.300 0.032 0.000 1.230 356 P CA 0.085 63.132 63.100 -0.089 0.000 0.776 356 P CB 1.649 33.289 31.700 -0.100 0.000 0.888 357 A N 4.459 127.352 122.820 0.122 0.000 2.342 357 A HA 0.715 5.035 4.320 -0.000 0.000 0.323 357 A C -0.387 177.331 177.584 0.223 0.000 1.125 357 A CA -0.903 51.278 52.037 0.239 0.000 0.785 357 A CB 0.782 20.017 19.000 0.392 0.000 1.221 357 A HN 0.477 nan 8.150 nan 0.000 0.463 358 I N 2.262 122.954 120.570 0.203 0.000 2.389 358 I HA 0.195 4.365 4.170 -0.000 0.000 0.288 358 I C -0.932 175.232 176.117 0.078 0.000 0.999 358 I CA -0.688 60.705 61.300 0.156 0.000 1.129 358 I CB 1.381 39.489 38.000 0.180 0.000 1.288 358 I HN 0.701 nan 8.210 nan 0.000 0.444 359 Y N 8.489 128.742 120.300 -0.079 0.000 2.465 359 Y HA 0.066 4.615 4.550 -0.000 0.000 0.331 359 Y C 0.134 175.844 175.900 -0.317 0.000 1.102 359 Y CA -1.009 56.985 58.100 -0.176 0.000 1.358 359 Y CB 0.061 38.460 38.460 -0.101 0.000 1.213 359 Y HN 0.452 nan 8.280 nan 0.000 0.525 360 Y N 3.688 123.553 120.300 -0.724 0.000 2.903 360 Y HA 0.288 4.837 4.550 -0.000 0.000 0.338 360 Y C 1.151 176.858 175.900 -0.321 0.000 1.265 360 Y CA -0.380 57.339 58.100 -0.634 0.000 1.532 360 Y CB -0.134 38.081 38.460 -0.409 0.000 1.293 360 Y HN 0.906 nan 8.280 nan 0.000 0.609 361 G N 1.422 110.127 108.800 -0.159 0.000 2.225 361 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.254 361 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.254 361 G C 1.197 175.982 174.900 -0.192 0.000 0.988 361 G CA 0.547 45.505 45.100 -0.237 0.000 0.625 361 G HN 0.809 nan 8.290 nan 0.000 0.527 362 S N 1.186 116.788 115.700 -0.164 0.000 2.365 362 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 362 S C 2.061 176.528 174.600 -0.223 0.000 1.039 362 S CA 1.842 59.967 58.200 -0.125 0.000 1.033 362 S CB -0.271 62.897 63.200 -0.054 0.000 0.887 362 S HN 0.889 nan 8.310 nan 0.000 0.447 363 E N 0.785 120.910 120.200 -0.124 0.000 2.515 363 E HA -0.134 4.215 4.350 -0.000 0.000 0.201 363 E C 0.552 177.017 176.600 -0.226 0.000 1.071 363 E CA 0.747 57.044 56.400 -0.171 0.000 0.880 363 E CB -0.159 29.571 29.700 0.051 0.000 0.828 363 E HN 0.426 nan 8.360 nan 0.000 0.540 364 Q N -0.260 119.423 119.800 -0.195 0.000 2.135 364 Q HA 0.086 4.426 4.340 -0.000 0.000 0.222 364 Q C -0.670 175.341 176.000 0.018 0.000 0.808 364 Q CA -0.530 55.242 55.803 -0.052 0.000 1.049 364 Q CB -0.142 28.588 28.738 -0.014 0.000 1.168 364 Q HN 0.314 nan 8.270 nan 0.000 0.483 365 Y N -0.672 119.588 120.300 -0.066 0.000 3.305 365 Y HA -0.287 4.263 4.550 -0.001 0.000 0.212 365 Y C 0.371 176.278 175.900 0.011 0.000 1.248 365 Y CA 0.257 58.270 58.100 -0.145 0.000 1.359 365 Y CB -2.399 35.847 38.460 -0.357 0.000 1.407 365 Y HN 0.229 nan 8.280 nan 0.000 0.572 366 M N 0.765 120.419 119.600 0.089 0.000 2.239 366 M HA 0.203 4.683 4.480 -0.000 0.000 0.348 366 M C 0.771 177.171 176.300 0.165 0.000 1.239 366 M CA 0.712 56.056 55.300 0.074 0.000 1.114 366 M CB 0.589 33.141 32.600 -0.081 0.000 1.641 366 M HN 0.413 nan 8.290 nan 0.000 0.453 367 S N 1.292 117.080 115.700 0.147 0.000 2.766 367 S HA 1.015 5.485 4.470 -0.000 0.000 0.307 367 S C -0.112 174.521 174.600 0.055 0.000 1.121 367 S CA -0.510 57.756 58.200 0.111 0.000 0.980 367 S CB 2.073 65.315 63.200 0.071 0.000 1.159 367 S HN 1.075 nan 8.310 nan 0.000 0.546 368 G N -1.215 107.610 108.800 0.042 0.000 2.318 368 G HA2 0.474 4.434 3.960 -0.000 0.000 0.302 368 G HA3 0.474 4.434 3.960 -0.000 0.000 0.302 368 G C -0.194 174.729 174.900 0.038 0.000 1.633 368 G CA -0.419 44.700 45.100 0.031 0.000 0.965 368 G HN 0.999 nan 8.290 nan 0.000 0.698 369 G N 0.284 109.100 108.800 0.027 0.000 2.580 369 G HA2 0.451 4.411 3.960 -0.000 0.000 0.225 369 G HA3 0.451 4.411 3.960 -0.000 0.000 0.225 369 G C 0.506 175.430 174.900 0.041 0.000 1.521 369 G CA -0.331 44.786 45.100 0.029 0.000 1.068 369 G HN 0.731 nan 8.290 nan 0.000 0.564 370 N N 0.341 119.061 118.700 0.032 0.000 2.288 370 N HA 0.062 4.801 4.740 -0.000 0.000 0.237 370 N C -0.022 175.508 175.510 0.033 0.000 1.311 370 N CA -0.286 52.784 53.050 0.033 0.000 0.909 370 N CB 0.301 38.797 38.487 0.015 0.000 1.167 370 N HN 0.456 nan 8.380 nan 0.000 0.476 371 D N 0.546 120.968 120.400 0.036 0.000 2.586 371 D HA -0.050 4.589 4.640 -0.000 0.000 0.234 371 D C -1.545 174.783 176.300 0.047 0.000 1.132 371 D CA -0.586 53.449 54.000 0.057 0.000 0.860 371 D CB 0.555 41.390 40.800 0.058 0.000 1.159 371 D HN 0.309 nan 8.370 nan 0.000 0.490 372 P HA 0.104 nan 4.420 nan 0.000 0.262 372 P C 0.088 177.410 177.300 0.037 0.000 1.304 372 P CA -0.104 63.044 63.100 0.081 0.000 0.859 372 P CB 0.515 32.271 31.700 0.093 0.000 1.310 373 D N 1.576 121.993 120.400 0.029 0.000 2.218 373 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 373 D C 1.267 177.583 176.300 0.026 0.000 0.976 373 D CA 1.050 55.061 54.000 0.018 0.000 0.853 373 D CB -0.342 40.469 40.800 0.018 0.000 0.939 373 D HN 0.383 nan 8.370 nan 0.000 0.481 374 N N 0.329 119.060 118.700 0.051 0.000 2.461 374 N HA -0.067 4.673 4.740 -0.000 0.000 0.188 374 N C 0.451 176.008 175.510 0.078 0.000 1.134 374 N CA 0.121 53.224 53.050 0.088 0.000 0.878 374 N CB -0.139 38.434 38.487 0.144 0.000 0.972 374 N HN 0.055 nan 8.380 nan 0.000 0.456 375 R N 0.107 120.622 120.500 0.026 0.000 2.767 375 R HA 0.458 4.798 4.340 -0.000 0.000 0.377 375 R C -0.125 176.201 176.300 0.044 0.000 1.151 375 R CA -0.322 55.786 56.100 0.013 0.000 1.046 375 R CB 0.739 30.974 30.300 -0.109 0.000 1.404 375 R HN 0.146 nan 8.270 nan 0.000 0.580 376 A N 1.355 124.187 122.820 0.019 0.000 2.386 376 A HA 0.154 4.473 4.320 -0.000 0.000 0.246 376 A C 0.179 177.809 177.584 0.076 0.000 1.089 376 A CA -0.316 51.725 52.037 0.007 0.000 0.790 376 A CB 0.266 19.254 19.000 -0.019 0.000 1.042 376 A HN 0.460 nan 8.150 nan 0.000 0.497 377 R N 1.010 121.532 120.500 0.035 0.000 2.543 377 R HA 0.294 4.634 4.340 -0.000 0.000 0.277 377 R C -0.060 176.265 176.300 0.042 0.000 1.074 377 R CA -0.321 55.818 56.100 0.064 0.000 1.076 377 R CB 0.026 30.328 30.300 0.004 0.000 0.993 377 R HN 0.753 nan 8.270 nan 0.000 0.459 378 L N 5.018 126.282 121.223 0.068 0.000 2.416 378 L HA 0.338 4.678 4.340 -0.000 0.000 0.272 378 L C -1.720 175.008 176.870 -0.237 0.000 1.161 378 L CA -1.202 53.586 54.840 -0.087 0.000 0.845 378 L CB 0.992 43.006 42.059 -0.076 0.000 1.119 378 L HN 0.604 nan 8.230 nan 0.000 0.464 379 P HA 0.014 nan 4.420 nan 0.000 0.227 379 P C 0.220 177.408 177.300 -0.186 0.000 1.161 379 P CA 0.410 63.422 63.100 -0.147 0.000 0.788 379 P CB 0.473 32.126 31.700 -0.077 0.000 0.822 380 S N -1.525 113.987 115.700 -0.315 0.000 2.567 380 S HA 0.530 5.000 4.470 -0.000 0.000 0.270 380 S C -1.644 172.670 174.600 -0.476 0.000 1.152 380 S CA -0.590 57.461 58.200 -0.247 0.000 0.835 380 S CB 0.210 63.361 63.200 -0.081 0.000 1.115 380 S HN -0.165 nan 8.310 nan 0.000 0.459 381 F N 2.332 122.192 119.950 -0.150 0.000 2.879 381 F HA 0.386 4.913 4.527 -0.000 0.000 0.354 381 F C 0.956 176.773 175.800 0.028 0.000 1.291 381 F CA -0.394 57.447 58.000 -0.265 0.000 1.238 381 F CB 0.944 39.606 39.000 -0.563 0.000 1.005 381 F HN 0.495 nan 8.300 nan 0.000 0.508 382 S N 0.469 116.266 115.700 0.161 0.000 2.533 382 S HA 0.084 4.554 4.470 -0.000 0.000 0.282 382 S C 1.328 175.912 174.600 -0.027 0.000 1.304 382 S CA 0.168 58.412 58.200 0.073 0.000 1.063 382 S CB 0.527 63.755 63.200 0.045 0.000 0.881 382 S HN 0.503 nan 8.310 nan 0.000 0.493 383 T N 0.598 114.996 114.554 -0.260 0.000 3.122 383 T HA 0.108 4.458 4.350 -0.000 0.000 0.250 383 T C 1.116 175.465 174.700 -0.585 0.000 1.067 383 T CA 0.377 61.923 62.100 -0.924 0.000 0.966 383 T CB -0.399 68.002 68.868 -0.779 0.000 1.002 383 T HN 0.703 nan 8.240 nan 0.000 0.542 384 T N -0.354 114.073 114.554 -0.210 0.000 3.129 384 T HA 0.210 4.559 4.350 -0.000 0.000 0.267 384 T C 0.857 175.570 174.700 0.023 0.000 1.018 384 T CA -0.085 61.971 62.100 -0.073 0.000 0.903 384 T CB -0.366 68.477 68.868 -0.042 0.000 1.067 384 T HN 0.524 nan 8.240 nan 0.000 0.549 385 T N -0.423 114.174 114.554 0.072 0.000 2.898 385 T HA 0.219 4.568 4.350 -0.000 0.000 0.301 385 T C 1.436 176.241 174.700 0.174 0.000 1.049 385 T CA -0.116 62.083 62.100 0.165 0.000 1.095 385 T CB 0.995 70.004 68.868 0.236 0.000 0.976 385 T HN 0.061 nan 8.240 nan 0.000 0.539 386 T N 2.156 116.828 114.554 0.196 0.000 2.665 386 T HA -0.126 4.223 4.350 -0.000 0.000 0.268 386 T C 2.399 177.172 174.700 0.121 0.000 1.035 386 T CA 1.650 63.842 62.100 0.152 0.000 1.151 386 T CB -0.890 68.074 68.868 0.161 0.000 0.862 386 T HN 0.841 nan 8.240 nan 0.000 0.438 387 A N 0.373 123.252 122.820 0.099 0.000 1.908 387 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 387 A C 2.085 179.654 177.584 -0.025 0.000 1.181 387 A CA 1.747 53.746 52.037 -0.063 0.000 0.627 387 A CB -1.122 17.654 19.000 -0.373 0.000 0.818 387 A HN 0.638 nan 8.150 nan 0.000 0.445 388 Y N 0.451 120.700 120.300 -0.085 0.000 2.165 388 Y HA -0.280 4.270 4.550 -0.000 0.000 0.286 388 Y C 2.598 178.455 175.900 -0.071 0.000 1.155 388 Y CA 2.372 60.422 58.100 -0.083 0.000 1.164 388 Y CB -0.232 38.191 38.460 -0.062 0.000 0.978 388 Y HN 0.440 nan 8.280 nan 0.000 0.513 389 Q N -0.930 118.980 119.800 0.183 0.000 2.124 389 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 389 Q C 2.301 178.300 176.000 -0.002 0.000 0.977 389 Q CA 1.741 57.603 55.803 0.099 0.000 0.850 389 Q CB -0.216 28.579 28.738 0.095 0.000 0.901 389 Q HN 0.385 nan 8.270 nan 0.000 0.429 390 V N 1.026 120.928 119.914 -0.021 0.000 2.261 390 V HA -0.278 3.841 4.120 -0.000 0.000 0.246 390 V C 2.114 178.154 176.094 -0.090 0.000 1.047 390 V CA 1.729 63.998 62.300 -0.052 0.000 1.015 390 V CB -0.431 31.362 31.823 -0.051 0.000 0.642 390 V HN 0.344 nan 8.190 nan 0.000 0.446 391 I N -0.226 120.266 120.570 -0.131 0.000 2.226 391 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 391 I C 2.671 178.676 176.117 -0.186 0.000 1.100 391 I CA 1.897 63.096 61.300 -0.168 0.000 1.374 391 I CB -0.455 37.409 38.000 -0.226 0.000 1.057 391 I HN 0.400 nan 8.210 nan 0.000 0.413 392 Q N 1.551 121.220 119.800 -0.218 0.000 2.135 392 Q HA -0.255 4.084 4.340 -0.000 0.000 0.204 392 Q C 2.047 177.988 176.000 -0.098 0.000 0.981 392 Q CA 1.738 57.435 55.803 -0.176 0.000 0.856 392 Q CB 0.079 28.746 28.738 -0.119 0.000 0.902 392 Q HN 0.468 nan 8.270 nan 0.000 0.425 393 K N -0.299 120.056 120.400 -0.075 0.000 2.116 393 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 393 K C 2.039 178.597 176.600 -0.069 0.000 1.052 393 K CA 0.801 57.053 56.287 -0.058 0.000 0.952 393 K CB 0.209 32.681 32.500 -0.047 0.000 0.729 393 K HN 0.237 nan 8.250 nan 0.000 0.446 394 L N -0.125 121.049 121.223 -0.082 0.000 2.253 394 L HA 0.091 4.431 4.340 -0.000 0.000 0.205 394 L C 2.456 179.273 176.870 -0.090 0.000 1.078 394 L CA 0.389 55.179 54.840 -0.083 0.000 0.805 394 L CB -0.352 41.658 42.059 -0.082 0.000 0.963 394 L HN 0.113 nan 8.230 nan 0.000 0.459 395 A N 1.057 123.817 122.820 -0.100 0.000 1.940 395 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 395 A C -0.179 177.344 177.584 -0.102 0.000 1.176 395 A CA 1.491 53.466 52.037 -0.104 0.000 0.631 395 A CB -1.721 17.211 19.000 -0.113 0.000 0.814 395 A HN 0.259 nan 8.150 nan 0.000 0.446 396 P HA -0.151 nan 4.420 nan 0.000 0.218 396 P C 1.090 178.336 177.300 -0.090 0.000 1.146 396 P CA 0.864 63.913 63.100 -0.086 0.000 0.813 396 P CB -0.161 31.497 31.700 -0.070 0.000 0.778 397 L N -1.604 119.565 121.223 -0.089 0.000 2.478 397 L HA -0.020 4.320 4.340 -0.000 0.000 0.223 397 L C 2.454 179.252 176.870 -0.120 0.000 1.140 397 L CA 0.673 55.459 54.840 -0.089 0.000 0.842 397 L CB -0.507 41.508 42.059 -0.074 0.000 0.953 397 L HN -0.064 nan 8.230 nan 0.000 0.452 398 R N 0.277 120.692 120.500 -0.142 0.000 2.115 398 R HA -0.060 4.280 4.340 -0.000 0.000 0.226 398 R C 1.983 178.155 176.300 -0.213 0.000 1.100 398 R CA 0.760 56.742 56.100 -0.196 0.000 0.980 398 R CB -0.014 30.171 30.300 -0.192 0.000 0.875 398 R HN 0.288 nan 8.270 nan 0.000 0.445 399 K N 0.136 120.439 120.400 -0.162 0.000 2.128 399 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 399 K C 2.058 178.584 176.600 -0.123 0.000 1.050 399 K CA 1.361 57.559 56.287 -0.149 0.000 0.966 399 K CB -0.026 32.401 32.500 -0.121 0.000 0.759 399 K HN 0.152 nan 8.250 nan 0.000 0.454 400 S N 0.392 116.030 115.700 -0.103 0.000 2.478 400 S HA 0.040 4.510 4.470 -0.000 0.000 0.222 400 S C 0.796 175.351 174.600 -0.076 0.000 1.008 400 S CA -0.024 58.128 58.200 -0.080 0.000 0.928 400 S CB -0.052 63.109 63.200 -0.065 0.000 0.781 400 S HN 0.045 nan 8.310 nan 0.000 0.518 401 N N 2.476 121.121 118.700 -0.091 0.000 2.564 401 N HA 0.365 5.104 4.740 -0.000 0.000 0.248 401 N C -2.204 173.242 175.510 -0.106 0.000 0.986 401 N CA -2.255 50.753 53.050 -0.070 0.000 0.921 401 N CB 1.948 40.403 38.487 -0.053 0.000 1.136 401 N HN 0.020 nan 8.380 nan 0.000 0.509 402 P HA -0.088 nan 4.420 nan 0.000 0.222 402 P C 0.860 178.072 177.300 -0.147 0.000 1.147 402 P CA 0.651 63.670 63.100 -0.134 0.000 0.790 402 P CB 0.435 32.199 31.700 0.106 0.000 0.780 403 A N 0.167 123.014 122.820 0.044 0.000 1.930 403 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 403 A C 2.304 179.881 177.584 -0.011 0.000 1.175 403 A CA 1.115 53.219 52.037 0.111 0.000 0.627 403 A CB -1.407 17.687 19.000 0.158 0.000 0.815 403 A HN 0.127 nan 8.150 nan 0.000 0.443 404 I N -0.362 120.166 120.570 -0.071 0.000 2.252 404 I HA -0.218 3.951 4.170 -0.000 0.000 0.245 404 I C 2.915 178.894 176.117 -0.229 0.000 1.102 404 I CA 0.970 62.208 61.300 -0.103 0.000 1.385 404 I CB -0.218 37.722 38.000 -0.098 0.000 1.064 404 I HN 0.337 nan 8.210 nan 0.000 0.414 405 A N -0.051 122.518 122.820 -0.418 0.000 1.930 405 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 405 A C 1.762 178.909 177.584 -0.728 0.000 1.175 405 A CA 1.627 53.235 52.037 -0.716 0.000 0.627 405 A CB -0.572 17.697 19.000 -1.219 0.000 0.815 405 A HN 0.561 nan 8.150 nan 0.000 0.443 406 Y N -1.397 118.677 120.300 -0.376 0.000 2.499 406 Y HA 0.337 4.886 4.550 -0.001 0.000 0.253 406 Y C 1.571 177.357 175.900 -0.189 0.000 1.105 406 Y CA -0.570 57.285 58.100 -0.408 0.000 1.240 406 Y CB 0.103 38.025 38.460 -0.897 0.000 1.289 406 Y HN 0.300 nan 8.280 nan 0.000 0.534 407 G N 1.193 110.024 108.800 0.052 0.000 2.569 407 G HA2 0.305 4.265 3.960 -0.000 0.000 0.249 407 G HA3 0.305 4.265 3.960 -0.000 0.000 0.249 407 G C 0.196 175.213 174.900 0.196 0.000 1.216 407 G CA -0.238 45.002 45.100 0.234 0.000 0.845 407 G HN 0.217 nan 8.290 nan 0.000 0.568 408 S N -0.454 115.379 115.700 0.222 0.000 2.589 408 S HA 0.479 4.948 4.470 -0.000 0.000 0.265 408 S C 0.137 174.848 174.600 0.185 0.000 1.342 408 S CA -0.338 57.967 58.200 0.174 0.000 1.005 408 S CB 1.240 64.531 63.200 0.153 0.000 0.909 408 S HN 0.563 nan 8.310 nan 0.000 0.555 409 T N 1.281 115.941 114.554 0.176 0.000 2.807 409 T HA 0.435 4.784 4.350 -0.000 0.000 0.279 409 T C -0.809 174.055 174.700 0.274 0.000 0.993 409 T CA -0.418 61.807 62.100 0.209 0.000 0.970 409 T CB 0.647 69.584 68.868 0.115 0.000 0.950 409 T HN 0.812 nan 8.240 nan 0.000 0.441 410 H N 2.035 121.220 119.070 0.193 0.000 2.840 410 H HA 0.288 4.843 4.556 -0.001 0.000 0.340 410 H C -0.760 174.694 175.328 0.210 0.000 1.004 410 H CA -0.638 55.511 56.048 0.168 0.000 1.288 410 H CB 1.252 31.104 29.762 0.149 0.000 1.607 410 H HN 0.514 nan 8.280 nan 0.000 0.522 411 E N 4.719 125.073 120.200 0.256 0.000 2.290 411 E HA 0.032 4.381 4.350 -0.000 0.000 0.277 411 E C 0.018 176.616 176.600 -0.003 0.000 1.035 411 E CA -0.270 56.223 56.400 0.155 0.000 0.873 411 E CB 0.698 30.484 29.700 0.143 0.000 1.029 411 E HN 0.708 nan 8.360 nan 0.000 0.419 412 R N 3.332 123.832 120.500 -0.001 0.000 2.195 412 R HA 0.127 4.466 4.340 -0.000 0.000 0.197 412 R C -0.105 176.293 176.300 0.164 0.000 0.990 412 R CA 0.366 56.460 56.100 -0.011 0.000 1.048 412 R CB 0.242 30.545 30.300 0.005 0.000 0.997 412 R HN 0.587 nan 8.270 nan 0.000 0.502 413 W N -0.235 121.067 121.300 0.003 0.000 3.296 413 W HA 0.601 5.261 4.660 -0.000 0.000 0.314 413 W C -1.647 174.862 176.519 -0.017 0.000 1.238 413 W CA -0.675 56.669 57.345 -0.001 0.000 1.193 413 W CB 1.320 30.780 29.460 0.000 0.000 1.383 413 W HN -0.155 nan 8.180 nan 0.000 0.545 414 I N 5.789 126.133 120.570 -0.376 0.000 2.828 414 I HA 0.403 4.573 4.170 -0.000 0.000 0.295 414 I C -1.562 174.217 176.117 -0.563 0.000 1.459 414 I CA -0.472 60.644 61.300 -0.306 0.000 1.015 414 I CB 1.465 39.255 38.000 -0.351 0.000 1.345 414 I HN 0.624 nan 8.210 nan 0.000 0.449 415 N N 3.978 122.487 118.700 -0.318 0.000 3.316 415 N HA 0.315 5.055 4.740 -0.000 0.000 0.300 415 N C -0.343 175.054 175.510 -0.188 0.000 1.567 415 N CA -0.668 52.254 53.050 -0.214 0.000 0.821 415 N CB 0.419 38.878 38.487 -0.046 0.000 1.748 415 N HN 0.682 nan 8.380 nan 0.000 0.603 416 N N -0.806 117.886 118.700 -0.014 0.000 2.132 416 N HA -0.159 4.581 4.740 -0.000 0.000 0.191 416 N C -0.414 175.065 175.510 -0.051 0.000 1.015 416 N CA 1.660 54.709 53.050 -0.002 0.000 0.864 416 N CB -0.084 38.434 38.487 0.050 0.000 1.006 416 N HN 0.501 nan 8.380 nan 0.000 0.430 417 D N -0.415 119.976 120.400 -0.014 0.000 2.474 417 D HA 0.148 4.788 4.640 -0.000 0.000 0.213 417 D C -0.342 175.972 176.300 0.023 0.000 1.120 417 D CA 0.184 54.178 54.000 -0.010 0.000 0.836 417 D CB 1.091 41.903 40.800 0.020 0.000 1.019 417 D HN -0.071 nan 8.370 nan 0.000 0.507 418 V N 1.801 121.756 119.914 0.068 0.000 2.604 418 V HA 0.478 4.598 4.120 -0.000 0.000 0.305 418 V C -0.313 175.860 176.094 0.132 0.000 1.043 418 V CA -0.897 61.487 62.300 0.141 0.000 0.888 418 V CB 2.933 34.908 31.823 0.254 0.000 0.995 418 V HN -0.058 nan 8.190 nan 0.000 0.429 419 I N 4.921 125.581 120.570 0.150 0.000 2.582 419 I HA 0.601 4.771 4.170 -0.000 0.000 0.292 419 I C -1.325 174.941 176.117 0.247 0.000 1.066 419 I CA -0.676 60.732 61.300 0.180 0.000 1.053 419 I CB 1.732 39.826 38.000 0.157 0.000 1.241 419 I HN 0.546 nan 8.210 nan 0.000 0.421 420 I N 8.166 128.901 120.570 0.275 0.000 2.418 420 I HA 0.348 4.518 4.170 -0.000 0.000 0.287 420 I C -1.267 174.975 176.117 0.208 0.000 1.008 420 I CA -0.692 60.726 61.300 0.197 0.000 1.104 420 I CB 1.516 39.670 38.000 0.257 0.000 1.264 420 I HN 0.488 nan 8.210 nan 0.000 0.438 421 Y N 3.065 123.460 120.300 0.159 0.000 2.602 421 Y HA 0.754 5.304 4.550 -0.001 0.000 0.342 421 Y C -0.755 175.218 175.900 0.122 0.000 1.029 421 Y CA -1.241 56.937 58.100 0.130 0.000 1.080 421 Y CB 1.208 39.769 38.460 0.169 0.000 1.284 421 Y HN 0.483 nan 8.280 nan 0.000 0.485 422 E N 1.702 122.071 120.200 0.283 0.000 2.238 422 E HA 0.513 4.863 4.350 -0.000 0.000 0.267 422 E C -1.212 175.573 176.600 0.309 0.000 0.887 422 E CA -1.172 55.355 56.400 0.213 0.000 0.769 422 E CB 1.156 30.936 29.700 0.134 0.000 1.187 422 E HN 0.607 nan 8.360 nan 0.000 0.416 423 R N 3.060 123.710 120.500 0.250 0.000 2.562 423 R HA 0.477 4.817 4.340 -0.000 0.000 0.298 423 R C -0.785 175.641 176.300 0.209 0.000 0.961 423 R CA -0.859 55.383 56.100 0.236 0.000 0.881 423 R CB 1.629 32.046 30.300 0.194 0.000 1.159 423 R HN 0.347 nan 8.270 nan 0.000 0.450 424 K N 2.635 123.173 120.400 0.229 0.000 2.535 424 K HA 0.414 4.734 4.320 -0.000 0.000 0.250 424 K C -1.730 175.051 176.600 0.303 0.000 0.948 424 K CA -0.662 55.761 56.287 0.228 0.000 0.796 424 K CB 1.609 34.230 32.500 0.201 0.000 1.216 424 K HN 0.482 nan 8.250 nan 0.000 0.432 425 F N 2.824 122.830 119.950 0.095 0.000 2.941 425 F HA 0.359 4.885 4.527 -0.000 0.000 0.359 425 F C 0.571 176.409 175.800 0.063 0.000 1.231 425 F CA 0.573 58.625 58.000 0.087 0.000 1.089 425 F CB 0.776 39.843 39.000 0.113 0.000 1.407 425 F HN 0.823 nan 8.300 nan 0.000 0.538 426 G N 5.130 113.741 108.800 -0.315 0.000 2.601 426 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.306 426 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.306 426 G C 0.791 175.669 174.900 -0.036 0.000 1.172 426 G CA 0.624 45.582 45.100 -0.236 0.000 0.966 426 G HN 0.574 nan 8.290 nan 0.000 0.542 427 N N 2.354 121.061 118.700 0.013 0.000 2.236 427 N HA 0.095 4.835 4.740 -0.000 0.000 0.196 427 N C 0.197 175.810 175.510 0.171 0.000 1.114 427 N CA 0.101 53.214 53.050 0.106 0.000 0.859 427 N CB 0.001 38.561 38.487 0.121 0.000 0.982 427 N HN 0.500 nan 8.380 nan 0.000 0.493 428 N N 0.828 119.612 118.700 0.140 0.000 2.499 428 N HA 0.232 4.972 4.740 -0.000 0.000 0.281 428 N C -0.499 175.116 175.510 0.174 0.000 1.098 428 N CA 0.041 53.173 53.050 0.136 0.000 0.979 428 N CB 2.325 40.901 38.487 0.148 0.000 1.121 428 N HN -0.240 nan 8.380 nan 0.000 0.466 429 V N 0.375 120.389 119.914 0.167 0.000 2.876 429 V HA 0.791 4.911 4.120 -0.000 0.000 0.312 429 V C -0.566 175.589 176.094 0.101 0.000 1.085 429 V CA -0.896 61.491 62.300 0.144 0.000 0.945 429 V CB 1.903 33.805 31.823 0.132 0.000 1.017 429 V HN 0.806 nan 8.190 nan 0.000 0.428 430 A N 2.888 125.762 122.820 0.091 0.000 2.422 430 A HA 0.909 5.228 4.320 -0.000 0.000 0.302 430 A C -1.437 176.180 177.584 0.056 0.000 1.041 430 A CA -0.537 51.536 52.037 0.060 0.000 0.708 430 A CB 1.993 21.020 19.000 0.046 0.000 1.257 430 A HN 0.708 nan 8.150 nan 0.000 0.414 431 V N 2.146 122.087 119.914 0.046 0.000 2.540 431 V HA 0.624 4.744 4.120 -0.000 0.000 0.302 431 V C -0.627 175.415 176.094 -0.087 0.000 1.035 431 V CA -0.525 61.801 62.300 0.044 0.000 0.873 431 V CB 1.801 33.743 31.823 0.199 0.000 0.992 431 V HN 0.731 nan 8.190 nan 0.000 0.428 432 V N 3.312 123.016 119.914 -0.350 0.000 2.531 432 V HA 0.842 4.962 4.120 -0.000 0.000 0.301 432 V C 0.095 175.951 176.094 -0.398 0.000 1.034 432 V CA -0.581 61.413 62.300 -0.509 0.000 0.865 432 V CB 1.809 33.197 31.823 -0.725 0.000 0.995 432 V HN 1.000 nan 8.190 nan 0.000 0.424 433 A N 6.086 128.725 122.820 -0.302 0.000 2.318 433 A HA 0.948 5.267 4.320 -0.000 0.000 0.324 433 A C -0.843 176.710 177.584 -0.052 0.000 1.170 433 A CA -0.485 51.512 52.037 -0.067 0.000 0.810 433 A CB 0.753 19.803 19.000 0.084 0.000 1.198 433 A HN 0.782 nan 8.150 nan 0.000 0.484 434 I N 2.228 122.831 120.570 0.054 0.000 2.499 434 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 434 I C -0.688 175.496 176.117 0.111 0.000 1.048 434 I CA -0.687 60.664 61.300 0.086 0.000 1.062 434 I CB 2.308 40.409 38.000 0.168 0.000 1.238 434 I HN 0.632 nan 8.210 nan 0.000 0.426 435 N N 5.440 124.196 118.700 0.092 0.000 2.546 435 N HA 0.235 4.975 4.740 -0.000 0.000 0.238 435 N C 0.808 176.380 175.510 0.103 0.000 0.984 435 N CA -0.671 52.431 53.050 0.087 0.000 0.935 435 N CB 0.889 39.415 38.487 0.064 0.000 1.122 435 N HN 0.621 nan 8.380 nan 0.000 0.510 436 R N 2.135 122.704 120.500 0.115 0.000 2.276 436 R HA 0.070 4.409 4.340 -0.000 0.000 0.203 436 R C 0.074 176.427 176.300 0.088 0.000 1.017 436 R CA 0.137 56.318 56.100 0.136 0.000 1.010 436 R CB -0.059 30.308 30.300 0.111 0.000 0.900 436 R HN 0.255 nan 8.270 nan 0.000 0.469 437 N N 1.237 119.974 118.700 0.063 0.000 2.430 437 N HA 0.018 4.758 4.740 -0.000 0.000 0.265 437 N C 0.441 175.982 175.510 0.052 0.000 1.100 437 N CA -0.070 53.010 53.050 0.049 0.000 0.961 437 N CB 1.009 39.519 38.487 0.040 0.000 1.075 437 N HN 0.143 nan 8.380 nan 0.000 0.478 438 M N 2.438 122.069 119.600 0.051 0.000 2.558 438 M HA -0.024 4.456 4.480 -0.000 0.000 0.255 438 M C 0.933 177.256 176.300 0.039 0.000 1.113 438 M CA 0.712 56.042 55.300 0.050 0.000 1.097 438 M CB -0.634 31.998 32.600 0.053 0.000 1.426 438 M HN 0.674 nan 8.290 nan 0.000 0.488 439 N N -1.343 117.377 118.700 0.034 0.000 2.168 439 N HA 0.028 4.767 4.740 -0.000 0.000 0.216 439 N C -0.483 175.043 175.510 0.026 0.000 1.259 439 N CA -0.062 53.005 53.050 0.028 0.000 0.902 439 N CB 0.677 39.178 38.487 0.024 0.000 1.079 439 N HN -0.033 nan 8.380 nan 0.000 0.507 440 T N 3.338 117.909 114.554 0.028 0.000 2.772 440 T HA 0.390 4.739 4.350 -0.000 0.000 0.288 440 T C -2.721 171.995 174.700 0.027 0.000 0.994 440 T CA -1.257 60.858 62.100 0.026 0.000 0.951 440 T CB 1.965 70.850 68.868 0.027 0.000 0.933 440 T HN -0.004 nan 8.240 nan 0.000 0.447 441 P HA 0.241 nan 4.420 nan 0.000 0.267 441 P C -1.073 176.228 177.300 0.003 0.000 1.195 441 P CA -0.273 62.836 63.100 0.015 0.000 0.773 441 P CB 0.378 32.085 31.700 0.012 0.000 0.837 442 A N 1.726 124.531 122.820 -0.025 0.000 2.318 442 A HA 0.511 4.831 4.320 -0.000 0.000 0.317 442 A C 0.014 177.500 177.584 -0.165 0.000 1.159 442 A CA -0.458 51.541 52.037 -0.062 0.000 0.799 442 A CB 0.710 19.666 19.000 -0.075 0.000 1.194 442 A HN 0.412 nan 8.150 nan 0.000 0.479 443 S N 3.184 118.794 115.700 -0.151 0.000 2.465 443 S HA 0.501 4.970 4.470 -0.000 0.000 0.279 443 S C -0.157 174.173 174.600 -0.451 0.000 1.201 443 S CA -0.529 57.533 58.200 -0.230 0.000 1.053 443 S CB -0.262 62.880 63.200 -0.097 0.000 0.953 443 S HN 0.461 nan 8.310 nan 0.000 0.488 444 I N 5.704 125.812 120.570 -0.769 0.000 2.315 444 I HA 0.338 4.507 4.170 -0.000 0.000 0.291 444 I C 0.426 176.161 176.117 -0.636 0.000 1.006 444 I CA -0.211 60.392 61.300 -1.163 0.000 1.265 444 I CB 0.643 37.603 38.000 -1.733 0.000 1.387 444 I HN 0.751 nan 8.210 nan 0.000 0.475 445 T N 0.595 114.969 114.554 -0.300 0.000 2.921 445 T HA 0.646 4.996 4.350 -0.000 0.000 0.297 445 T C 0.403 175.170 174.700 0.113 0.000 1.013 445 T CA -0.388 61.678 62.100 -0.057 0.000 0.990 445 T CB 1.820 70.709 68.868 0.034 0.000 1.023 445 T HN 1.052 nan 8.240 nan 0.000 0.447 446 G N 1.333 110.179 108.800 0.076 0.000 2.165 446 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.226 446 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.226 446 G C -0.326 174.681 174.900 0.179 0.000 1.035 446 G CA -0.152 45.026 45.100 0.131 0.000 0.744 446 G HN 1.099 nan 8.290 nan 0.000 0.501 447 L N 0.959 122.257 121.223 0.126 0.000 2.290 447 L HA 0.733 5.073 4.340 -0.000 0.000 0.284 447 L C 0.112 177.042 176.870 0.099 0.000 1.078 447 L CA -0.703 54.229 54.840 0.153 0.000 0.815 447 L CB 1.657 43.758 42.059 0.071 0.000 1.162 447 L HN 0.103 nan 8.230 nan 0.000 0.435 448 V N 4.710 124.682 119.914 0.097 0.000 2.448 448 V HA 0.691 4.811 4.120 -0.000 0.000 0.295 448 V C 0.310 176.430 176.094 0.044 0.000 1.025 448 V CA -0.087 62.250 62.300 0.061 0.000 0.859 448 V CB 1.629 33.494 31.823 0.070 0.000 0.988 448 V HN 0.974 nan 8.190 nan 0.000 0.431 449 T N 0.685 115.252 114.554 0.021 0.000 2.807 449 T HA 0.430 4.780 4.350 -0.000 0.000 0.277 449 T C 0.401 175.113 174.700 0.019 0.000 1.006 449 T CA -0.478 61.628 62.100 0.011 0.000 1.006 449 T CB 1.933 70.782 68.868 -0.033 0.000 1.274 449 T HN 0.350 nan 8.240 nan 0.000 0.569 450 S N -0.023 115.692 115.700 0.025 0.000 2.575 450 S HA 0.336 4.805 4.470 -0.000 0.000 0.237 450 S C 0.347 174.933 174.600 -0.023 0.000 0.975 450 S CA -0.538 57.679 58.200 0.030 0.000 0.960 450 S CB -0.614 62.634 63.200 0.081 0.000 0.822 450 S HN 0.475 nan 8.310 nan 0.000 0.472 451 L N 2.771 123.942 121.223 -0.087 0.000 2.397 451 L HA 0.305 4.645 4.340 -0.000 0.000 0.271 451 L C -2.202 174.585 176.870 -0.138 0.000 1.148 451 L CA -2.058 52.668 54.840 -0.189 0.000 0.825 451 L CB 0.144 41.952 42.059 -0.418 0.000 1.117 451 L HN -0.009 nan 8.230 nan 0.000 0.456 452 P HA 0.080 nan 4.420 nan 0.000 0.272 452 P C -0.820 176.479 177.300 -0.000 0.000 1.254 452 P CA -0.423 62.579 63.100 -0.164 0.000 0.795 452 P CB 0.402 31.879 31.700 -0.372 0.000 1.022 453 R N 0.356 120.837 120.500 -0.031 0.000 2.623 453 R HA 0.510 4.850 4.340 -0.000 0.000 0.271 453 R C 0.670 176.924 176.300 -0.077 0.000 1.043 453 R CA 0.740 56.825 56.100 -0.024 0.000 1.083 453 R CB -0.424 29.848 30.300 -0.046 0.000 0.974 453 R HN 0.821 nan 8.270 nan 0.000 0.436 454 G N 0.085 108.807 108.800 -0.129 0.000 2.350 454 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.304 454 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.304 454 G C -1.338 173.335 174.900 -0.378 0.000 1.421 454 G CA -0.925 43.977 45.100 -0.330 0.000 0.934 454 G HN 0.376 nan 8.290 nan 0.000 0.632 455 S N 0.555 116.017 115.700 -0.397 0.000 2.466 455 S HA 0.500 4.970 4.470 -0.000 0.000 0.313 455 S C -0.760 173.653 174.600 -0.311 0.000 1.078 455 S CA -0.269 57.767 58.200 -0.273 0.000 1.115 455 S CB -0.034 63.065 63.200 -0.168 0.000 1.006 455 S HN 0.389 nan 8.310 nan 0.000 0.487 456 Y N 2.750 122.972 120.300 -0.130 0.000 2.393 456 Y HA 0.198 4.747 4.550 -0.001 0.000 0.338 456 Y C 0.885 176.817 175.900 0.054 0.000 1.029 456 Y CA -0.540 57.536 58.100 -0.040 0.000 1.239 456 Y CB 0.246 38.663 38.460 -0.071 0.000 1.170 456 Y HN 0.514 nan 8.280 nan 0.000 0.515 457 N N 2.027 120.863 118.700 0.227 0.000 2.529 457 N HA 0.040 4.780 4.740 -0.000 0.000 0.278 457 N C -0.942 174.757 175.510 0.314 0.000 1.146 457 N CA -0.666 52.512 53.050 0.213 0.000 0.980 457 N CB 0.441 38.994 38.487 0.111 0.000 1.124 457 N HN 0.533 nan 8.380 nan 0.000 0.458 458 D N 1.602 122.162 120.400 0.267 0.000 2.451 458 D HA -0.060 4.580 4.640 -0.000 0.000 0.254 458 D C 0.868 177.167 176.300 -0.002 0.000 1.204 458 D CA 0.052 54.078 54.000 0.044 0.000 0.896 458 D CB 0.669 41.457 40.800 -0.021 0.000 1.136 458 D HN 0.219 nan 8.370 nan 0.000 0.499 459 V N 4.700 124.588 119.914 -0.044 0.000 2.568 459 V HA -0.219 3.901 4.120 -0.000 0.000 0.253 459 V C 2.244 178.307 176.094 -0.052 0.000 1.072 459 V CA 1.236 63.517 62.300 -0.032 0.000 1.084 459 V CB -0.470 31.326 31.823 -0.045 0.000 0.676 459 V HN 0.642 nan 8.190 nan 0.000 0.469 460 L N 0.401 121.571 121.223 -0.087 0.000 2.552 460 L HA 0.188 4.528 4.340 -0.000 0.000 0.227 460 L C 1.762 178.609 176.870 -0.039 0.000 1.146 460 L CA 0.806 55.604 54.840 -0.070 0.000 0.858 460 L CB -0.719 41.282 42.059 -0.097 0.000 0.969 460 L HN 0.545 nan 8.230 nan 0.000 0.451 461 G N 0.098 108.883 108.800 -0.025 0.000 2.249 461 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.273 461 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.273 461 G C 1.003 175.902 174.900 -0.002 0.000 1.036 461 G CA 0.370 45.468 45.100 -0.003 0.000 0.824 461 G HN 0.654 nan 8.290 nan 0.000 0.504 462 G N -0.731 108.063 108.800 -0.010 0.000 2.189 462 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.267 462 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.267 462 G C 1.413 176.311 174.900 -0.003 0.000 0.975 462 G CA 1.321 46.420 45.100 -0.002 0.000 0.644 462 G HN 2.012 nan 8.290 nan 0.000 0.537 463 I N -1.950 118.616 120.570 -0.006 0.000 2.493 463 I HA 0.215 4.385 4.170 -0.000 0.000 0.254 463 I C 1.601 177.720 176.117 0.003 0.000 1.160 463 I CA 1.157 62.459 61.300 0.003 0.000 1.445 463 I CB -0.182 37.824 38.000 0.009 0.000 1.086 463 I HN 0.183 nan 8.210 nan 0.000 0.433 464 L N 2.484 123.699 121.223 -0.012 0.000 3.073 464 L HA 0.344 4.683 4.340 -0.000 0.000 0.242 464 L C -0.099 176.767 176.870 -0.007 0.000 1.317 464 L CA -0.277 54.559 54.840 -0.007 0.000 1.081 464 L CB -0.696 41.351 42.059 -0.020 0.000 1.456 464 L HN 0.281 nan 8.230 nan 0.000 0.525 465 N N 0.638 119.340 118.700 0.002 0.000 2.747 465 N HA -0.139 4.601 4.740 -0.000 0.000 0.249 465 N C 0.521 176.040 175.510 0.015 0.000 1.107 465 N CA 0.983 54.041 53.050 0.014 0.000 0.707 465 N CB -0.875 37.627 38.487 0.025 0.000 1.054 465 N HN 0.638 nan 8.380 nan 0.000 0.555 466 G N 0.278 109.071 108.800 -0.012 0.000 2.562 466 G HA2 0.498 4.458 3.960 -0.000 0.000 0.275 466 G HA3 0.498 4.458 3.960 -0.000 0.000 0.275 466 G C 0.346 175.272 174.900 0.043 0.000 1.196 466 G CA -0.318 44.768 45.100 -0.023 0.000 0.908 466 G HN 0.434 nan 8.290 nan 0.000 0.524 467 N N -1.375 117.396 118.700 0.118 0.000 2.509 467 N HA 0.340 5.079 4.740 -0.000 0.000 0.280 467 N C -0.896 174.763 175.510 0.247 0.000 1.306 467 N CA -0.582 52.549 53.050 0.135 0.000 0.782 467 N CB 1.470 40.015 38.487 0.097 0.000 1.493 467 N HN 0.305 nan 8.380 nan 0.000 0.498 468 T N 0.819 115.432 114.554 0.098 0.000 2.910 468 T HA 0.305 4.655 4.350 -0.000 0.000 0.293 468 T C -0.103 174.432 174.700 -0.276 0.000 1.015 468 T CA -0.284 61.841 62.100 0.042 0.000 1.094 468 T CB 0.460 69.322 68.868 -0.011 0.000 0.968 468 T HN 0.385 nan 8.240 nan 0.000 0.521 469 L N 3.055 123.949 121.223 -0.548 0.000 2.313 469 L HA 0.468 4.808 4.340 -0.000 0.000 0.283 469 L C -0.185 176.436 176.870 -0.415 0.000 1.013 469 L CA -0.067 54.241 54.840 -0.887 0.000 0.816 469 L CB 1.519 42.495 42.059 -1.806 0.000 1.236 469 L HN 0.585 nan 8.230 nan 0.000 0.419 470 T N 4.604 118.974 114.554 -0.307 0.000 2.749 470 T HA 0.560 4.909 4.350 -0.000 0.000 0.287 470 T C -0.522 174.107 174.700 -0.117 0.000 0.970 470 T CA -0.340 61.663 62.100 -0.161 0.000 0.980 470 T CB 1.082 69.877 68.868 -0.122 0.000 0.924 470 T HN 0.322 nan 8.240 nan 0.000 0.456 471 V N 3.222 123.105 119.914 -0.051 0.000 2.448 471 V HA 0.746 4.865 4.120 -0.000 0.000 0.295 471 V C 0.790 176.873 176.094 -0.018 0.000 1.025 471 V CA -0.584 61.705 62.300 -0.019 0.000 0.859 471 V CB 1.687 33.546 31.823 0.060 0.000 0.988 471 V HN 1.004 nan 8.190 nan 0.000 0.431 472 G N 2.538 111.325 108.800 -0.022 0.000 2.736 472 G HA2 0.692 4.652 3.960 -0.000 0.000 0.229 472 G HA3 0.692 4.652 3.960 -0.000 0.000 0.229 472 G C -0.097 174.793 174.900 -0.016 0.000 1.380 472 G CA -0.249 44.838 45.100 -0.022 0.000 1.040 472 G HN 1.028 nan 8.290 nan 0.000 0.568 473 A N -1.642 121.170 122.820 -0.014 0.000 2.440 473 A HA 0.539 4.858 4.320 -0.000 0.000 0.251 473 A C 1.293 178.874 177.584 -0.004 0.000 1.089 473 A CA 1.008 53.039 52.037 -0.011 0.000 0.779 473 A CB -0.291 18.703 19.000 -0.009 0.000 1.022 473 A HN 2.500 nan 8.150 nan 0.000 0.492 474 G N 0.879 109.677 108.800 -0.004 0.000 2.132 474 G HA2 0.184 4.143 3.960 -0.000 0.000 0.228 474 G HA3 0.184 4.143 3.960 -0.000 0.000 0.228 474 G C 1.551 176.455 174.900 0.006 0.000 1.000 474 G CA 0.834 45.936 45.100 0.004 0.000 0.693 474 G HN 2.752 nan 8.290 nan 0.000 0.515 475 G N -1.312 107.486 108.800 -0.005 0.000 2.189 475 G HA2 0.127 4.087 3.960 -0.000 0.000 0.267 475 G HA3 0.127 4.087 3.960 -0.000 0.000 0.267 475 G C 0.891 175.787 174.900 -0.006 0.000 0.975 475 G CA 1.347 46.441 45.100 -0.009 0.000 0.644 475 G HN 2.366 nan 8.290 nan 0.000 0.537 476 A N -0.027 122.794 122.820 0.002 0.000 2.409 476 A HA 0.816 5.136 4.320 -0.000 0.000 0.262 476 A C 0.725 178.305 177.584 -0.007 0.000 1.113 476 A CA 0.963 53.005 52.037 0.008 0.000 0.790 476 A CB 0.653 19.662 19.000 0.015 0.000 1.046 476 A HN 2.017 nan 8.150 nan 0.000 0.496 477 A N 2.646 125.464 122.820 -0.004 0.000 2.303 477 A HA 0.653 4.973 4.320 -0.000 0.000 0.317 477 A C 0.615 178.208 177.584 0.015 0.000 1.149 477 A CA -0.414 51.608 52.037 -0.025 0.000 0.822 477 A CB 0.298 19.271 19.000 -0.045 0.000 1.131 477 A HN 1.131 nan 8.150 nan 0.000 0.493 478 S N 1.679 117.380 115.700 0.002 0.000 2.568 478 S HA 0.080 4.550 4.470 -0.000 0.000 0.282 478 S C 0.284 174.961 174.600 0.127 0.000 1.338 478 S CA -0.404 57.817 58.200 0.034 0.000 1.045 478 S CB -0.069 63.135 63.200 0.008 0.000 0.873 478 S HN 0.746 nan 8.310 nan 0.000 0.516 479 N N 1.304 120.053 118.700 0.081 0.000 2.416 479 N HA 0.450 5.189 4.740 -0.000 0.000 0.246 479 N C -0.586 175.019 175.510 0.159 0.000 1.260 479 N CA 0.103 53.181 53.050 0.047 0.000 0.897 479 N CB 0.217 38.686 38.487 -0.030 0.000 1.110 479 N HN 0.668 nan 8.380 nan 0.000 0.439 480 F N -2.635 117.250 119.950 -0.107 0.000 2.713 480 F HA 0.449 4.976 4.527 0.000 0.000 0.311 480 F C -1.094 174.651 175.800 -0.091 0.000 1.141 480 F CA -1.204 56.747 58.000 -0.082 0.000 0.939 480 F CB 1.018 39.975 39.000 -0.072 0.000 1.325 480 F HN 0.075 nan 8.300 nan 0.000 0.453 481 T N 3.249 117.853 114.554 0.083 0.000 2.767 481 T HA 0.484 4.834 4.350 -0.000 0.000 0.284 481 T C -0.980 173.793 174.700 0.122 0.000 0.973 481 T CA -0.364 61.728 62.100 -0.013 0.000 0.996 481 T CB 1.292 70.170 68.868 0.017 0.000 0.927 481 T HN 0.605 nan 8.240 nan 0.000 0.456 482 L N 4.157 125.396 121.223 0.026 0.000 2.278 482 L HA 0.614 4.954 4.340 -0.000 0.000 0.287 482 L C 0.622 177.533 176.870 0.068 0.000 1.072 482 L CA -0.569 54.344 54.840 0.122 0.000 0.819 482 L CB -0.261 41.836 42.059 0.064 0.000 1.176 482 L HN 0.835 nan 8.230 nan 0.000 0.435 483 A N 7.127 129.997 122.820 0.083 0.000 2.547 483 A HA 0.299 4.619 4.320 -0.000 0.000 0.233 483 A C -2.173 175.439 177.584 0.046 0.000 1.067 483 A CA -0.697 51.374 52.037 0.057 0.000 0.763 483 A CB -0.971 18.062 19.000 0.055 0.000 1.007 483 A HN 0.702 nan 8.150 nan 0.000 0.506 484 P HA 0.176 nan 4.420 nan 0.000 0.258 484 P C 0.956 178.283 177.300 0.045 0.000 1.172 484 P CA 2.021 65.145 63.100 0.041 0.000 0.762 484 P CB 0.256 31.977 31.700 0.035 0.000 0.764 485 G N 2.550 111.383 108.800 0.054 0.000 2.155 485 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.257 485 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.257 485 G C 0.649 175.578 174.900 0.047 0.000 0.983 485 G CA -0.176 44.960 45.100 0.059 0.000 0.676 485 G HN 0.878 nan 8.290 nan 0.000 0.528 486 G N -0.502 108.325 108.800 0.045 0.000 2.380 486 G HA2 0.528 4.488 3.960 -0.000 0.000 0.242 486 G HA3 0.528 4.488 3.960 -0.000 0.000 0.242 486 G C -0.040 174.864 174.900 0.007 0.000 1.298 486 G CA 1.001 46.120 45.100 0.032 0.000 0.878 486 G HN 0.774 nan 8.290 nan 0.000 0.542 487 T N 0.518 115.048 114.554 -0.041 0.000 2.991 487 T HA 0.660 5.010 4.350 -0.000 0.000 0.303 487 T C -0.255 174.322 174.700 -0.206 0.000 1.015 487 T CA 0.020 62.058 62.100 -0.102 0.000 1.007 487 T CB 1.713 70.535 68.868 -0.078 0.000 1.034 487 T HN 1.109 nan 8.240 nan 0.000 0.446 488 A N 2.428 125.012 122.820 -0.393 0.000 2.539 488 A HA 0.934 5.254 4.320 -0.000 0.000 0.296 488 A C -1.353 175.665 177.584 -0.943 0.000 1.073 488 A CA -0.733 50.883 52.037 -0.701 0.000 0.700 488 A CB 1.679 20.073 19.000 -1.009 0.000 1.296 488 A HN 0.659 nan 8.150 nan 0.000 0.405 489 V N 1.495 120.861 119.914 -0.914 0.000 2.638 489 V HA 0.598 4.717 4.120 -0.000 0.000 0.306 489 V C -1.288 174.456 176.094 -0.584 0.000 1.052 489 V CA -0.510 61.419 62.300 -0.619 0.000 0.885 489 V CB 1.699 33.343 31.823 -0.298 0.000 0.999 489 V HN 0.828 nan 8.190 nan 0.000 0.424 490 W N 3.815 125.066 121.300 -0.083 0.000 2.819 490 W HA 0.740 5.400 4.660 -0.000 0.000 0.337 490 W C -0.323 176.131 176.519 -0.108 0.000 1.077 490 W CA -0.632 56.662 57.345 -0.085 0.000 1.226 490 W CB 2.087 31.461 29.460 -0.142 0.000 1.419 490 W HN 0.733 nan 8.180 nan 0.000 0.502 491 Q N 1.658 121.545 119.800 0.145 0.000 2.462 491 Q HA 0.667 5.006 4.340 -0.000 0.000 0.285 491 Q C -2.292 173.808 176.000 0.167 0.000 1.035 491 Q CA -1.040 54.816 55.803 0.089 0.000 0.799 491 Q CB 3.536 32.318 28.738 0.073 0.000 1.452 491 Q HN 0.379 nan 8.270 nan 0.000 0.404 492 Y N 0.762 121.074 120.300 0.018 0.000 2.441 492 Y HA 0.586 5.136 4.550 -0.000 0.000 0.334 492 Y C -1.728 174.215 175.900 0.071 0.000 1.061 492 Y CA -0.093 58.062 58.100 0.092 0.000 1.032 492 Y CB 2.427 40.934 38.460 0.077 0.000 1.266 492 Y HN 0.924 nan 8.280 nan 0.000 0.441 493 T N 2.027 116.171 114.554 -0.684 0.000 2.893 493 T HA 0.921 5.271 4.350 -0.000 0.000 0.293 493 T C -0.624 173.711 174.700 -0.607 0.000 1.027 493 T CA -0.181 61.638 62.100 -0.467 0.000 0.988 493 T CB 2.010 70.757 68.868 -0.203 0.000 1.043 493 T HN 0.861 nan 8.240 nan 0.000 0.461 494 T N -0.268 114.091 114.554 -0.325 0.000 2.665 494 T HA 0.530 4.880 4.350 -0.000 0.000 0.303 494 T C -1.427 173.236 174.700 -0.062 0.000 1.334 494 T CA -0.986 61.014 62.100 -0.165 0.000 1.011 494 T CB 0.493 69.328 68.868 -0.055 0.000 1.573 494 T HN 0.581 nan 8.240 nan 0.000 0.492 495 D N 0.421 120.805 120.400 -0.027 0.000 2.313 495 D HA 0.584 5.223 4.640 -0.000 0.000 0.247 495 D C -0.008 176.283 176.300 -0.015 0.000 1.094 495 D CA -0.092 53.897 54.000 -0.019 0.000 0.925 495 D CB 0.857 41.650 40.800 -0.012 0.000 1.188 495 D HN 0.867 nan 8.370 nan 0.000 0.430 496 A N 0.638 123.434 122.820 -0.040 0.000 2.293 496 A HA 0.449 4.769 4.320 -0.000 0.000 0.302 496 A C 0.839 178.400 177.584 -0.037 0.000 1.119 496 A CA -0.493 51.507 52.037 -0.062 0.000 0.823 496 A CB 0.701 19.621 19.000 -0.133 0.000 1.097 496 A HN 0.659 nan 8.150 nan 0.000 0.491 497 T N -0.175 114.366 114.554 -0.023 0.000 3.015 497 T HA 0.102 4.452 4.350 -0.000 0.000 0.250 497 T C 0.723 175.428 174.700 0.009 0.000 1.057 497 T CA 0.818 62.918 62.100 -0.000 0.000 1.066 497 T CB -0.144 68.729 68.868 0.009 0.000 0.959 497 T HN 0.599 nan 8.240 nan 0.000 0.488 498 T N 4.087 118.634 114.554 -0.012 0.000 2.889 498 T HA 0.360 4.710 4.350 -0.000 0.000 0.291 498 T C -2.695 172.004 174.700 -0.002 0.000 0.995 498 T CA -1.286 60.814 62.100 -0.001 0.000 1.092 498 T CB 1.064 69.915 68.868 -0.028 0.000 0.954 498 T HN -0.025 nan 8.240 nan 0.000 0.506 499 P HA 0.294 nan 4.420 nan 0.000 0.267 499 P C -0.886 176.453 177.300 0.064 0.000 1.209 499 P CA 0.002 63.200 63.100 0.163 0.000 0.763 499 P CB 0.084 31.970 31.700 0.310 0.000 0.816 500 I N 3.761 124.314 120.570 -0.029 0.000 2.512 500 I HA 0.402 4.572 4.170 -0.000 0.000 0.287 500 I C -0.136 176.053 176.117 0.119 0.000 1.069 500 I CA -0.721 60.532 61.300 -0.078 0.000 1.056 500 I CB 1.887 39.577 38.000 -0.517 0.000 1.229 500 I HN 0.105 nan 8.210 nan 0.000 0.429 501 I N 4.590 125.289 120.570 0.216 0.000 2.342 501 I HA 0.347 4.516 4.170 -0.000 0.000 0.291 501 I C 1.149 177.381 176.117 0.192 0.000 1.010 501 I CA 0.190 61.607 61.300 0.195 0.000 1.308 501 I CB 1.613 39.682 38.000 0.114 0.000 1.400 501 I HN 0.893 nan 8.210 nan 0.000 0.488 502 G N 4.938 113.651 108.800 -0.145 0.000 2.724 502 G HA2 0.098 4.058 3.960 -0.000 0.000 0.205 502 G HA3 0.098 4.058 3.960 -0.000 0.000 0.205 502 G C 0.228 174.979 174.900 -0.249 0.000 1.112 502 G CA 0.096 44.955 45.100 -0.402 0.000 0.793 502 G HN 0.630 nan 8.290 nan 0.000 0.526 503 N N -1.482 116.954 118.700 -0.440 0.000 2.504 503 N HA 0.472 5.212 4.740 -0.000 0.000 0.268 503 N C -2.033 173.168 175.510 -0.516 0.000 1.184 503 N CA -0.522 52.328 53.050 -0.335 0.000 0.875 503 N CB 2.651 41.114 38.487 -0.039 0.000 1.630 503 N HN -0.125 nan 8.380 nan 0.000 0.486 504 V N 0.683 120.270 119.914 -0.544 0.000 2.789 504 V HA 0.919 5.038 4.120 -0.000 0.000 0.311 504 V C -0.084 175.989 176.094 -0.034 0.000 1.073 504 V CA -0.468 61.632 62.300 -0.334 0.000 0.921 504 V CB 1.709 33.276 31.823 -0.427 0.000 1.009 504 V HN 0.825 nan 8.190 nan 0.000 0.426 505 G N 4.075 112.899 108.800 0.040 0.000 2.766 505 G HA2 0.666 4.625 3.960 -0.000 0.000 0.297 505 G HA3 0.666 4.625 3.960 -0.000 0.000 0.297 505 G C -3.356 171.623 174.900 0.130 0.000 1.431 505 G CA -1.029 44.145 45.100 0.125 0.000 1.042 505 G HN 0.492 nan 8.290 nan 0.000 0.542 506 P HA 0.186 nan 4.420 nan 0.000 0.274 506 P C 0.358 177.796 177.300 0.231 0.000 1.246 506 P CA -0.352 62.839 63.100 0.150 0.000 0.795 506 P CB 1.284 33.038 31.700 0.088 0.000 1.006 507 M N 0.411 120.061 119.600 0.082 0.000 2.431 507 M HA 0.265 4.745 4.480 -0.000 0.000 0.237 507 M C 0.577 176.532 176.300 -0.575 0.000 1.130 507 M CA 0.400 55.655 55.300 -0.074 0.000 1.002 507 M CB -0.604 32.021 32.600 0.043 0.000 1.524 507 M HN 0.459 nan 8.290 nan 0.000 0.482 508 M N 0.798 120.134 119.600 -0.440 0.000 2.234 508 M HA 0.588 5.068 4.480 -0.000 0.000 0.267 508 M C -2.126 174.044 176.300 -0.216 0.000 1.022 508 M CA -0.185 54.866 55.300 -0.415 0.000 0.993 508 M CB 2.093 34.551 32.600 -0.236 0.000 1.836 508 M HN 0.045 nan 8.290 nan 0.000 0.479 509 A N 3.757 126.487 122.820 -0.150 0.000 2.566 509 A HA 0.649 4.969 4.320 -0.000 0.000 0.290 509 A C -1.843 175.751 177.584 0.016 0.000 1.071 509 A CA -0.965 51.065 52.037 -0.012 0.000 0.658 509 A CB 1.644 20.693 19.000 0.082 0.000 1.285 509 A HN 0.854 nan 8.150 nan 0.000 0.427 510 K N 0.207 120.612 120.400 0.008 0.000 2.090 510 K HA 0.653 4.973 4.320 -0.000 0.000 0.250 510 K C -2.685 173.905 176.600 -0.018 0.000 1.004 510 K CA -1.609 54.677 56.287 -0.002 0.000 0.919 510 K CB 0.238 32.734 32.500 -0.007 0.000 1.045 510 K HN 0.246 nan 8.250 nan 0.000 0.471 511 P HA -0.106 nan 4.420 nan 0.000 0.263 511 P C 0.505 177.761 177.300 -0.073 0.000 1.168 511 P CA 1.764 64.807 63.100 -0.095 0.000 0.759 511 P CB 0.368 32.012 31.700 -0.093 0.000 0.782 512 G N 0.806 109.551 108.800 -0.092 0.000 2.213 512 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 512 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 512 G C 0.051 174.924 174.900 -0.045 0.000 0.991 512 G CA -0.130 44.932 45.100 -0.063 0.000 0.629 512 G HN 0.541 nan 8.290 nan 0.000 0.517 513 V N 2.418 122.313 119.914 -0.032 0.000 2.498 513 V HA 0.484 4.604 4.120 -0.000 0.000 0.279 513 V C 0.966 177.056 176.094 -0.007 0.000 1.048 513 V CA 0.260 62.555 62.300 -0.008 0.000 0.967 513 V CB 1.443 33.279 31.823 0.022 0.000 0.988 513 V HN 0.310 nan 8.190 nan 0.000 0.473 514 T N 7.030 121.577 114.554 -0.011 0.000 2.769 514 T HA 0.388 4.738 4.350 -0.000 0.000 0.293 514 T C 0.063 174.771 174.700 0.013 0.000 0.931 514 T CA 0.186 62.280 62.100 -0.010 0.000 1.139 514 T CB -0.288 68.567 68.868 -0.022 0.000 0.881 514 T HN 0.591 nan 8.240 nan 0.000 0.532 515 I N 0.289 120.871 120.570 0.020 0.000 2.793 515 I HA 0.698 4.868 4.170 -0.000 0.000 0.313 515 I C -0.093 176.008 176.117 -0.026 0.000 0.998 515 I CA -0.822 60.500 61.300 0.037 0.000 1.140 515 I CB 1.686 39.730 38.000 0.075 0.000 1.327 515 I HN 0.256 nan 8.210 nan 0.000 0.491 516 T N 5.069 119.605 114.554 -0.029 0.000 2.779 516 T HA 0.619 4.969 4.350 -0.000 0.000 0.280 516 T C -0.274 174.350 174.700 -0.127 0.000 0.987 516 T CA -0.215 61.841 62.100 -0.074 0.000 0.966 516 T CB 0.971 69.817 68.868 -0.036 0.000 0.933 516 T HN 0.376 nan 8.240 nan 0.000 0.442 517 I N 3.281 123.730 120.570 -0.201 0.000 2.406 517 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 517 I C -0.599 175.429 176.117 -0.149 0.000 0.999 517 I CA -0.800 60.340 61.300 -0.266 0.000 1.124 517 I CB 1.678 39.422 38.000 -0.427 0.000 1.289 517 I HN 0.455 nan 8.210 nan 0.000 0.441 518 D N 4.370 124.697 120.400 -0.122 0.000 2.342 518 D HA 0.799 5.439 4.640 -0.000 0.000 0.243 518 D C 0.140 176.321 176.300 -0.200 0.000 1.019 518 D CA -0.042 53.916 54.000 -0.071 0.000 0.864 518 D CB 2.538 43.271 40.800 -0.112 0.000 1.315 518 D HN 0.792 nan 8.370 nan 0.000 0.468 519 G N 0.621 109.272 108.800 -0.249 0.000 2.452 519 G HA2 0.284 4.244 3.960 -0.000 0.000 0.224 519 G HA3 0.284 4.244 3.960 -0.000 0.000 0.224 519 G C -1.368 173.268 174.900 -0.440 0.000 1.208 519 G CA -0.625 44.269 45.100 -0.343 0.000 0.946 519 G HN 0.302 nan 8.290 nan 0.000 0.481 520 R N -0.925 119.267 120.500 -0.513 0.000 2.739 520 R HA 0.634 4.974 4.340 -0.000 0.000 0.271 520 R C 0.546 176.487 176.300 -0.597 0.000 1.010 520 R CA 0.057 55.881 56.100 -0.460 0.000 0.897 520 R CB 1.248 31.523 30.300 -0.042 0.000 1.236 520 R HN 2.265 nan 8.270 nan 0.000 0.466 521 G N 0.655 109.222 108.800 -0.389 0.000 2.157 521 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 521 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 521 G C 0.678 175.579 174.900 0.002 0.000 0.979 521 G CA 0.402 45.400 45.100 -0.170 0.000 0.650 521 G HN 0.567 nan 8.290 nan 0.000 0.529 522 F N 1.130 121.106 119.950 0.043 0.000 2.365 522 F HA 0.283 4.810 4.527 -0.000 0.000 0.300 522 F C 2.083 178.113 175.800 0.382 0.000 1.090 522 F CA 0.839 58.918 58.000 0.133 0.000 1.408 522 F CB 0.019 38.900 39.000 -0.198 0.000 1.060 522 F HN 0.865 nan 8.300 nan 0.000 0.534 523 G N 0.207 109.235 108.800 0.380 0.000 2.795 523 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.664 523 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.664 523 G C 0.369 175.496 174.900 0.378 0.000 1.381 523 G CA -0.300 44.981 45.100 0.302 0.000 0.853 523 G HN 0.092 nan 8.290 nan 0.000 0.545 524 S N -0.047 115.788 115.700 0.225 0.000 2.470 524 S HA 0.336 4.806 4.470 -0.000 0.000 0.222 524 S C 1.522 176.205 174.600 0.137 0.000 1.024 524 S CA 1.035 59.364 58.200 0.215 0.000 0.931 524 S CB 0.224 63.491 63.200 0.112 0.000 0.791 524 S HN 1.546 nan 8.310 nan 0.000 0.513 525 G N 1.787 110.582 108.800 -0.008 0.000 2.370 525 G HA2 0.343 4.303 3.960 -0.000 0.000 0.272 525 G HA3 0.343 4.303 3.960 -0.000 0.000 0.272 525 G C -0.457 174.074 174.900 -0.616 0.000 1.208 525 G CA -0.491 44.496 45.100 -0.188 0.000 0.856 525 G HN 0.243 nan 8.290 nan 0.000 0.500 526 K N 1.918 121.881 120.400 -0.728 0.000 2.453 526 K HA 0.200 4.520 4.320 -0.000 0.000 0.280 526 K C 1.028 176.831 176.600 -1.329 0.000 1.045 526 K CA 0.459 55.986 56.287 -1.265 0.000 1.059 526 K CB 0.122 32.340 32.500 -0.470 0.000 0.901 526 K HN 0.507 nan 8.250 nan 0.000 0.475 527 G N 2.457 109.895 108.800 -2.269 0.000 3.271 527 G HA2 0.308 4.268 3.960 -0.000 0.000 0.174 527 G HA3 0.308 4.268 3.960 -0.000 0.000 0.174 527 G C -0.892 173.679 174.900 -0.548 0.000 1.385 527 G CA -0.322 44.150 45.100 -1.047 0.000 0.979 527 G HN 0.567 nan 8.290 nan 0.000 0.610 528 T N -0.299 114.202 114.554 -0.089 0.000 2.893 528 T HA 0.541 4.891 4.350 -0.000 0.000 0.293 528 T C -0.962 173.742 174.700 0.008 0.000 1.027 528 T CA -0.248 61.809 62.100 -0.072 0.000 0.988 528 T CB 2.106 70.859 68.868 -0.192 0.000 1.043 528 T HN 0.297 nan 8.240 nan 0.000 0.461 529 V N 3.115 122.965 119.914 -0.107 0.000 2.435 529 V HA 0.462 4.582 4.120 -0.000 0.000 0.290 529 V C -1.183 174.731 176.094 -0.301 0.000 1.030 529 V CA -0.858 61.351 62.300 -0.152 0.000 0.881 529 V CB 0.932 32.689 31.823 -0.110 0.000 0.983 529 V HN 0.815 nan 8.190 nan 0.000 0.445 530 Y N 3.805 124.041 120.300 -0.107 0.000 2.341 530 Y HA 0.605 5.155 4.550 -0.000 0.000 0.337 530 Y C -0.393 175.419 175.900 -0.147 0.000 1.014 530 Y CA -0.440 57.639 58.100 -0.036 0.000 1.111 530 Y CB 1.607 40.060 38.460 -0.011 0.000 1.194 530 Y HN 0.520 nan 8.280 nan 0.000 0.462 531 F N 2.368 122.381 119.950 0.105 0.000 2.403 531 F HA 0.541 5.068 4.527 -0.000 0.000 0.355 531 F C 0.884 176.847 175.800 0.273 0.000 1.119 531 F CA -0.346 57.706 58.000 0.087 0.000 1.007 531 F CB 1.141 40.046 39.000 -0.159 0.000 1.194 531 F HN 0.779 nan 8.300 nan 0.000 0.443 532 G N 2.500 111.593 108.800 0.487 0.000 2.583 532 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.292 532 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.292 532 G C 0.919 175.994 174.900 0.293 0.000 1.203 532 G CA 0.433 45.761 45.100 0.380 0.000 0.987 532 G HN 0.847 nan 8.290 nan 0.000 0.554 533 T N -1.645 113.069 114.554 0.267 0.000 3.105 533 T HA 0.462 4.812 4.350 -0.000 0.000 0.253 533 T C 0.844 175.759 174.700 0.358 0.000 1.047 533 T CA 1.196 63.450 62.100 0.257 0.000 0.944 533 T CB 0.136 69.091 68.868 0.145 0.000 1.016 533 T HN 0.739 nan 8.240 nan 0.000 0.544 534 T N 3.167 117.916 114.554 0.325 0.000 2.832 534 T HA 0.620 4.969 4.350 -0.000 0.000 0.296 534 T C 0.207 174.995 174.700 0.146 0.000 0.968 534 T CA -0.500 61.725 62.100 0.209 0.000 1.107 534 T CB 0.973 69.927 68.868 0.143 0.000 0.916 534 T HN 0.501 nan 8.240 nan 0.000 0.517 535 A N 3.199 126.014 122.820 -0.008 0.000 2.305 535 A HA 0.706 5.025 4.320 -0.000 0.000 0.322 535 A C -0.418 177.063 177.584 -0.172 0.000 1.187 535 A CA -0.651 51.197 52.037 -0.315 0.000 0.825 535 A CB 0.737 19.532 19.000 -0.342 0.000 1.164 535 A HN 0.681 nan 8.150 nan 0.000 0.498 536 V N 2.409 122.215 119.914 -0.180 0.000 2.487 536 V HA 0.742 4.862 4.120 -0.000 0.000 0.298 536 V C 0.239 176.276 176.094 -0.096 0.000 1.028 536 V CA -0.019 62.234 62.300 -0.077 0.000 0.860 536 V CB 1.354 33.191 31.823 0.024 0.000 0.991 536 V HN 1.199 nan 8.190 nan 0.000 0.427 537 T N 0.602 115.109 114.554 -0.078 0.000 2.841 537 T HA 0.877 5.227 4.350 -0.000 0.000 0.296 537 T C 0.417 175.083 174.700 -0.057 0.000 1.166 537 T CA 0.166 62.217 62.100 -0.083 0.000 1.007 537 T CB 1.710 70.513 68.868 -0.109 0.000 1.253 537 T HN 1.813 nan 8.240 nan 0.000 0.511 538 G N 1.166 109.927 108.800 -0.065 0.000 2.543 538 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.286 538 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.286 538 G C 1.266 176.150 174.900 -0.027 0.000 1.153 538 G CA 1.172 46.241 45.100 -0.052 0.000 0.968 538 G HN 1.859 nan 8.290 nan 0.000 0.544 539 A N -0.728 122.077 122.820 -0.026 0.000 1.969 539 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 539 A C 1.897 179.473 177.584 -0.014 0.000 1.169 539 A CA 2.415 54.442 52.037 -0.018 0.000 0.635 539 A CB -0.443 18.545 19.000 -0.021 0.000 0.810 539 A HN 0.610 nan 8.150 nan 0.000 0.445 540 D N -0.287 120.102 120.400 -0.019 0.000 2.348 540 D HA 0.034 4.674 4.640 -0.000 0.000 0.216 540 D C 0.374 176.673 176.300 -0.002 0.000 0.970 540 D CA 0.563 54.550 54.000 -0.021 0.000 0.889 540 D CB -0.070 40.708 40.800 -0.037 0.000 0.912 540 D HN 0.441 nan 8.370 nan 0.000 0.524 541 I N 1.241 121.824 120.570 0.022 0.000 2.297 541 I HA 0.007 4.177 4.170 -0.000 0.000 0.291 541 I C 1.368 177.515 176.117 0.050 0.000 1.033 541 I CA -0.444 60.894 61.300 0.063 0.000 1.253 541 I CB 2.043 40.133 38.000 0.150 0.000 1.396 541 I HN -0.286 nan 8.210 nan 0.000 0.476 542 V N 6.005 125.935 119.914 0.027 0.000 2.488 542 V HA 0.045 4.165 4.120 -0.000 0.000 0.246 542 V C 0.907 177.020 176.094 0.032 0.000 1.046 542 V CA 1.197 63.507 62.300 0.016 0.000 1.053 542 V CB -0.228 31.592 31.823 -0.005 0.000 0.679 542 V HN 0.842 nan 8.190 nan 0.000 0.458 543 A N -1.461 121.387 122.820 0.046 0.000 2.547 543 A HA 0.622 4.941 4.320 -0.000 0.000 0.297 543 A C -2.027 175.623 177.584 0.109 0.000 1.056 543 A CA -0.393 51.682 52.037 0.062 0.000 0.688 543 A CB 1.620 20.627 19.000 0.012 0.000 1.282 543 A HN 0.230 nan 8.150 nan 0.000 0.400 544 W N 3.223 124.510 121.300 -0.020 0.000 2.900 544 W HA 0.558 5.218 4.660 -0.001 0.000 0.336 544 W C -0.938 175.600 176.519 0.032 0.000 1.064 544 W CA -0.177 57.162 57.345 -0.010 0.000 1.237 544 W CB 1.781 31.226 29.460 -0.024 0.000 1.391 544 W HN 1.059 nan 8.180 nan 0.000 0.468 545 E N 1.451 121.678 120.200 0.044 0.000 2.435 545 E HA 0.192 4.542 4.350 -0.000 0.000 0.272 545 E C -0.724 175.957 176.600 0.134 0.000 1.031 545 E CA -0.529 55.972 56.400 0.167 0.000 0.872 545 E CB 1.468 31.224 29.700 0.094 0.000 1.588 545 E HN 0.196 nan 8.360 nan 0.000 0.460 546 D N -0.356 120.112 120.400 0.113 0.000 2.219 546 D HA -0.103 4.537 4.640 -0.000 0.000 0.205 546 D C 1.554 177.742 176.300 -0.188 0.000 0.970 546 D CA 2.302 56.318 54.000 0.027 0.000 0.851 546 D CB 0.244 41.043 40.800 -0.002 0.000 0.943 546 D HN 0.532 nan 8.370 nan 0.000 0.488 547 T N -3.421 111.077 114.554 -0.094 0.000 3.023 547 T HA 0.143 4.493 4.350 -0.000 0.000 0.253 547 T C 0.519 175.234 174.700 0.024 0.000 1.038 547 T CA -0.502 61.507 62.100 -0.151 0.000 0.962 547 T CB 0.472 69.300 68.868 -0.067 0.000 1.018 547 T HN 0.081 nan 8.240 nan 0.000 0.521 548 Q N 0.071 119.957 119.800 0.143 0.000 2.352 548 Q HA 0.604 4.944 4.340 -0.000 0.000 0.270 548 Q C -2.209 173.722 176.000 -0.116 0.000 1.006 548 Q CA -0.772 55.074 55.803 0.071 0.000 0.880 548 Q CB 1.941 30.674 28.738 -0.009 0.000 1.392 548 Q HN 0.421 nan 8.270 nan 0.000 0.401 549 I N 2.747 123.129 120.570 -0.313 0.000 2.465 549 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 549 I C -0.680 175.274 176.117 -0.272 0.000 1.014 549 I CA -0.579 60.430 61.300 -0.485 0.000 1.093 549 I CB 2.175 39.602 38.000 -0.955 0.000 1.267 549 I HN 0.520 nan 8.210 nan 0.000 0.431 550 Q N 4.996 124.701 119.800 -0.160 0.000 2.331 550 Q HA 0.689 5.029 4.340 -0.000 0.000 0.267 550 Q C -1.355 174.606 176.000 -0.064 0.000 1.006 550 Q CA -0.583 55.162 55.803 -0.097 0.000 0.818 550 Q CB 3.333 32.037 28.738 -0.057 0.000 1.276 550 Q HN 0.477 nan 8.270 nan 0.000 0.450 551 V N 2.622 122.504 119.914 -0.054 0.000 2.888 551 V HA 0.400 4.520 4.120 -0.000 0.000 0.309 551 V C -1.480 174.609 176.094 -0.008 0.000 1.114 551 V CA -0.773 61.519 62.300 -0.015 0.000 0.940 551 V CB 2.297 34.116 31.823 -0.007 0.000 1.021 551 V HN 0.661 nan 8.190 nan 0.000 0.426 552 K N 5.740 126.123 120.400 -0.028 0.000 2.276 552 K HA 0.502 4.822 4.320 -0.000 0.000 0.283 552 K C -0.322 176.176 176.600 -0.170 0.000 1.044 552 K CA -0.227 56.017 56.287 -0.072 0.000 0.944 552 K CB 1.057 33.514 32.500 -0.072 0.000 1.012 552 K HN 0.603 nan 8.250 nan 0.000 0.472 553 I N 6.226 126.644 120.570 -0.253 0.000 2.752 553 I HA -0.040 4.129 4.170 -0.000 0.000 0.289 553 I C -1.522 174.293 176.117 -0.503 0.000 1.197 553 I CA -1.251 59.690 61.300 -0.600 0.000 1.432 553 I CB -0.015 37.761 38.000 -0.372 0.000 1.359 553 I HN 0.429 nan 8.210 nan 0.000 0.571 554 P HA 0.113 nan 4.420 nan 0.000 0.276 554 P C -0.781 176.343 177.300 -0.293 0.000 1.252 554 P CA -0.633 62.250 63.100 -0.361 0.000 0.802 554 P CB 0.827 32.333 31.700 -0.323 0.000 1.035 555 A N 1.693 124.407 122.820 -0.176 0.000 2.981 555 A HA 0.379 4.699 4.320 -0.000 0.000 0.280 555 A C 0.649 178.174 177.584 -0.099 0.000 1.743 555 A CA -0.317 51.649 52.037 -0.119 0.000 1.430 555 A CB -1.581 17.375 19.000 -0.073 0.000 1.085 555 A HN 0.385 nan 8.150 nan 0.000 0.597 556 V N -0.564 119.265 119.914 -0.141 0.000 2.850 556 V HA 0.693 4.813 4.120 -0.000 0.000 0.315 556 V C -2.512 173.587 176.094 0.009 0.000 1.064 556 V CA -2.648 59.602 62.300 -0.084 0.000 0.979 556 V CB 0.736 32.401 31.823 -0.263 0.000 1.039 556 V HN 0.472 nan 8.190 nan 0.000 0.452 557 P HA 0.254 nan 4.420 nan 0.000 0.267 557 P C 0.342 177.761 177.300 0.199 0.000 1.201 557 P CA 0.491 63.675 63.100 0.140 0.000 0.775 557 P CB 0.124 31.918 31.700 0.157 0.000 0.854 558 G N 0.057 108.944 108.800 0.145 0.000 2.527 558 G HA2 0.528 4.488 3.960 -0.000 0.000 0.248 558 G HA3 0.528 4.488 3.960 -0.000 0.000 0.248 558 G C 0.037 175.063 174.900 0.210 0.000 1.231 558 G CA 0.232 45.433 45.100 0.168 0.000 0.838 558 G HN 0.804 nan 8.290 nan 0.000 0.570 559 G N -0.313 108.640 108.800 0.255 0.000 2.356 559 G HA2 0.293 4.253 3.960 -0.000 0.000 0.288 559 G HA3 0.293 4.253 3.960 -0.000 0.000 0.288 559 G C -1.262 173.746 174.900 0.180 0.000 1.302 559 G CA -0.968 44.210 45.100 0.130 0.000 0.887 559 G HN 0.604 nan 8.290 nan 0.000 0.521 560 I N 1.098 121.665 120.570 -0.006 0.000 2.352 560 I HA 0.480 4.650 4.170 -0.000 0.000 0.290 560 I C -0.530 175.529 176.117 -0.098 0.000 1.036 560 I CA -0.589 60.735 61.300 0.041 0.000 1.336 560 I CB 0.104 38.101 38.000 -0.005 0.000 1.407 560 I HN 0.399 nan 8.210 nan 0.000 0.497 561 Y N 3.543 123.988 120.300 0.242 0.000 2.562 561 Y HA 0.415 4.965 4.550 -0.000 0.000 0.343 561 Y C 0.269 176.307 175.900 0.228 0.000 1.025 561 Y CA -0.863 57.395 58.100 0.264 0.000 1.082 561 Y CB 1.491 40.192 38.460 0.402 0.000 1.264 561 Y HN 0.437 nan 8.280 nan 0.000 0.478 562 D N 2.136 122.714 120.400 0.296 0.000 2.168 562 D HA 0.432 5.072 4.640 -0.000 0.000 0.246 562 D C -0.584 175.788 176.300 0.119 0.000 1.050 562 D CA -0.092 54.014 54.000 0.177 0.000 0.857 562 D CB 1.920 42.782 40.800 0.104 0.000 1.169 562 D HN 0.364 nan 8.370 nan 0.000 0.453 563 I N 1.625 122.213 120.570 0.031 0.000 2.437 563 I HA 0.438 4.607 4.170 -0.000 0.000 0.298 563 I C 0.300 176.379 176.117 -0.063 0.000 0.984 563 I CA -0.618 60.566 61.300 -0.194 0.000 1.214 563 I CB 1.682 39.494 38.000 -0.312 0.000 1.365 563 I HN 0.061 nan 8.210 nan 0.000 0.469 564 R N 3.828 124.281 120.500 -0.077 0.000 2.668 564 R HA 0.726 5.065 4.340 -0.000 0.000 0.272 564 R C -2.099 174.214 176.300 0.022 0.000 1.019 564 R CA -0.531 55.577 56.100 0.014 0.000 0.894 564 R CB 2.287 32.619 30.300 0.053 0.000 1.228 564 R HN 0.397 nan 8.270 nan 0.000 0.460 565 V N 2.123 122.055 119.914 0.029 0.000 2.628 565 V HA 0.797 4.917 4.120 -0.000 0.000 0.306 565 V C -0.658 175.543 176.094 0.177 0.000 1.045 565 V CA -0.630 61.689 62.300 0.031 0.000 0.905 565 V CB 1.795 33.488 31.823 -0.217 0.000 0.997 565 V HN 0.910 nan 8.190 nan 0.000 0.436 566 A N 3.810 126.786 122.820 0.261 0.000 2.318 566 A HA 0.738 5.058 4.320 -0.000 0.000 0.317 566 A C -0.050 177.698 177.584 0.272 0.000 1.159 566 A CA -0.759 51.424 52.037 0.244 0.000 0.799 566 A CB 0.617 19.771 19.000 0.256 0.000 1.194 566 A HN 0.953 nan 8.150 nan 0.000 0.479 567 N N 1.886 120.741 118.700 0.257 0.000 2.317 567 N HA 0.296 5.035 4.740 -0.000 0.000 0.245 567 N C 1.070 176.604 175.510 0.040 0.000 1.294 567 N CA 0.127 53.332 53.050 0.259 0.000 0.924 567 N CB 0.349 38.988 38.487 0.253 0.000 1.186 567 N HN 0.574 nan 8.380 nan 0.000 0.495 568 A N -0.940 121.833 122.820 -0.079 0.000 2.131 568 A HA 0.026 4.346 4.320 -0.000 0.000 0.220 568 A C 1.852 179.402 177.584 -0.058 0.000 1.158 568 A CA 1.732 53.683 52.037 -0.143 0.000 0.665 568 A CB -1.211 17.680 19.000 -0.182 0.000 0.795 568 A HN 0.874 nan 8.150 nan 0.000 0.460 569 A N -2.241 120.575 122.820 -0.007 0.000 2.275 569 A HA 0.446 4.766 4.320 -0.000 0.000 0.212 569 A C 1.721 179.316 177.584 0.019 0.000 1.201 569 A CA 1.069 53.110 52.037 0.006 0.000 0.843 569 A CB -0.614 18.398 19.000 0.019 0.000 0.873 569 A HN 1.788 nan 8.150 nan 0.000 0.492 570 G N -1.775 107.044 108.800 0.032 0.000 2.175 570 G HA2 0.077 4.037 3.960 -0.000 0.000 0.244 570 G HA3 0.077 4.037 3.960 -0.000 0.000 0.244 570 G C 0.425 175.362 174.900 0.061 0.000 0.982 570 G CA 0.173 45.302 45.100 0.049 0.000 0.641 570 G HN 1.592 nan 8.290 nan 0.000 0.527 571 A N 0.191 123.052 122.820 0.067 0.000 2.409 571 A HA 0.844 5.164 4.320 -0.000 0.000 0.267 571 A C 0.754 178.394 177.584 0.093 0.000 1.127 571 A CA 1.055 53.132 52.037 0.067 0.000 0.795 571 A CB 0.586 19.624 19.000 0.063 0.000 1.061 571 A HN 2.031 nan 8.150 nan 0.000 0.502 572 A N 2.586 125.449 122.820 0.072 0.000 2.295 572 A HA 0.715 5.035 4.320 -0.000 0.000 0.318 572 A C 0.813 178.439 177.584 0.070 0.000 1.134 572 A CA 0.106 52.191 52.037 0.081 0.000 0.827 572 A CB 0.419 19.442 19.000 0.037 0.000 1.136 572 A HN 1.690 nan 8.150 nan 0.000 0.493 573 S N 1.532 117.284 115.700 0.086 0.000 2.671 573 S HA 0.328 4.797 4.470 -0.000 0.000 0.272 573 S C 0.327 174.959 174.600 0.052 0.000 1.174 573 S CA -0.500 57.748 58.200 0.079 0.000 1.004 573 S CB 0.088 63.361 63.200 0.122 0.000 1.077 573 S HN 0.935 nan 8.310 nan 0.000 0.553 574 N N -0.102 118.632 118.700 0.055 0.000 2.371 574 N HA 0.135 4.874 4.740 -0.000 0.000 0.243 574 N C -0.612 174.944 175.510 0.076 0.000 1.287 574 N CA -0.361 52.722 53.050 0.056 0.000 0.911 574 N CB -0.083 38.445 38.487 0.067 0.000 1.142 574 N HN 0.693 nan 8.380 nan 0.000 0.451 575 I N 0.625 121.231 120.570 0.061 0.000 2.395 575 I HA 0.065 4.235 4.170 -0.000 0.000 0.289 575 I C -0.658 175.521 176.117 0.104 0.000 1.023 575 I CA -0.570 60.771 61.300 0.068 0.000 1.350 575 I CB 0.404 38.424 38.000 0.033 0.000 1.409 575 I HN 0.477 nan 8.210 nan 0.000 0.507 576 Y N 6.825 127.132 120.300 0.012 0.000 2.402 576 Y HA 0.220 4.770 4.550 -0.000 0.000 0.332 576 Y C -0.124 175.811 175.900 0.059 0.000 0.960 576 Y CA -1.074 57.046 58.100 0.034 0.000 1.228 576 Y CB 0.330 38.798 38.460 0.014 0.000 1.120 576 Y HN 0.611 nan 8.280 nan 0.000 0.491 577 D N 2.210 122.592 120.400 -0.029 0.000 2.451 577 D HA 0.090 4.730 4.640 -0.000 0.000 0.259 577 D C 0.130 176.489 176.300 0.098 0.000 1.201 577 D CA -0.455 53.573 54.000 0.047 0.000 1.028 577 D CB 0.340 41.133 40.800 -0.011 0.000 1.095 577 D HN 0.669 nan 8.370 nan 0.000 0.539 578 N N -1.914 116.856 118.700 0.118 0.000 2.747 578 N HA -0.232 4.508 4.740 -0.000 0.000 0.249 578 N C -1.147 174.479 175.510 0.193 0.000 1.107 578 N CA -0.279 52.839 53.050 0.113 0.000 0.707 578 N CB -1.111 37.403 38.487 0.046 0.000 1.054 578 N HN 0.394 nan 8.380 nan 0.000 0.555 579 F N 2.015 122.077 119.950 0.186 0.000 2.412 579 F HA 0.295 4.822 4.527 -0.001 0.000 0.348 579 F C 0.557 176.498 175.800 0.234 0.000 1.102 579 F CA -0.081 58.053 58.000 0.224 0.000 1.196 579 F CB 0.887 40.056 39.000 0.283 0.000 1.144 579 F HN 0.087 nan 8.300 nan 0.000 0.541 580 E N 5.437 125.328 120.200 -0.515 0.000 2.092 580 E HA 0.394 4.744 4.350 -0.000 0.000 0.271 580 E C -1.529 174.939 176.600 -0.219 0.000 0.919 580 E CA -0.736 55.549 56.400 -0.193 0.000 0.760 580 E CB 1.171 30.765 29.700 -0.176 0.000 1.106 580 E HN 0.510 nan 8.360 nan 0.000 0.408 581 V N 6.368 126.379 119.914 0.160 0.000 2.461 581 V HA 0.203 4.323 4.120 -0.000 0.000 0.275 581 V C 0.368 176.509 176.094 0.078 0.000 1.047 581 V CA -0.406 61.984 62.300 0.149 0.000 0.955 581 V CB 0.738 32.635 31.823 0.123 0.000 0.988 581 V HN 0.663 nan 8.190 nan 0.000 0.471 582 L N 3.861 125.095 121.223 0.020 0.000 2.421 582 L HA 0.320 4.660 4.340 -0.000 0.000 0.263 582 L C 1.677 178.560 176.870 0.021 0.000 1.122 582 L CA -0.283 54.563 54.840 0.011 0.000 0.804 582 L CB 0.825 42.876 42.059 -0.013 0.000 1.150 582 L HN 0.639 nan 8.230 nan 0.000 0.457 583 T N 0.198 114.765 114.554 0.023 0.000 2.915 583 T HA 0.110 4.460 4.350 -0.000 0.000 0.269 583 T C 0.653 175.361 174.700 0.013 0.000 1.071 583 T CA 1.018 63.131 62.100 0.023 0.000 1.132 583 T CB -0.033 68.849 68.868 0.023 0.000 0.878 583 T HN 0.911 nan 8.240 nan 0.000 0.479 584 G N -0.094 108.711 108.800 0.008 0.000 2.336 584 G HA2 0.260 4.219 3.960 -0.000 0.000 0.286 584 G HA3 0.260 4.219 3.960 -0.000 0.000 0.286 584 G C -2.098 172.804 174.900 0.003 0.000 1.269 584 G CA -0.859 44.244 45.100 0.005 0.000 0.873 584 G HN 0.016 nan 8.290 nan 0.000 0.494 585 D N 0.653 121.056 120.400 0.004 0.000 2.382 585 D HA 0.334 4.974 4.640 -0.000 0.000 0.240 585 D C -0.017 176.287 176.300 0.005 0.000 1.146 585 D CA 0.479 54.479 54.000 0.001 0.000 0.897 585 D CB 0.860 41.662 40.800 0.004 0.000 1.197 585 D HN 0.213 nan 8.370 nan 0.000 0.432 586 Q N 0.150 119.949 119.800 -0.002 0.000 2.297 586 Q HA 0.598 4.937 4.340 -0.000 0.000 0.268 586 Q C -0.393 175.623 176.000 0.027 0.000 1.045 586 Q CA -0.981 54.828 55.803 0.010 0.000 0.861 586 Q CB 2.234 30.965 28.738 -0.011 0.000 1.344 586 Q HN 0.308 nan 8.270 nan 0.000 0.452 587 V N -2.343 117.605 119.914 0.057 0.000 2.971 587 V HA 0.636 4.756 4.120 -0.000 0.000 0.309 587 V C -0.370 175.793 176.094 0.115 0.000 1.130 587 V CA -0.921 61.432 62.300 0.088 0.000 0.964 587 V CB 1.809 33.692 31.823 0.099 0.000 1.029 587 V HN 0.679 nan 8.190 nan 0.000 0.427 588 T N 2.870 117.519 114.554 0.157 0.000 2.806 588 T HA 0.660 5.009 4.350 -0.000 0.000 0.290 588 T C -0.221 174.573 174.700 0.156 0.000 0.966 588 T CA -0.282 61.932 62.100 0.192 0.000 1.060 588 T CB 1.377 70.428 68.868 0.304 0.000 0.927 588 T HN 0.705 nan 8.240 nan 0.000 0.485 589 V N 3.614 123.594 119.914 0.110 0.000 2.604 589 V HA 0.498 4.618 4.120 -0.000 0.000 0.305 589 V C 0.204 176.248 176.094 -0.083 0.000 1.043 589 V CA -1.121 61.133 62.300 -0.077 0.000 0.888 589 V CB 1.919 33.580 31.823 -0.270 0.000 0.995 589 V HN 0.754 nan 8.190 nan 0.000 0.429 590 R N 3.302 123.735 120.500 -0.111 0.000 2.254 590 R HA 0.487 4.827 4.340 -0.000 0.000 0.318 590 R C -1.516 174.704 176.300 -0.134 0.000 1.031 590 R CA -0.236 55.889 56.100 0.041 0.000 0.905 590 R CB 0.504 30.875 30.300 0.117 0.000 1.050 590 R HN 0.531 nan 8.270 nan 0.000 0.456 591 F N 3.921 123.957 119.950 0.143 0.000 2.420 591 F HA 0.385 4.912 4.527 -0.000 0.000 0.342 591 F C -0.278 175.632 175.800 0.184 0.000 1.113 591 F CA -0.698 57.402 58.000 0.168 0.000 1.059 591 F CB 2.025 41.184 39.000 0.264 0.000 1.128 591 F HN 0.116 nan 8.300 nan 0.000 0.475 592 V N 5.622 125.649 119.914 0.189 0.000 2.483 592 V HA 0.440 4.560 4.120 -0.000 0.000 0.297 592 V C -0.624 175.406 176.094 -0.107 0.000 1.027 592 V CA -0.793 61.475 62.300 -0.053 0.000 0.855 592 V CB 1.961 33.568 31.823 -0.359 0.000 0.995 592 V HN 0.661 nan 8.190 nan 0.000 0.424 593 I N 5.182 125.646 120.570 -0.176 0.000 2.465 593 I HA 0.555 4.724 4.170 -0.000 0.000 0.291 593 I C -0.419 175.642 176.117 -0.094 0.000 1.014 593 I CA -0.289 60.842 61.300 -0.282 0.000 1.093 593 I CB 1.444 38.971 38.000 -0.790 0.000 1.267 593 I HN 0.592 nan 8.210 nan 0.000 0.431 594 N N 5.377 124.046 118.700 -0.052 0.000 2.489 594 N HA 0.334 5.074 4.740 -0.000 0.000 0.284 594 N C -0.537 174.995 175.510 0.036 0.000 1.158 594 N CA -0.484 52.561 53.050 -0.009 0.000 0.965 594 N CB 1.168 39.648 38.487 -0.012 0.000 1.195 594 N HN 0.711 nan 8.380 nan 0.000 0.506 595 N N -1.009 117.687 118.700 -0.007 0.000 2.758 595 N HA -0.198 4.541 4.740 -0.000 0.000 0.248 595 N C -1.013 174.451 175.510 -0.077 0.000 1.076 595 N CA 0.330 53.362 53.050 -0.030 0.000 0.696 595 N CB -0.850 37.662 38.487 0.042 0.000 0.979 595 N HN 0.596 nan 8.380 nan 0.000 0.550 596 A N 0.848 123.587 122.820 -0.134 0.000 2.969 596 A HA 0.425 4.744 4.320 -0.000 0.000 0.328 596 A C 0.762 178.203 177.584 -0.239 0.000 1.355 596 A CA -0.282 51.524 52.037 -0.385 0.000 1.018 596 A CB -0.058 18.705 19.000 -0.395 0.000 1.159 596 A HN 0.325 nan 8.150 nan 0.000 0.505 597 T N 0.325 114.728 114.554 -0.252 0.000 2.926 597 T HA 0.506 4.856 4.350 -0.000 0.000 0.307 597 T C 0.505 175.248 174.700 0.072 0.000 1.059 597 T CA 0.420 62.499 62.100 -0.035 0.000 1.122 597 T CB 0.818 69.665 68.868 -0.034 0.000 0.972 597 T HN 0.864 nan 8.240 nan 0.000 0.545 598 T N -1.178 113.565 114.554 0.315 0.000 2.804 598 T HA 0.818 5.168 4.350 -0.000 0.000 0.290 598 T C -0.299 174.471 174.700 0.115 0.000 1.099 598 T CA -0.755 61.428 62.100 0.139 0.000 1.011 598 T CB 1.385 70.358 68.868 0.174 0.000 1.291 598 T HN 1.075 nan 8.240 nan 0.000 0.523 599 A N 0.152 123.005 122.820 0.055 0.000 2.312 599 A HA 0.802 5.121 4.320 -0.000 0.000 0.310 599 A C -0.219 177.381 177.584 0.026 0.000 1.139 599 A CA -1.083 50.975 52.037 0.035 0.000 0.886 599 A CB 0.553 19.567 19.000 0.023 0.000 1.350 599 A HN 1.061 nan 8.150 nan 0.000 0.479 600 L N 0.470 121.700 121.223 0.012 0.000 2.490 600 L HA 0.397 4.737 4.340 -0.000 0.000 0.274 600 L C 1.357 178.241 176.870 0.024 0.000 1.201 600 L CA 1.661 56.506 54.840 0.008 0.000 0.869 600 L CB 0.409 42.469 42.059 0.003 0.000 1.123 600 L HN 1.483 nan 8.230 nan 0.000 0.484 601 G N 2.588 111.409 108.800 0.035 0.000 2.184 601 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.264 601 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.264 601 G C 0.216 175.154 174.900 0.063 0.000 0.975 601 G CA 0.545 45.675 45.100 0.049 0.000 0.642 601 G HN 0.688 nan 8.290 nan 0.000 0.536 602 Q N 0.345 120.181 119.800 0.060 0.000 2.256 602 Q HA 0.595 4.935 4.340 -0.000 0.000 0.257 602 Q C -0.467 175.562 176.000 0.048 0.000 0.936 602 Q CA -0.742 55.090 55.803 0.048 0.000 0.903 602 Q CB 0.599 29.347 28.738 0.016 0.000 1.263 602 Q HN 0.341 nan 8.270 nan 0.000 0.440 603 N N 1.469 120.166 118.700 -0.005 0.000 2.455 603 N HA 0.439 5.179 4.740 -0.000 0.000 0.278 603 N C -1.479 173.725 175.510 -0.511 0.000 1.291 603 N CA -0.424 52.487 53.050 -0.231 0.000 0.780 603 N CB 2.153 40.572 38.487 -0.114 0.000 1.520 603 N HN 0.297 nan 8.380 nan 0.000 0.486 604 V N 1.462 120.695 119.914 -1.134 0.000 2.612 604 V HA 0.592 4.712 4.120 -0.000 0.000 0.301 604 V C -0.725 174.895 176.094 -0.791 0.000 1.046 604 V CA -0.246 61.546 62.300 -0.848 0.000 0.946 604 V CB 0.666 31.731 31.823 -1.262 0.000 1.003 604 V HN 0.479 nan 8.190 nan 0.000 0.459 605 F N 3.093 122.923 119.950 -0.200 0.000 2.629 605 F HA 0.748 5.275 4.527 -0.000 0.000 0.316 605 F C -0.501 175.256 175.800 -0.071 0.000 1.081 605 F CA -0.850 57.048 58.000 -0.170 0.000 0.954 605 F CB 1.963 40.846 39.000 -0.195 0.000 1.337 605 F HN 0.332 nan 8.300 nan 0.000 0.474 606 L N 0.972 122.204 121.223 0.014 0.000 2.362 606 L HA 0.875 5.215 4.340 -0.000 0.000 0.271 606 L C -0.595 176.167 176.870 -0.180 0.000 1.002 606 L CA 0.135 54.852 54.840 -0.205 0.000 0.818 606 L CB 2.020 43.810 42.059 -0.448 0.000 1.298 606 L HN 0.666 nan 8.230 nan 0.000 0.420 607 T N 2.215 116.669 114.554 -0.167 0.000 2.816 607 T HA 0.939 5.288 4.350 -0.000 0.000 0.299 607 T C -0.717 173.822 174.700 -0.268 0.000 1.230 607 T CA 0.013 62.025 62.100 -0.146 0.000 1.007 607 T CB 1.478 70.361 68.868 0.024 0.000 1.289 607 T HN 1.191 nan 8.240 nan 0.000 0.508 608 G N 0.606 109.046 108.800 -0.600 0.000 2.427 608 G HA2 0.262 4.221 3.960 -0.000 0.000 0.306 608 G HA3 0.262 4.221 3.960 -0.000 0.000 0.306 608 G C -0.506 173.574 174.900 -1.366 0.000 1.280 608 G CA -0.037 44.356 45.100 -1.179 0.000 0.837 608 G HN 0.949 nan 8.290 nan 0.000 0.482 609 N N -1.291 116.797 118.700 -1.020 0.000 2.322 609 N HA 0.289 5.029 4.740 -0.000 0.000 0.216 609 N C 0.341 175.706 175.510 -0.241 0.000 1.144 609 N CA 0.087 52.763 53.050 -0.624 0.000 0.830 609 N CB 0.478 38.919 38.487 -0.076 0.000 1.034 609 N HN 0.607 nan 8.380 nan 0.000 0.484 610 V N -3.681 116.100 119.914 -0.222 0.000 3.074 610 V HA 0.430 4.550 4.120 -0.000 0.000 0.314 610 V C 1.240 177.280 176.094 -0.090 0.000 1.117 610 V CA -0.731 61.513 62.300 -0.094 0.000 1.014 610 V CB 1.357 33.152 31.823 -0.046 0.000 1.057 610 V HN 0.139 nan 8.190 nan 0.000 0.438 611 S N 0.199 115.878 115.700 -0.034 0.000 2.399 611 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 611 S C 1.346 175.927 174.600 -0.031 0.000 1.022 611 S CA 1.608 59.795 58.200 -0.021 0.000 0.983 611 S CB -0.590 62.621 63.200 0.019 0.000 0.803 611 S HN 0.899 nan 8.310 nan 0.000 0.480 612 E N 1.409 121.592 120.200 -0.029 0.000 2.204 612 E HA 0.086 4.436 4.350 -0.000 0.000 0.195 612 E C 1.544 178.113 176.600 -0.051 0.000 0.990 612 E CA 0.703 57.088 56.400 -0.024 0.000 0.821 612 E CB -0.346 29.350 29.700 -0.007 0.000 0.750 612 E HN 0.526 nan 8.360 nan 0.000 0.477 613 L N -1.155 120.007 121.223 -0.101 0.000 2.628 613 L HA 0.252 4.592 4.340 -0.000 0.000 0.229 613 L C 0.940 177.725 176.870 -0.141 0.000 1.137 613 L CA 0.260 55.006 54.840 -0.158 0.000 0.909 613 L CB 0.203 42.115 42.059 -0.246 0.000 1.137 613 L HN 0.342 nan 8.230 nan 0.000 0.470 614 G N 0.366 109.110 108.800 -0.093 0.000 2.132 614 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.234 614 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.234 614 G C 0.346 175.216 174.900 -0.050 0.000 0.989 614 G CA 0.175 45.241 45.100 -0.057 0.000 0.676 614 G HN 0.556 nan 8.290 nan 0.000 0.522 615 N N -1.420 117.214 118.700 -0.111 0.000 2.698 615 N HA -0.243 4.496 4.740 -0.000 0.000 0.258 615 N C 0.974 176.507 175.510 0.037 0.000 0.978 615 N CA 1.510 54.493 53.050 -0.111 0.000 0.777 615 N CB -1.085 37.401 38.487 -0.002 0.000 0.907 615 N HN 1.022 nan 8.380 nan 0.000 0.543 616 W N -3.471 117.883 121.300 0.090 0.000 2.303 616 W HA -0.270 4.390 4.660 -0.001 0.000 0.267 616 W C 0.335 176.971 176.519 0.195 0.000 1.054 616 W CA 0.341 57.783 57.345 0.162 0.000 0.501 616 W CB -1.299 28.222 29.460 0.103 0.000 2.076 616 W HN 0.362 nan 8.180 nan 0.000 1.317 617 D N -0.028 120.528 120.400 0.259 0.000 2.274 617 D HA 0.249 4.888 4.640 -0.000 0.000 0.239 617 D C -0.996 175.355 176.300 0.084 0.000 1.104 617 D CA -2.237 51.872 54.000 0.182 0.000 0.840 617 D CB 1.471 42.330 40.800 0.099 0.000 1.100 617 D HN -0.255 nan 8.370 nan 0.000 0.477 618 P HA -0.124 nan 4.420 nan 0.000 0.216 618 P C 0.501 177.683 177.300 -0.196 0.000 1.150 618 P CA 1.139 64.150 63.100 -0.149 0.000 0.843 618 P CB 0.217 31.813 31.700 -0.172 0.000 0.787 619 N N -1.335 117.297 118.700 -0.113 0.000 2.453 619 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 619 N C 0.670 176.120 175.510 -0.100 0.000 1.041 619 N CA 0.826 53.803 53.050 -0.120 0.000 0.900 619 N CB -0.534 37.913 38.487 -0.066 0.000 0.961 619 N HN 0.244 nan 8.380 nan 0.000 0.443 620 N N -0.473 118.184 118.700 -0.070 0.000 2.234 620 N HA 0.277 5.017 4.740 -0.000 0.000 0.227 620 N C -0.739 174.745 175.510 -0.043 0.000 1.151 620 N CA -0.297 52.727 53.050 -0.043 0.000 0.865 620 N CB 0.780 39.254 38.487 -0.020 0.000 1.066 620 N HN 0.106 nan 8.380 nan 0.000 0.515 621 A N 0.710 123.480 122.820 -0.083 0.000 2.425 621 A HA 0.253 4.573 4.320 -0.000 0.000 0.242 621 A C 0.156 177.784 177.584 0.074 0.000 1.077 621 A CA -0.164 51.849 52.037 -0.040 0.000 0.781 621 A CB 0.246 19.183 19.000 -0.104 0.000 1.020 621 A HN 0.111 nan 8.150 nan 0.000 0.494 622 I N 1.747 122.340 120.570 0.039 0.000 2.452 622 I HA 0.496 4.666 4.170 -0.000 0.000 0.287 622 I C 1.047 177.116 176.117 -0.080 0.000 1.079 622 I CA 1.433 62.738 61.300 0.008 0.000 1.387 622 I CB -0.587 37.384 38.000 -0.049 0.000 1.404 622 I HN 1.009 nan 8.210 nan 0.000 0.522 623 G N 8.510 117.197 108.800 -0.189 0.000 2.302 623 G HA2 0.077 4.037 3.960 -0.000 0.000 0.264 623 G HA3 0.077 4.037 3.960 -0.000 0.000 0.264 623 G C -3.082 171.628 174.900 -0.315 0.000 1.335 623 G CA -0.863 43.835 45.100 -0.669 0.000 0.982 623 G HN 0.426 nan 8.290 nan 0.000 0.473 624 P HA 0.255 nan 4.420 nan 0.000 0.265 624 P C 0.269 177.128 177.300 -0.735 0.000 1.187 624 P CA 0.255 62.750 63.100 -1.009 0.000 0.766 624 P CB 0.343 31.739 31.700 -0.506 0.000 0.820 625 M N 1.966 121.168 119.600 -0.663 0.000 2.157 625 M HA 0.146 4.626 4.480 -0.000 0.000 0.304 625 M C 0.321 176.668 176.300 0.078 0.000 1.171 625 M CA 0.203 55.251 55.300 -0.421 0.000 1.157 625 M CB 0.009 32.551 32.600 -0.096 0.000 1.403 625 M HN 0.274 nan 8.290 nan 0.000 0.473 626 Y N 0.708 121.013 120.300 0.009 0.000 2.374 626 Y HA 0.268 4.818 4.550 -0.000 0.000 0.322 626 Y C 0.714 176.417 175.900 -0.328 0.000 1.275 626 Y CA -1.355 56.585 58.100 -0.268 0.000 1.307 626 Y CB 0.444 38.481 38.460 -0.704 0.000 1.282 626 Y HN 0.698 nan 8.280 nan 0.000 0.509 627 N N -1.445 117.175 118.700 -0.132 0.000 2.261 627 N HA 0.128 4.867 4.740 -0.000 0.000 0.241 627 N C -0.363 175.100 175.510 -0.079 0.000 1.374 627 N CA -0.027 52.896 53.050 -0.211 0.000 0.802 627 N CB 0.464 38.406 38.487 -0.909 0.000 1.339 627 N HN 0.579 nan 8.380 nan 0.000 0.498 628 Q N 0.001 119.805 119.800 0.008 0.000 2.644 628 Q HA 0.234 4.574 4.340 -0.000 0.000 0.220 628 Q C 1.666 177.618 176.000 -0.080 0.000 0.866 628 Q CA 0.282 56.051 55.803 -0.057 0.000 0.915 628 Q CB 0.644 29.322 28.738 -0.100 0.000 1.191 628 Q HN 0.082 nan 8.270 nan 0.000 0.641 629 V N 0.317 120.162 119.914 -0.114 0.000 2.284 629 V HA -0.123 3.997 4.120 -0.000 0.000 0.236 629 V C 2.076 177.811 176.094 -0.599 0.000 1.044 629 V CA 1.274 63.365 62.300 -0.349 0.000 1.019 629 V CB -0.462 31.113 31.823 -0.413 0.000 0.657 629 V HN 0.120 nan 8.190 nan 0.000 0.465 630 V N -1.593 117.786 119.914 -0.891 0.000 2.427 630 V HA -0.107 4.013 4.120 -0.000 0.000 0.248 630 V C 0.665 176.188 176.094 -0.951 0.000 1.051 630 V CA 1.530 63.142 62.300 -1.146 0.000 1.048 630 V CB -0.651 30.253 31.823 -1.531 0.000 0.666 630 V HN 0.511 nan 8.190 nan 0.000 0.456 631 Y N -1.850 118.128 120.300 -0.536 0.000 2.609 631 Y HA 0.678 5.227 4.550 -0.000 0.000 0.342 631 Y C -0.268 175.590 175.900 -0.071 0.000 1.058 631 Y CA -1.219 56.753 58.100 -0.214 0.000 1.055 631 Y CB 1.704 40.092 38.460 -0.120 0.000 1.292 631 Y HN -0.050 nan 8.280 nan 0.000 0.476 632 Q N 0.151 120.017 119.800 0.110 0.000 2.387 632 Q HA 0.330 4.670 4.340 -0.000 0.000 0.273 632 Q C -1.511 174.490 176.000 0.001 0.000 1.089 632 Q CA -1.068 54.755 55.803 0.034 0.000 0.824 632 Q CB 1.697 30.441 28.738 0.009 0.000 1.367 632 Q HN 0.569 nan 8.270 nan 0.000 0.443 633 Y N 3.685 123.857 120.300 -0.213 0.000 2.811 633 Y HA 0.019 4.568 4.550 -0.000 0.000 0.334 633 Y C -1.249 174.589 175.900 -0.102 0.000 1.247 633 Y CA -0.624 57.309 58.100 -0.277 0.000 1.526 633 Y CB 0.710 38.969 38.460 -0.334 0.000 1.284 633 Y HN 0.545 nan 8.280 nan 0.000 0.586 634 P HA 0.050 nan 4.420 nan 0.000 0.255 634 P C -0.700 176.474 177.300 -0.210 0.000 1.427 634 P CA 0.108 62.688 63.100 -0.868 0.000 0.863 634 P CB -0.126 31.049 31.700 -0.875 0.000 1.444 635 T N 0.723 115.202 114.554 -0.124 0.000 2.806 635 T HA 0.308 4.658 4.350 -0.000 0.000 0.290 635 T C -0.712 174.016 174.700 0.046 0.000 0.966 635 T CA 0.114 62.222 62.100 0.013 0.000 1.060 635 T CB 0.645 69.513 68.868 -0.000 0.000 0.927 635 T HN 0.050 nan 8.240 nan 0.000 0.485 636 W N 3.006 124.304 121.300 -0.003 0.000 2.761 636 W HA 0.627 5.287 4.660 -0.000 0.000 0.340 636 W C -0.729 175.858 176.519 0.113 0.000 1.072 636 W CA -0.915 56.470 57.345 0.067 0.000 1.215 636 W CB 1.088 30.532 29.460 -0.027 0.000 1.420 636 W HN 0.710 nan 8.180 nan 0.000 0.519 637 Y N -0.290 120.179 120.300 0.282 0.000 2.615 637 Y HA 0.819 5.369 4.550 -0.000 0.000 0.341 637 Y C -1.914 174.221 175.900 0.392 0.000 1.089 637 Y CA -2.751 55.492 58.100 0.237 0.000 1.049 637 Y CB 1.702 40.275 38.460 0.188 0.000 1.296 637 Y HN 0.527 nan 8.280 nan 0.000 0.470 638 Y N 0.393 120.828 120.300 0.224 0.000 2.521 638 Y HA 0.316 4.865 4.550 -0.000 0.000 0.326 638 Y C -1.843 174.225 175.900 0.280 0.000 1.176 638 Y CA -1.115 57.037 58.100 0.087 0.000 1.079 638 Y CB 1.737 40.180 38.460 -0.028 0.000 1.341 638 Y HN 0.772 nan 8.280 nan 0.000 0.456 639 D N 4.082 124.441 120.400 -0.069 0.000 2.280 639 D HA 0.508 5.147 4.640 -0.000 0.000 0.236 639 D C -1.067 175.306 176.300 0.121 0.000 1.082 639 D CA 0.015 54.095 54.000 0.134 0.000 0.834 639 D CB 2.111 43.022 40.800 0.184 0.000 1.100 639 D HN 0.189 nan 8.370 nan 0.000 0.486 640 V N 1.361 121.442 119.914 0.278 0.000 2.588 640 V HA 0.288 4.408 4.120 -0.000 0.000 0.304 640 V C 0.242 176.473 176.094 0.228 0.000 1.042 640 V CA -0.874 61.590 62.300 0.273 0.000 0.877 640 V CB 2.105 34.125 31.823 0.329 0.000 0.996 640 V HN 0.495 nan 8.190 nan 0.000 0.425 641 S N 3.914 119.707 115.700 0.156 0.000 2.505 641 S HA 0.641 5.111 4.470 -0.000 0.000 0.276 641 S C -0.427 174.234 174.600 0.101 0.000 1.274 641 S CA -0.339 57.926 58.200 0.109 0.000 1.053 641 S CB 0.485 63.719 63.200 0.057 0.000 0.919 641 S HN 1.034 nan 8.310 nan 0.000 0.490 642 V N 2.741 122.719 119.914 0.106 0.000 3.130 642 V HA 0.800 4.919 4.120 -0.000 0.000 0.310 642 V C -2.861 173.277 176.094 0.073 0.000 1.158 642 V CA -2.767 59.589 62.300 0.094 0.000 1.029 642 V CB 1.625 33.539 31.823 0.152 0.000 1.057 642 V HN 0.671 nan 8.190 nan 0.000 0.436 643 P HA 0.312 nan 4.420 nan 0.000 0.271 643 P C -0.261 177.071 177.300 0.054 0.000 1.216 643 P CA 0.390 63.517 63.100 0.045 0.000 0.776 643 P CB 0.967 32.688 31.700 0.035 0.000 0.881 644 A N 2.483 125.328 122.820 0.042 0.000 2.351 644 A HA 0.522 4.842 4.320 -0.000 0.000 0.257 644 A C 1.327 178.928 177.584 0.028 0.000 1.087 644 A CA 0.244 52.306 52.037 0.041 0.000 0.798 644 A CB -0.945 18.075 19.000 0.032 0.000 1.033 644 A HN 0.826 nan 8.150 nan 0.000 0.488 645 G N 0.313 109.126 108.800 0.020 0.000 2.249 645 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.273 645 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.273 645 G C -0.044 174.855 174.900 -0.002 0.000 1.036 645 G CA 0.862 45.964 45.100 0.003 0.000 0.824 645 G HN 1.696 nan 8.290 nan 0.000 0.504 646 Q N -1.751 118.051 119.800 0.002 0.000 2.511 646 Q HA 0.698 5.037 4.340 -0.000 0.000 0.289 646 Q C -0.757 175.251 176.000 0.013 0.000 1.021 646 Q CA -0.848 54.960 55.803 0.008 0.000 0.785 646 Q CB 0.892 29.645 28.738 0.026 0.000 1.472 646 Q HN 0.115 nan 8.270 nan 0.000 0.411 647 T N 2.670 117.239 114.554 0.025 0.000 2.749 647 T HA 0.484 4.834 4.350 -0.000 0.000 0.295 647 T C 0.252 175.021 174.700 0.116 0.000 0.936 647 T CA -0.493 61.640 62.100 0.055 0.000 1.060 647 T CB -0.175 68.721 68.868 0.046 0.000 0.904 647 T HN 0.485 nan 8.240 nan 0.000 0.500 648 I N 0.074 120.761 120.570 0.196 0.000 2.707 648 I HA 0.730 4.900 4.170 -0.000 0.000 0.309 648 I C -0.201 176.120 176.117 0.341 0.000 1.001 648 I CA -1.094 60.338 61.300 0.221 0.000 1.129 648 I CB 1.772 39.893 38.000 0.202 0.000 1.308 648 I HN 0.397 nan 8.210 nan 0.000 0.466 649 E N 3.011 123.383 120.200 0.286 0.000 2.227 649 E HA 0.708 5.058 4.350 -0.000 0.000 0.268 649 E C -1.504 175.281 176.600 0.309 0.000 0.907 649 E CA -0.608 55.990 56.400 0.330 0.000 0.786 649 E CB 2.550 32.472 29.700 0.369 0.000 1.191 649 E HN 0.592 nan 8.360 nan 0.000 0.411 650 F N -0.764 119.252 119.950 0.111 0.000 2.773 650 F HA 0.646 5.173 4.527 -0.000 0.000 0.314 650 F C -1.445 174.451 175.800 0.160 0.000 1.160 650 F CA -1.100 56.871 58.000 -0.049 0.000 0.920 650 F CB 1.434 40.297 39.000 -0.229 0.000 1.323 650 F HN 0.131 nan 8.300 nan 0.000 0.457 651 K N 0.652 121.202 120.400 0.250 0.000 2.556 651 K HA 0.585 4.905 4.320 -0.000 0.000 0.274 651 K C -2.077 174.557 176.600 0.057 0.000 0.966 651 K CA -0.751 55.645 56.287 0.182 0.000 0.865 651 K CB 2.843 35.605 32.500 0.437 0.000 1.444 651 K HN 0.570 nan 8.250 nan 0.000 0.433 652 F N 1.945 122.020 119.950 0.208 0.000 2.440 652 F HA 0.595 5.122 4.527 -0.000 0.000 0.328 652 F C 0.152 176.069 175.800 0.194 0.000 1.070 652 F CA -0.763 57.356 58.000 0.198 0.000 1.011 652 F CB 1.090 40.247 39.000 0.261 0.000 1.226 652 F HN 0.280 nan 8.300 nan 0.000 0.491 653 L N -0.918 120.516 121.223 0.351 0.000 2.469 653 L HA 0.696 5.035 4.340 -0.000 0.000 0.256 653 L C -1.613 175.361 176.870 0.174 0.000 1.006 653 L CA -1.227 53.728 54.840 0.191 0.000 0.832 653 L CB 2.238 44.061 42.059 -0.393 0.000 1.421 653 L HN 0.413 nan 8.230 nan 0.000 0.410 654 K N 1.209 121.667 120.400 0.096 0.000 2.164 654 K HA 0.603 4.923 4.320 -0.000 0.000 0.258 654 K C -1.155 175.435 176.600 -0.017 0.000 0.951 654 K CA -0.783 55.489 56.287 -0.025 0.000 0.844 654 K CB 2.158 34.583 32.500 -0.125 0.000 1.099 654 K HN 0.495 nan 8.250 nan 0.000 0.435 655 K N 1.996 122.424 120.400 0.047 0.000 2.507 655 K HA 0.124 4.444 4.320 -0.000 0.000 0.252 655 K C -1.322 175.290 176.600 0.021 0.000 0.943 655 K CA -0.610 55.652 56.287 -0.041 0.000 0.808 655 K CB 1.533 33.880 32.500 -0.254 0.000 1.142 655 K HN 0.302 nan 8.250 nan 0.000 0.426 656 Q N 3.100 122.894 119.800 -0.010 0.000 2.454 656 Q HA 0.254 4.594 4.340 -0.000 0.000 0.255 656 Q C 0.352 176.348 176.000 -0.008 0.000 1.034 656 Q CA 0.484 56.293 55.803 0.010 0.000 0.736 656 Q CB 1.116 29.859 28.738 0.008 0.000 1.210 656 Q HN 0.909 nan 8.270 nan 0.000 0.500 657 G N 3.239 112.035 108.800 -0.007 0.000 2.634 657 G HA2 -0.463 3.496 3.960 -0.000 0.000 0.318 657 G HA3 -0.463 3.496 3.960 -0.000 0.000 0.318 657 G C 0.873 175.743 174.900 -0.050 0.000 1.207 657 G CA 1.180 46.268 45.100 -0.020 0.000 0.987 657 G HN 0.879 nan 8.290 nan 0.000 0.547 658 S N -0.538 115.141 115.700 -0.034 0.000 2.402 658 S HA 0.171 4.641 4.470 -0.000 0.000 0.229 658 S C 1.181 175.759 174.600 -0.038 0.000 1.021 658 S CA 1.973 60.152 58.200 -0.035 0.000 0.974 658 S CB -0.265 62.925 63.200 -0.017 0.000 0.800 658 S HN 1.084 nan 8.310 nan 0.000 0.484 659 T N 2.573 117.108 114.554 -0.032 0.000 2.806 659 T HA 0.563 4.913 4.350 -0.000 0.000 0.290 659 T C -0.572 174.096 174.700 -0.052 0.000 0.966 659 T CA -0.488 61.599 62.100 -0.021 0.000 1.060 659 T CB 1.702 70.570 68.868 -0.002 0.000 0.927 659 T HN 0.030 nan 8.240 nan 0.000 0.485 660 V N 3.976 123.859 119.914 -0.052 0.000 2.384 660 V HA 0.403 4.523 4.120 -0.000 0.000 0.287 660 V C 0.162 176.221 176.094 -0.057 0.000 1.020 660 V CA -0.621 61.597 62.300 -0.136 0.000 0.850 660 V CB 1.799 33.502 31.823 -0.199 0.000 0.987 660 V HN 1.009 nan 8.190 nan 0.000 0.436 661 T N 4.822 119.353 114.554 -0.038 0.000 2.821 661 T HA 0.348 4.697 4.350 -0.000 0.000 0.307 661 T C -0.462 174.342 174.700 0.173 0.000 1.034 661 T CA -0.309 61.864 62.100 0.123 0.000 0.953 661 T CB 0.233 69.195 68.868 0.156 0.000 0.968 661 T HN 0.537 nan 8.240 nan 0.000 0.462 662 W N 2.113 123.509 121.300 0.159 0.000 2.126 662 W HA 0.287 4.947 4.660 -0.000 0.000 0.346 662 W C 0.931 177.474 176.519 0.040 0.000 1.279 662 W CA -0.758 56.657 57.345 0.116 0.000 1.259 662 W CB 0.338 29.816 29.460 0.030 0.000 1.133 662 W HN 0.544 nan 8.180 nan 0.000 0.592 663 E N 0.765 120.993 120.200 0.045 0.000 2.390 663 E HA 0.292 4.641 4.350 -0.000 0.000 0.261 663 E C 0.656 177.158 176.600 -0.163 0.000 1.076 663 E CA -0.225 55.877 56.400 -0.497 0.000 0.905 663 E CB 0.569 29.867 29.700 -0.670 0.000 0.984 663 E HN 0.567 nan 8.360 nan 0.000 0.427 664 G N 0.374 109.058 108.800 -0.194 0.000 2.525 664 G HA2 0.531 4.491 3.960 -0.000 0.000 0.287 664 G HA3 0.531 4.491 3.960 -0.000 0.000 0.287 664 G C 0.241 175.063 174.900 -0.130 0.000 1.350 664 G CA 0.019 45.055 45.100 -0.107 0.000 1.039 664 G HN 0.747 nan 8.290 nan 0.000 0.513 665 G N -2.037 106.703 108.800 -0.100 0.000 2.760 665 G HA2 0.395 4.355 3.960 -0.000 0.000 0.246 665 G HA3 0.395 4.355 3.960 -0.000 0.000 0.246 665 G C 0.284 175.122 174.900 -0.103 0.000 1.359 665 G CA 0.038 45.082 45.100 -0.093 0.000 0.861 665 G HN 1.959 nan 8.290 nan 0.000 0.541 666 A N 0.009 122.775 122.820 -0.090 0.000 2.327 666 A HA 0.627 4.947 4.320 -0.000 0.000 0.255 666 A C 0.773 178.295 177.584 -0.102 0.000 1.099 666 A CA 0.163 52.144 52.037 -0.094 0.000 0.801 666 A CB 0.119 19.078 19.000 -0.068 0.000 1.062 666 A HN 1.022 nan 8.150 nan 0.000 0.496 667 N N 0.675 119.316 118.700 -0.098 0.000 2.479 667 N HA 0.165 4.905 4.740 -0.000 0.000 0.257 667 N C 0.017 175.448 175.510 -0.132 0.000 1.232 667 N CA 0.228 53.233 53.050 -0.075 0.000 0.920 667 N CB 0.371 38.875 38.487 0.028 0.000 1.105 667 N HN 0.535 nan 8.380 nan 0.000 0.444 668 R N 0.075 120.380 120.500 -0.325 0.000 2.615 668 R HA 0.384 4.724 4.340 -0.000 0.000 0.270 668 R C 0.150 176.208 176.300 -0.403 0.000 1.081 668 R CA -0.223 55.558 56.100 -0.532 0.000 1.154 668 R CB 0.467 30.033 30.300 -1.223 0.000 1.063 668 R HN 0.619 nan 8.270 nan 0.000 0.519 669 T N -1.167 113.346 114.554 -0.067 0.000 2.900 669 T HA 0.649 4.999 4.350 -0.000 0.000 0.295 669 T C -1.013 174.003 174.700 0.527 0.000 1.044 669 T CA -0.778 61.458 62.100 0.226 0.000 0.995 669 T CB 1.481 70.436 68.868 0.144 0.000 1.072 669 T HN 0.457 nan 8.240 nan 0.000 0.473 670 F N 0.726 120.908 119.950 0.385 0.000 2.615 670 F HA 0.547 5.073 4.527 -0.000 0.000 0.312 670 F C -0.959 174.948 175.800 0.178 0.000 1.119 670 F CA -0.492 57.684 58.000 0.294 0.000 0.979 670 F CB 2.129 41.345 39.000 0.360 0.000 1.266 670 F HN 0.717 nan 8.300 nan 0.000 0.444 671 T N 3.967 118.067 114.554 -0.757 0.000 2.728 671 T HA 0.377 4.727 4.350 -0.000 0.000 0.296 671 T C -0.025 174.257 174.700 -0.698 0.000 0.940 671 T CA -0.358 61.443 62.100 -0.497 0.000 1.013 671 T CB 0.468 69.139 68.868 -0.329 0.000 0.912 671 T HN 0.700 nan 8.240 nan 0.000 0.484 672 T N 3.281 117.700 114.554 -0.224 0.000 2.918 672 T HA 0.345 4.694 4.350 -0.000 0.000 0.302 672 T C -2.184 172.495 174.700 -0.035 0.000 1.045 672 T CA -1.639 60.450 62.100 -0.017 0.000 1.114 672 T CB 0.316 69.250 68.868 0.111 0.000 0.965 672 T HN 0.275 nan 8.240 nan 0.000 0.540 673 P HA 0.060 nan 4.420 nan 0.000 0.269 673 P C 1.022 178.344 177.300 0.037 0.000 1.217 673 P CA -0.214 62.910 63.100 0.040 0.000 0.783 673 P CB 0.494 32.243 31.700 0.083 0.000 0.898 674 T N -2.597 111.974 114.554 0.028 0.000 3.054 674 T HA 0.095 4.445 4.350 -0.000 0.000 0.259 674 T C 0.823 175.544 174.700 0.035 0.000 1.092 674 T CA 0.362 62.478 62.100 0.026 0.000 1.121 674 T CB -0.339 68.539 68.868 0.017 0.000 0.912 674 T HN 0.652 nan 8.240 nan 0.000 0.489 675 S N -0.945 114.783 115.700 0.046 0.000 2.596 675 S HA 0.712 5.182 4.470 -0.000 0.000 0.270 675 S C 0.164 174.810 174.600 0.076 0.000 1.155 675 S CA -0.511 57.723 58.200 0.057 0.000 0.827 675 S CB 1.420 64.647 63.200 0.046 0.000 1.130 675 S HN 1.322 nan 8.310 nan 0.000 0.467 676 G N 0.794 109.653 108.800 0.098 0.000 2.632 676 G HA2 0.203 4.163 3.960 -0.000 0.000 0.224 676 G HA3 0.203 4.163 3.960 -0.000 0.000 0.224 676 G C -0.133 174.845 174.900 0.131 0.000 1.341 676 G CA 0.155 45.323 45.100 0.114 0.000 0.880 676 G HN 2.132 nan 8.290 nan 0.000 0.566 677 T N -2.284 112.344 114.554 0.124 0.000 2.927 677 T HA 1.037 5.387 4.350 -0.000 0.000 0.286 677 T C 0.091 174.855 174.700 0.107 0.000 1.040 677 T CA 0.502 62.680 62.100 0.129 0.000 1.010 677 T CB 1.889 70.839 68.868 0.136 0.000 1.177 677 T HN 2.600 nan 8.240 nan 0.000 0.546 678 A N 0.205 123.075 122.820 0.083 0.000 2.606 678 A HA 0.742 5.061 4.320 -0.000 0.000 0.293 678 A C -0.615 176.937 177.584 -0.055 0.000 1.082 678 A CA -0.914 51.163 52.037 0.067 0.000 0.685 678 A CB 1.461 20.574 19.000 0.189 0.000 1.284 678 A HN 0.876 nan 8.150 nan 0.000 0.408 679 T N 0.863 115.367 114.554 -0.082 0.000 2.824 679 T HA 0.552 4.902 4.350 -0.000 0.000 0.282 679 T C -0.942 173.588 174.700 -0.283 0.000 0.993 679 T CA -0.343 61.664 62.100 -0.155 0.000 0.967 679 T CB 1.435 70.290 68.868 -0.021 0.000 0.960 679 T HN 0.596 nan 8.240 nan 0.000 0.441 680 V N 4.519 124.184 119.914 -0.416 0.000 2.370 680 V HA 0.512 4.632 4.120 -0.000 0.000 0.283 680 V C -0.244 175.788 176.094 -0.103 0.000 1.023 680 V CA -0.716 61.349 62.300 -0.392 0.000 0.857 680 V CB 1.318 32.778 31.823 -0.605 0.000 0.985 680 V HN 0.749 nan 8.190 nan 0.000 0.443 681 N N 4.447 123.132 118.700 -0.024 0.000 2.461 681 N HA 0.653 5.393 4.740 -0.000 0.000 0.284 681 N C -0.922 174.617 175.510 0.048 0.000 1.049 681 N CA -0.174 52.874 53.050 -0.004 0.000 0.889 681 N CB 2.103 40.581 38.487 -0.014 0.000 1.365 681 N HN 0.518 nan 8.380 nan 0.000 0.499 682 V N 0.823 120.774 119.914 0.061 0.000 3.165 682 V HA 0.739 4.859 4.120 -0.000 0.000 0.309 682 V C -0.852 175.264 176.094 0.037 0.000 1.267 682 V CA -1.003 61.353 62.300 0.093 0.000 1.067 682 V CB 2.245 34.198 31.823 0.218 0.000 1.082 682 V HN 0.497 nan 8.190 nan 0.000 0.451 683 N N 0.716 119.449 118.700 0.053 0.000 2.258 683 N HA 0.256 4.996 4.740 -0.000 0.000 0.299 683 N C -1.108 174.455 175.510 0.088 0.000 1.047 683 N CA -0.284 52.802 53.050 0.060 0.000 0.814 683 N CB 2.413 40.936 38.487 0.060 0.000 1.413 683 N HN 1.051 nan 8.380 nan 0.000 0.478 684 W N 3.005 124.277 121.300 -0.046 0.000 2.505 684 W HA -0.015 4.645 4.660 -0.000 0.000 0.332 684 W C -0.585 175.948 176.519 0.023 0.000 1.434 684 W CA 0.339 57.673 57.345 -0.018 0.000 1.320 684 W CB 0.239 29.674 29.460 -0.042 0.000 1.363 684 W HN 0.389 nan 8.180 nan 0.000 0.565 685 Q N 7.893 127.390 119.800 -0.505 0.000 2.337 685 Q HA 0.172 4.512 4.340 -0.000 0.000 0.255 685 Q C -1.832 173.855 176.000 -0.521 0.000 0.997 685 Q CA -1.587 53.998 55.803 -0.363 0.000 0.925 685 Q CB 0.952 29.528 28.738 -0.269 0.000 1.212 685 Q HN 0.222 nan 8.270 nan 0.000 0.436 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.113 63.100 0.021 0.000 0.800 686 P CB 0.000 31.785 31.700 0.143 0.000 0.726