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 3c69_1_B DATA FIRST_RESID 2 DATA SEQUENCE ADNYKNVINR TGAPQYMKDY DYDDHQRFNP FFDLGAWHGH LLPDGPNTMG DATA SEQUENCE GFPGVALLTE EYINFMASNF DRLTVWQDGK KVDFTLEAYS IPGALVQKLT DATA SEQUENCE AKDVQVEMTL RFATPRTSLL ETKITSNKPL DLVWDGELLE KLEAKEGKPL DATA SEQUENCE SDKTIAGEYP DYQRKISATR DGLKVTFGKV RATWDLLTSG ESEYQVHKSL DATA SEQUENCE PVQTEINGNR FTSKAHINGS TTLYTTYSHL LTAQEVSKEQ MQIRDILARP DATA SEQUENCE AFYLTASQQR WEEYLKKGLT NPDATPEQTR VAVKAIETLN GNWRSPGGAV DATA SEQUENCE KFNTVTPSVT GRWFSGNQTW PWDTWKQAFA MAHFNPDIAK ENIRAVFSWQ DATA SEQUENCE IQPGDSVRPQ DVGFVPDLIA WNLSPERGGD GGNWNERNTK PSLAAWSVME DATA SEQUENCE VYNVTQDKTW VAEMYPKLVA YHDWWLRNRD HNGNGVPEYG ATRDKAHNTE DATA SEQUENCE SGEMLFTVKK GDKEETQSGL NNYARVVEKG QYDSLEIPAQ VAASWESGRD DATA SEQUENCE DAAVFGFIDK EQLDKYVANG GKRSDWTVKF AENRSQDGTL LGYSLLQESV DATA SEQUENCE DQASYMYSDN HYLAEMATIL GKPEEAKRYR QLAQQLADYI NTcMFDPTTQ DATA SEQUENCE FYYDVRIEDK PLANGcAGKP IVERGKGPEG WSPLFNGAAT QANADAVVKV DATA SEQUENCE MLDPKEFNTF VPLGTAALTN PAFGADIYWR GRVWVDQFWF GLKGMERYGY DATA SEQUENCE RDDALKLADT FFRHAKGLTA DGPIQENYNP LTGAQQGAPN FSWSAAHLYM DATA SEQUENCE LYNDFFRK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.656 177.584 0.119 0.000 1.274 2 A CA 0.000 52.172 52.037 0.226 0.000 0.836 2 A CB 0.000 19.109 19.000 0.182 0.000 0.831 3 D N 1.434 121.854 120.400 0.034 0.000 2.351 3 D HA -0.090 4.547 4.640 -0.004 0.000 0.216 3 D C 0.837 177.051 176.300 -0.143 0.000 0.968 3 D CA 0.796 54.775 54.000 -0.035 0.000 0.899 3 D CB -0.144 40.638 40.800 -0.030 0.000 0.907 3 D HN 0.491 nan 8.370 nan 0.000 0.514 4 N N 0.069 118.618 118.700 -0.252 0.000 2.515 4 N HA -0.097 4.640 4.740 -0.004 0.000 0.185 4 N C -0.240 174.832 175.510 -0.729 0.000 1.109 4 N CA 0.385 53.123 53.050 -0.520 0.000 0.903 4 N CB 0.187 38.245 38.487 -0.715 0.000 0.969 4 N HN 0.309 nan 8.380 nan 0.000 0.450 5 Y N 0.962 121.255 120.300 -0.011 0.000 2.747 5 Y HA 0.343 4.891 4.550 -0.004 0.000 0.362 5 Y C -0.013 175.876 175.900 -0.019 0.000 1.026 5 Y CA -0.746 57.351 58.100 -0.005 0.000 1.135 5 Y CB 0.262 38.732 38.460 0.016 0.000 1.175 5 Y HN -0.365 nan 8.280 nan 0.000 0.643 6 K N 1.834 122.248 120.400 0.023 0.000 2.249 6 K HA 0.158 4.476 4.320 -0.004 0.000 0.280 6 K C 0.141 176.778 176.600 0.061 0.000 1.033 6 K CA -0.489 55.799 56.287 0.001 0.000 0.946 6 K CB 0.421 32.819 32.500 -0.170 0.000 1.005 6 K HN 0.471 nan 8.250 nan 0.000 0.469 7 N N 1.150 119.909 118.700 0.098 0.000 2.699 7 N HA -0.181 4.557 4.740 -0.004 0.000 0.256 7 N C 0.692 176.257 175.510 0.092 0.000 0.993 7 N CA 0.367 53.477 53.050 0.099 0.000 0.759 7 N CB -1.448 37.099 38.487 0.100 0.000 0.906 7 N HN 0.324 nan 8.380 nan 0.000 0.541 8 V N -0.579 119.393 119.914 0.096 0.000 2.407 8 V HA -0.097 4.020 4.120 -0.004 0.000 0.248 8 V C 1.424 177.573 176.094 0.090 0.000 1.055 8 V CA 1.490 63.848 62.300 0.098 0.000 1.049 8 V CB -0.035 31.842 31.823 0.090 0.000 0.662 8 V HN 0.415 nan 8.190 nan 0.000 0.455 9 I N 0.195 120.822 120.570 0.094 0.000 2.569 9 I HA 0.298 4.466 4.170 -0.004 0.000 0.296 9 I C -0.102 176.083 176.117 0.114 0.000 1.028 9 I CA -0.582 60.781 61.300 0.105 0.000 1.082 9 I CB 1.633 39.706 38.000 0.121 0.000 1.264 9 I HN 0.032 nan 8.210 nan 0.000 0.429 10 N N 5.600 124.370 118.700 0.117 0.000 2.406 10 N HA 0.097 4.834 4.740 -0.004 0.000 0.265 10 N C 0.075 175.684 175.510 0.164 0.000 1.203 10 N CA 0.358 53.485 53.050 0.128 0.000 0.945 10 N CB 0.454 39.014 38.487 0.122 0.000 1.165 10 N HN 0.521 nan 8.380 nan 0.000 0.485 11 R N 1.318 121.914 120.500 0.161 0.000 2.552 11 R HA 0.088 4.425 4.340 -0.004 0.000 0.314 11 R C 0.213 176.617 176.300 0.174 0.000 1.041 11 R CA -0.225 55.989 56.100 0.191 0.000 1.076 11 R CB 0.194 30.601 30.300 0.179 0.000 1.290 11 R HN 0.557 nan 8.270 nan 0.000 0.563 12 T N -1.835 112.812 114.554 0.154 0.000 2.899 12 T HA 0.732 5.079 4.350 -0.004 0.000 0.284 12 T C 0.523 175.260 174.700 0.061 0.000 1.004 12 T CA -0.465 61.691 62.100 0.093 0.000 1.043 12 T CB 2.143 71.058 68.868 0.078 0.000 1.013 12 T HN 0.235 nan 8.240 nan 0.000 0.518 13 G N -0.880 107.833 108.800 -0.146 0.000 2.368 13 G HA2 0.571 4.529 3.960 -0.004 0.000 0.303 13 G HA3 0.571 4.529 3.960 -0.004 0.000 0.303 13 G C -1.214 173.272 174.900 -0.690 0.000 1.590 13 G CA -0.440 44.294 45.100 -0.609 0.000 0.938 13 G HN 1.273 nan 8.290 nan 0.000 0.675 14 A N 1.974 124.328 122.820 -0.777 0.000 2.943 14 A HA 0.811 5.128 4.320 -0.004 0.000 0.327 14 A C -2.522 174.750 177.584 -0.519 0.000 1.141 14 A CA -1.305 50.437 52.037 -0.493 0.000 0.773 14 A CB 0.926 19.779 19.000 -0.245 0.000 1.143 14 A HN 0.445 nan 8.150 nan 0.000 0.463 15 P HA 0.185 nan 4.420 nan 0.000 0.269 15 P C 0.081 177.221 177.300 -0.267 0.000 1.209 15 P CA 0.236 63.043 63.100 -0.489 0.000 0.776 15 P CB 0.734 31.766 31.700 -1.114 0.000 0.876 16 Q N 0.460 120.176 119.800 -0.140 0.000 2.113 16 Q HA 0.201 4.539 4.340 -0.004 0.000 0.225 16 Q C -0.676 174.978 176.000 -0.576 0.000 0.786 16 Q CA 0.240 55.841 55.803 -0.336 0.000 0.989 16 Q CB 0.572 29.069 28.738 -0.402 0.000 1.174 16 Q HN 0.560 nan 8.270 nan 0.000 0.470 17 Y N -0.577 119.719 120.300 -0.008 0.000 2.512 17 Y HA 0.315 4.863 4.550 -0.004 0.000 0.348 17 Y C 1.153 177.098 175.900 0.076 0.000 0.990 17 Y CA -0.695 57.413 58.100 0.014 0.000 1.033 17 Y CB 1.629 40.074 38.460 -0.024 0.000 1.259 17 Y HN -0.163 nan 8.280 nan 0.000 0.461 18 M N 1.097 120.823 119.600 0.209 0.000 2.159 18 M HA -0.084 4.393 4.480 -0.004 0.000 0.263 18 M C -0.172 176.212 176.300 0.139 0.000 1.063 18 M CA 1.998 57.411 55.300 0.190 0.000 1.110 18 M CB 0.074 32.752 32.600 0.132 0.000 1.374 18 M HN 0.558 nan 8.290 nan 0.000 0.411 19 K N 1.366 121.743 120.400 -0.039 0.000 2.432 19 K HA 0.124 4.442 4.320 -0.004 0.000 0.226 19 K C -1.120 175.231 176.600 -0.415 0.000 1.057 19 K CA -0.234 55.731 56.287 -0.537 0.000 1.034 19 K CB 0.453 32.361 32.500 -0.987 0.000 1.561 19 K HN -0.006 nan 8.250 nan 0.000 0.492 20 D N 2.479 122.913 120.400 0.055 0.000 2.563 20 D HA 0.042 4.679 4.640 -0.004 0.000 0.222 20 D C -0.585 175.815 176.300 0.167 0.000 1.145 20 D CA -0.242 53.850 54.000 0.153 0.000 1.001 20 D CB 0.172 41.202 40.800 0.384 0.000 1.049 20 D HN 0.229 nan 8.370 nan 0.000 0.515 21 Y N 1.293 121.561 120.300 -0.053 0.000 2.300 21 Y HA 0.155 4.703 4.550 -0.004 0.000 0.328 21 Y C 1.186 176.958 175.900 -0.214 0.000 1.270 21 Y CA -1.375 56.654 58.100 -0.118 0.000 1.352 21 Y CB 0.453 38.825 38.460 -0.147 0.000 1.286 21 Y HN 0.271 nan 8.280 nan 0.000 0.536 22 D N -0.914 119.463 120.400 -0.039 0.000 2.506 22 D HA 0.036 4.673 4.640 -0.004 0.000 0.272 22 D C 0.418 176.597 176.300 -0.202 0.000 1.214 22 D CA -0.323 53.560 54.000 -0.195 0.000 1.067 22 D CB -0.009 40.732 40.800 -0.097 0.000 1.117 22 D HN 0.416 nan 8.370 nan 0.000 0.578 23 Y N -1.054 119.219 120.300 -0.045 0.000 2.465 23 Y HA -0.037 4.512 4.550 -0.003 0.000 0.289 23 Y C 1.153 176.994 175.900 -0.099 0.000 1.150 23 Y CA 1.202 59.267 58.100 -0.058 0.000 1.293 23 Y CB -0.245 38.187 38.460 -0.047 0.000 0.977 23 Y HN 0.372 nan 8.280 nan 0.000 0.556 24 D N -1.000 119.382 120.400 -0.030 0.000 2.424 24 D HA 0.075 4.712 4.640 -0.004 0.000 0.220 24 D C -0.287 175.625 176.300 -0.647 0.000 1.150 24 D CA 0.248 54.116 54.000 -0.219 0.000 0.831 24 D CB 0.041 40.795 40.800 -0.077 0.000 0.981 24 D HN 0.095 nan 8.370 nan 0.000 0.500 25 D N -0.045 120.028 120.400 -0.546 0.000 3.090 25 D HA -0.168 4.470 4.640 -0.004 0.000 0.215 25 D C -0.348 175.088 176.300 -1.440 0.000 1.140 25 D CA 0.722 54.141 54.000 -0.969 0.000 0.937 25 D CB -1.271 39.032 40.800 -0.828 0.000 1.108 25 D HN 0.476 nan 8.370 nan 0.000 0.420 26 H N 0.529 119.266 119.070 -0.555 0.000 2.472 26 H HA 0.275 4.828 4.556 -0.004 0.000 0.335 26 H C 1.149 176.407 175.328 -0.118 0.000 1.136 26 H CA -0.194 55.631 56.048 -0.373 0.000 1.264 26 H CB 0.805 30.452 29.762 -0.191 0.000 1.486 26 H HN -0.057 nan 8.280 nan 0.000 0.517 27 Q N 2.028 121.929 119.800 0.167 0.000 2.274 27 Q HA -0.027 4.311 4.340 -0.004 0.000 0.280 27 Q C 1.224 177.339 176.000 0.192 0.000 1.047 27 Q CA 0.112 56.107 55.803 0.319 0.000 0.907 27 Q CB 0.814 29.723 28.738 0.284 0.000 1.171 27 Q HN 0.685 nan 8.270 nan 0.000 0.381 28 R N 1.065 121.593 120.500 0.046 0.000 2.323 28 R HA 0.100 4.437 4.340 -0.004 0.000 0.198 28 R C -0.350 175.670 176.300 -0.467 0.000 0.988 28 R CA 0.490 56.419 56.100 -0.285 0.000 1.041 28 R CB 0.109 30.088 30.300 -0.534 0.000 0.926 28 R HN 0.160 nan 8.270 nan 0.000 0.476 29 F N 0.405 120.515 119.950 0.268 0.000 2.579 29 F HA 0.397 4.922 4.527 -0.004 0.000 0.324 29 F C 0.055 176.027 175.800 0.286 0.000 1.058 29 F CA -1.577 56.577 58.000 0.256 0.000 0.944 29 F CB 1.398 40.559 39.000 0.268 0.000 1.245 29 F HN -0.122 nan 8.300 nan 0.000 0.477 30 N N 2.360 121.329 118.700 0.448 0.000 2.898 30 N HA 0.290 5.027 4.740 -0.004 0.000 0.245 30 N C -2.921 172.810 175.510 0.367 0.000 1.185 30 N CA -1.299 51.965 53.050 0.357 0.000 0.879 30 N CB 0.920 39.566 38.487 0.265 0.000 1.157 30 N HN 0.126 nan 8.380 nan 0.000 0.503 31 P HA 0.060 nan 4.420 nan 0.000 0.269 31 P C -0.327 177.122 177.300 0.248 0.000 1.215 31 P CA -0.217 63.033 63.100 0.250 0.000 0.780 31 P CB 0.425 32.159 31.700 0.057 0.000 0.898 32 F N 3.477 123.410 119.950 -0.028 0.000 2.424 32 F HA 0.507 5.031 4.527 -0.004 0.000 0.356 32 F C -1.195 174.501 175.800 -0.173 0.000 1.110 32 F CA -0.742 57.281 58.000 0.038 0.000 1.161 32 F CB -0.349 38.714 39.000 0.105 0.000 1.115 32 F HN 0.119 nan 8.300 nan 0.000 0.507 33 F N 4.383 124.020 119.950 -0.523 0.000 2.563 33 F HA 0.480 5.004 4.527 -0.004 0.000 0.316 33 F C -0.472 174.604 175.800 -1.206 0.000 1.076 33 F CA -0.784 56.639 58.000 -0.962 0.000 0.921 33 F CB 2.032 40.705 39.000 -0.544 0.000 1.209 33 F HN 0.436 nan 8.300 nan 0.000 0.462 34 D N 0.683 120.131 120.400 -1.587 0.000 2.622 34 D HA 0.440 5.078 4.640 -0.004 0.000 0.255 34 D C -0.266 175.486 176.300 -0.914 0.000 1.246 34 D CA -0.389 53.088 54.000 -0.871 0.000 0.795 34 D CB 1.608 42.187 40.800 -0.370 0.000 1.369 34 D HN 0.362 nan 8.370 nan 0.000 0.425 35 L N 1.929 122.712 121.223 -0.732 0.000 4.429 35 L HA -0.112 4.225 4.340 -0.004 0.000 0.422 35 L C 1.166 177.284 176.870 -1.253 0.000 1.149 35 L CA 2.183 56.526 54.840 -0.828 0.000 0.972 35 L CB -1.487 40.498 42.059 -0.123 0.000 2.059 35 L HN 1.103 nan 8.230 nan 0.000 0.870 36 G N -2.340 105.406 108.800 -1.756 0.000 2.143 36 G HA2 -0.003 3.954 3.960 -0.004 0.000 0.248 36 G HA3 -0.003 3.954 3.960 -0.004 0.000 0.248 36 G C 0.701 175.264 174.900 -0.561 0.000 0.991 36 G CA 0.671 44.981 45.100 -1.315 0.000 0.689 36 G HN 1.733 nan 8.290 nan 0.000 0.522 37 A N -1.112 121.419 122.820 -0.483 0.000 2.429 37 A HA 0.506 4.823 4.320 -0.004 0.000 0.242 37 A C 0.513 178.067 177.584 -0.050 0.000 1.088 37 A CA 0.765 52.755 52.037 -0.079 0.000 0.784 37 A CB 0.293 19.244 19.000 -0.082 0.000 1.038 37 A HN 0.805 nan 8.150 nan 0.000 0.501 38 W N 0.985 122.414 121.300 0.216 0.000 3.015 38 W HA 0.274 4.931 4.660 -0.004 0.000 0.429 38 W C 0.512 177.343 176.519 0.520 0.000 0.976 38 W CA 0.321 57.854 57.345 0.314 0.000 2.086 38 W CB 0.061 29.684 29.460 0.272 0.000 1.125 38 W HN 0.798 nan 8.180 nan 0.000 0.721 39 H N -2.046 117.293 119.070 0.448 0.000 3.046 39 H HA 0.783 5.336 4.556 -0.004 0.000 0.361 39 H C -0.607 174.611 175.328 -0.183 0.000 1.235 39 H CA -0.953 55.218 56.048 0.205 0.000 1.146 39 H CB 1.319 31.193 29.762 0.187 0.000 1.859 39 H HN -0.056 nan 8.280 nan 0.000 0.548 40 G N 0.838 109.177 108.800 -0.769 0.000 2.642 40 G HA2 0.471 4.428 3.960 -0.004 0.000 0.293 40 G HA3 0.471 4.428 3.960 -0.004 0.000 0.293 40 G C -1.583 172.824 174.900 -0.823 0.000 1.341 40 G CA -0.650 43.598 45.100 -1.419 0.000 0.916 40 G HN 0.697 nan 8.290 nan 0.000 0.474 41 H N -0.449 118.518 119.070 -0.171 0.000 2.747 41 H HA 0.569 5.123 4.556 -0.004 0.000 0.371 41 H C -0.645 174.766 175.328 0.138 0.000 1.161 41 H CA -0.380 55.698 56.048 0.051 0.000 1.167 41 H CB 2.369 32.186 29.762 0.092 0.000 1.732 41 H HN 0.205 nan 8.280 nan 0.000 0.544 42 L N 1.481 122.886 121.223 0.303 0.000 2.313 42 L HA 0.403 4.740 4.340 -0.004 0.000 0.268 42 L C -0.053 176.982 176.870 0.275 0.000 1.010 42 L CA -0.925 54.056 54.840 0.235 0.000 0.814 42 L CB 1.831 43.952 42.059 0.102 0.000 1.304 42 L HN 0.205 nan 8.230 nan 0.000 0.441 43 L N 2.756 124.101 121.223 0.203 0.000 2.375 43 L HA 0.399 4.736 4.340 -0.004 0.000 0.271 43 L C -2.083 174.806 176.870 0.032 0.000 1.107 43 L CA -1.716 53.228 54.840 0.173 0.000 0.806 43 L CB 1.430 43.567 42.059 0.130 0.000 1.146 43 L HN 0.292 nan 8.230 nan 0.000 0.447 44 P HA 0.048 nan 4.420 nan 0.000 0.276 44 P C -1.036 176.226 177.300 -0.064 0.000 1.230 44 P CA -0.206 62.829 63.100 -0.107 0.000 0.776 44 P CB 0.905 32.488 31.700 -0.195 0.000 0.888 45 D N 1.550 121.914 120.400 -0.059 0.000 2.538 45 D HA 0.328 4.966 4.640 -0.004 0.000 0.231 45 D C 0.602 176.885 176.300 -0.028 0.000 1.229 45 D CA -0.590 53.393 54.000 -0.028 0.000 0.828 45 D CB 0.279 41.070 40.800 -0.015 0.000 1.035 45 D HN 0.524 nan 8.370 nan 0.000 0.495 46 G N 0.077 108.850 108.800 -0.045 0.000 2.317 46 G HA2 0.234 4.191 3.960 -0.004 0.000 0.293 46 G HA3 0.234 4.191 3.960 -0.004 0.000 0.293 46 G C -2.611 172.261 174.900 -0.048 0.000 1.287 46 G CA -0.796 44.281 45.100 -0.037 0.000 0.850 46 G HN -0.225 nan 8.290 nan 0.000 0.515 47 P HA 0.033 nan 4.420 nan 0.000 0.223 47 P C 1.204 178.475 177.300 -0.049 0.000 1.151 47 P CA 1.057 64.132 63.100 -0.041 0.000 0.787 47 P CB 0.033 31.712 31.700 -0.034 0.000 0.788 48 N N -1.740 116.930 118.700 -0.050 0.000 2.446 48 N HA -0.031 4.706 4.740 -0.004 0.000 0.179 48 N C 1.010 176.480 175.510 -0.066 0.000 1.054 48 N CA 1.183 54.200 53.050 -0.054 0.000 0.905 48 N CB 0.015 38.471 38.487 -0.051 0.000 0.973 48 N HN 0.249 nan 8.380 nan 0.000 0.448 49 T N -2.677 111.831 114.554 -0.077 0.000 2.975 49 T HA 0.183 4.530 4.350 -0.004 0.000 0.261 49 T C 0.579 175.208 174.700 -0.119 0.000 0.984 49 T CA -0.437 61.608 62.100 -0.092 0.000 0.911 49 T CB 0.130 68.936 68.868 -0.103 0.000 1.127 49 T HN -0.001 nan 8.240 nan 0.000 0.514 50 M N 2.260 121.793 119.600 -0.112 0.000 2.248 50 M HA 0.354 4.831 4.480 -0.004 0.000 0.343 50 M C 1.329 177.536 176.300 -0.154 0.000 1.243 50 M CA 2.160 57.376 55.300 -0.141 0.000 1.025 50 M CB -0.109 32.435 32.600 -0.094 0.000 1.759 50 M HN 0.602 nan 8.290 nan 0.000 0.452 51 G N 2.570 111.234 108.800 -0.227 0.000 2.218 51 G HA2 -0.105 3.853 3.960 -0.004 0.000 0.216 51 G HA3 -0.105 3.853 3.960 -0.004 0.000 0.216 51 G C -0.043 174.748 174.900 -0.183 0.000 0.994 51 G CA -0.203 44.775 45.100 -0.204 0.000 0.637 51 G HN 1.340 nan 8.290 nan 0.000 0.505 52 G N -1.186 107.457 108.800 -0.261 0.000 2.682 52 G HA2 0.628 4.585 3.960 -0.004 0.000 0.290 52 G HA3 0.628 4.585 3.960 -0.004 0.000 0.290 52 G C -1.326 173.316 174.900 -0.430 0.000 1.425 52 G CA -0.882 44.083 45.100 -0.226 0.000 0.807 52 G HN 0.465 nan 8.290 nan 0.000 0.482 53 F N 2.552 122.526 119.950 0.040 0.000 2.291 53 F HA 0.366 4.890 4.527 -0.004 0.000 0.368 53 F C -1.461 174.373 175.800 0.056 0.000 1.085 53 F CA -1.795 56.224 58.000 0.031 0.000 1.165 53 F CB 1.566 40.572 39.000 0.010 0.000 1.429 53 F HN 0.127 nan 8.300 nan 0.000 0.503 54 P HA 0.154 nan 4.420 nan 0.000 0.274 54 P C 0.339 177.668 177.300 0.049 0.000 1.260 54 P CA 0.025 63.154 63.100 0.047 0.000 0.793 54 P CB 0.869 32.531 31.700 -0.064 0.000 1.048 55 G N -0.740 108.039 108.800 -0.034 0.000 2.385 55 G HA2 -0.157 3.800 3.960 -0.004 0.000 0.294 55 G HA3 -0.157 3.800 3.960 -0.004 0.000 0.294 55 G C -0.123 174.893 174.900 0.193 0.000 1.070 55 G CA -0.325 44.757 45.100 -0.030 0.000 1.172 55 G HN 0.462 nan 8.290 nan 0.000 0.516 56 V N 0.801 120.762 119.914 0.079 0.000 2.425 56 V HA 0.409 4.526 4.120 -0.004 0.000 0.276 56 V C 1.131 177.212 176.094 -0.022 0.000 1.017 56 V CA 0.688 62.937 62.300 -0.085 0.000 1.062 56 V CB 0.664 32.241 31.823 -0.409 0.000 0.997 56 V HN 1.372 nan 8.190 nan 0.000 0.476 57 A N 7.603 130.373 122.820 -0.084 0.000 2.260 57 A HA 0.743 5.060 4.320 -0.004 0.000 0.314 57 A C -0.508 176.990 177.584 -0.144 0.000 1.257 57 A CA -0.514 51.420 52.037 -0.171 0.000 0.871 57 A CB 0.306 19.204 19.000 -0.170 0.000 1.166 57 A HN 0.801 nan 8.150 nan 0.000 0.522 58 L N 3.398 124.494 121.223 -0.211 0.000 2.282 58 L HA 0.378 4.715 4.340 -0.004 0.000 0.288 58 L C -0.497 176.350 176.870 -0.038 0.000 1.033 58 L CA -0.396 54.291 54.840 -0.255 0.000 0.807 58 L CB 1.470 43.190 42.059 -0.565 0.000 1.209 58 L HN 0.579 nan 8.230 nan 0.000 0.423 59 L N 3.580 124.919 121.223 0.193 0.000 2.302 59 L HA 0.200 4.538 4.340 -0.004 0.000 0.285 59 L C 0.564 177.626 176.870 0.320 0.000 1.090 59 L CA -0.371 54.607 54.840 0.230 0.000 0.866 59 L CB 0.486 42.673 42.059 0.215 0.000 1.244 59 L HN 0.651 nan 8.230 nan 0.000 0.435 60 T N -0.995 113.627 114.554 0.113 0.000 3.455 60 T HA 0.223 4.571 4.350 -0.004 0.000 0.286 60 T C 0.743 175.367 174.700 -0.127 0.000 1.157 60 T CA -0.459 61.632 62.100 -0.015 0.000 1.090 60 T CB 0.185 68.997 68.868 -0.093 0.000 1.112 60 T HN 0.754 nan 8.240 nan 0.000 0.779 61 E N 1.413 121.451 120.200 -0.270 0.000 4.876 61 E HA -0.344 4.004 4.350 -0.004 0.000 0.174 61 E C 0.886 177.489 176.600 0.005 0.000 1.304 61 E CA 2.304 58.408 56.400 -0.494 0.000 2.277 61 E CB -0.996 28.148 29.700 -0.927 0.000 1.860 61 E HN 0.837 nan 8.360 nan 0.000 0.382 62 E N -1.586 118.523 120.200 -0.152 0.000 2.702 62 E HA 0.196 4.543 4.350 -0.004 0.000 0.225 62 E C -0.882 175.282 176.600 -0.727 0.000 0.942 62 E CA -0.049 56.131 56.400 -0.366 0.000 1.210 62 E CB 0.911 30.309 29.700 -0.502 0.000 1.143 62 E HN 0.152 nan 8.360 nan 0.000 0.544 63 Y N 0.006 120.324 120.300 0.029 0.000 2.581 63 Y HA 0.434 4.981 4.550 -0.004 0.000 0.345 63 Y C -0.588 175.282 175.900 -0.050 0.000 1.036 63 Y CA -1.165 56.922 58.100 -0.022 0.000 1.042 63 Y CB 1.492 39.919 38.460 -0.054 0.000 1.289 63 Y HN -0.099 nan 8.280 nan 0.000 0.471 64 I N 3.204 123.830 120.570 0.092 0.000 2.321 64 I HA 0.437 4.604 4.170 -0.004 0.000 0.291 64 I C -1.284 174.794 176.117 -0.064 0.000 0.998 64 I CA -0.262 61.025 61.300 -0.023 0.000 1.227 64 I CB 0.208 38.163 38.000 -0.074 0.000 1.368 64 I HN 0.630 nan 8.210 nan 0.000 0.466 65 N N 6.780 125.401 118.700 -0.132 0.000 2.249 65 N HA 0.370 5.107 4.740 -0.004 0.000 0.296 65 N C -1.321 174.079 175.510 -0.183 0.000 1.051 65 N CA -0.360 52.611 53.050 -0.132 0.000 0.815 65 N CB 1.934 40.362 38.487 -0.098 0.000 1.487 65 N HN 0.345 nan 8.380 nan 0.000 0.475 66 F N 1.567 121.523 119.950 0.010 0.000 2.412 66 F HA 0.236 4.760 4.527 -0.005 0.000 0.348 66 F C 1.851 177.611 175.800 -0.067 0.000 1.102 66 F CA -0.205 57.782 58.000 -0.021 0.000 1.196 66 F CB 1.083 40.100 39.000 0.030 0.000 1.144 66 F HN 0.438 nan 8.300 nan 0.000 0.541 67 M N 2.287 121.921 119.600 0.057 0.000 2.545 67 M HA 0.456 4.934 4.480 -0.004 0.000 0.264 67 M C -0.137 176.117 176.300 -0.077 0.000 1.155 67 M CA 0.712 55.966 55.300 -0.076 0.000 1.162 67 M CB 0.442 32.857 32.600 -0.310 0.000 1.330 67 M HN 0.622 nan 8.290 nan 0.000 0.479 68 A N -1.250 121.531 122.820 -0.065 0.000 2.586 68 A HA 0.486 4.804 4.320 -0.004 0.000 0.291 68 A C -0.116 177.450 177.584 -0.030 0.000 1.062 68 A CA -0.284 51.734 52.037 -0.031 0.000 0.666 68 A CB 0.671 19.663 19.000 -0.013 0.000 1.281 68 A HN 0.127 nan 8.150 nan 0.000 0.421 69 S N -0.128 115.555 115.700 -0.029 0.000 2.338 69 S HA 0.154 4.621 4.470 -0.004 0.000 0.197 69 S C 0.650 175.249 174.600 -0.002 0.000 0.990 69 S CA 0.666 58.815 58.200 -0.087 0.000 0.920 69 S CB -0.368 62.762 63.200 -0.116 0.000 0.903 69 S HN 0.720 nan 8.310 nan 0.000 0.542 70 N N 0.038 118.756 118.700 0.030 0.000 2.472 70 N HA 0.440 5.178 4.740 -0.004 0.000 0.277 70 N C -1.615 174.017 175.510 0.202 0.000 1.081 70 N CA -0.053 53.033 53.050 0.061 0.000 0.973 70 N CB 0.868 39.348 38.487 -0.012 0.000 1.105 70 N HN 0.266 nan 8.380 nan 0.000 0.470 71 F N 1.987 121.966 119.950 0.048 0.000 2.991 71 F HA 0.147 4.672 4.527 -0.004 0.000 0.355 71 F C -0.694 175.253 175.800 0.246 0.000 1.262 71 F CA -0.540 57.554 58.000 0.157 0.000 1.127 71 F CB 0.866 39.961 39.000 0.158 0.000 1.447 71 F HN 0.476 nan 8.300 nan 0.000 0.584 72 D N 2.809 123.278 120.400 0.115 0.000 2.873 72 D HA -0.223 4.415 4.640 -0.004 0.000 0.228 72 D C -0.079 176.438 176.300 0.362 0.000 1.122 72 D CA 0.729 54.935 54.000 0.343 0.000 0.758 72 D CB -0.397 40.662 40.800 0.431 0.000 1.094 72 D HN 0.721 nan 8.370 nan 0.000 0.434 73 R N 0.473 121.089 120.500 0.193 0.000 2.340 73 R HA 0.438 4.776 4.340 -0.004 0.000 0.300 73 R C -0.459 175.925 176.300 0.140 0.000 1.069 73 R CA -0.578 55.598 56.100 0.127 0.000 0.984 73 R CB 0.526 30.833 30.300 0.012 0.000 1.003 73 R HN 0.219 nan 8.270 nan 0.000 0.459 74 L N 4.285 125.556 121.223 0.081 0.000 2.289 74 L HA 0.407 4.745 4.340 -0.004 0.000 0.285 74 L C -0.779 176.009 176.870 -0.136 0.000 1.049 74 L CA 0.229 54.988 54.840 -0.135 0.000 0.804 74 L CB 1.745 43.736 42.059 -0.113 0.000 1.195 74 L HN 0.851 nan 8.230 nan 0.000 0.428 75 T N 2.273 116.736 114.554 -0.151 0.000 2.876 75 T HA 0.789 5.136 4.350 -0.004 0.000 0.289 75 T C -0.629 174.077 174.700 0.009 0.000 1.014 75 T CA -0.771 61.315 62.100 -0.024 0.000 0.986 75 T CB 1.515 70.429 68.868 0.077 0.000 1.021 75 T HN 0.383 nan 8.240 nan 0.000 0.458 76 V N 1.912 121.844 119.914 0.030 0.000 2.628 76 V HA 0.696 4.813 4.120 -0.004 0.000 0.306 76 V C -1.233 174.805 176.094 -0.093 0.000 1.045 76 V CA -0.908 61.433 62.300 0.067 0.000 0.905 76 V CB 1.559 33.485 31.823 0.173 0.000 0.997 76 V HN 0.976 nan 8.190 nan 0.000 0.436 77 W N 2.444 123.687 121.300 -0.095 0.000 2.883 77 W HA 0.731 5.388 4.660 -0.004 0.000 0.335 77 W C -0.515 175.958 176.519 -0.077 0.000 1.083 77 W CA -0.681 56.610 57.345 -0.089 0.000 1.233 77 W CB 1.781 31.196 29.460 -0.076 0.000 1.412 77 W HN 0.585 nan 8.180 nan 0.000 0.490 78 Q N 1.008 120.880 119.800 0.120 0.000 2.274 78 Q HA 0.516 4.854 4.340 -0.004 0.000 0.268 78 Q C -0.570 175.472 176.000 0.070 0.000 1.015 78 Q CA -0.758 55.084 55.803 0.065 0.000 0.775 78 Q CB 2.056 30.789 28.738 -0.007 0.000 1.256 78 Q HN 0.473 nan 8.270 nan 0.000 0.442 79 D N 2.599 123.048 120.400 0.081 0.000 2.775 79 D HA -0.165 4.473 4.640 -0.004 0.000 0.235 79 D C 0.830 177.187 176.300 0.094 0.000 1.120 79 D CA 2.216 56.255 54.000 0.066 0.000 0.708 79 D CB -1.125 39.695 40.800 0.033 0.000 1.084 79 D HN 1.497 nan 8.370 nan 0.000 0.434 80 G N -0.162 108.727 108.800 0.149 0.000 2.196 80 G HA2 -0.392 3.565 3.960 -0.004 0.000 0.268 80 G HA3 -0.392 3.565 3.960 -0.004 0.000 0.268 80 G C 0.322 175.451 174.900 0.381 0.000 0.975 80 G CA 0.917 46.140 45.100 0.204 0.000 0.648 80 G HN 0.758 nan 8.290 nan 0.000 0.538 81 K N 0.494 121.054 120.400 0.266 0.000 2.221 81 K HA 0.517 4.834 4.320 -0.004 0.000 0.258 81 K C 0.232 176.710 176.600 -0.203 0.000 0.944 81 K CA -0.922 55.413 56.287 0.079 0.000 0.823 81 K CB 0.882 33.366 32.500 -0.027 0.000 1.113 81 K HN 0.107 nan 8.250 nan 0.000 0.431 82 K N 3.627 123.573 120.400 -0.757 0.000 2.368 82 K HA 0.083 4.400 4.320 -0.004 0.000 0.282 82 K C -0.589 175.614 176.600 -0.661 0.000 1.035 82 K CA -0.494 55.075 56.287 -1.196 0.000 0.973 82 K CB 0.771 32.394 32.500 -1.462 0.000 0.957 82 K HN 0.362 nan 8.250 nan 0.000 0.474 83 V N 3.874 123.411 119.914 -0.628 0.000 2.655 83 V HA -0.052 4.065 4.120 -0.004 0.000 0.300 83 V C 0.107 175.759 176.094 -0.736 0.000 1.044 83 V CA -0.009 61.888 62.300 -0.672 0.000 1.095 83 V CB 1.033 32.321 31.823 -0.891 0.000 0.952 83 V HN 0.806 nan 8.190 nan 0.000 0.485 84 D N 3.529 123.571 120.400 -0.596 0.000 2.380 84 D HA 0.437 5.074 4.640 -0.004 0.000 0.230 84 D C -0.744 175.312 176.300 -0.406 0.000 1.154 84 D CA -0.030 53.728 54.000 -0.404 0.000 0.859 84 D CB 0.224 40.872 40.800 -0.253 0.000 1.045 84 D HN 0.247 nan 8.370 nan 0.000 0.495 85 F N 1.201 121.079 119.950 -0.120 0.000 2.432 85 F HA 0.421 4.945 4.527 -0.004 0.000 0.329 85 F C 1.026 176.778 175.800 -0.079 0.000 1.076 85 F CA -0.859 57.083 58.000 -0.096 0.000 1.018 85 F CB 1.590 40.527 39.000 -0.104 0.000 1.201 85 F HN 0.072 nan 8.300 nan 0.000 0.489 86 T N 0.913 115.566 114.554 0.165 0.000 2.895 86 T HA 0.676 5.024 4.350 -0.004 0.000 0.283 86 T C -0.996 173.732 174.700 0.046 0.000 1.014 86 T CA -0.766 61.375 62.100 0.068 0.000 1.037 86 T CB 1.766 70.659 68.868 0.043 0.000 1.006 86 T HN 0.476 nan 8.240 nan 0.000 0.468 87 L N 1.099 122.329 121.223 0.011 0.000 2.317 87 L HA 0.669 5.006 4.340 -0.004 0.000 0.281 87 L C -0.376 176.491 176.870 -0.004 0.000 1.024 87 L CA -0.475 54.352 54.840 -0.021 0.000 0.810 87 L CB 1.530 43.563 42.059 -0.044 0.000 1.240 87 L HN 0.942 nan 8.230 nan 0.000 0.427 88 E N 4.115 124.310 120.200 -0.008 0.000 2.283 88 E HA 0.709 5.057 4.350 -0.004 0.000 0.258 88 E C -1.856 174.757 176.600 0.021 0.000 0.893 88 E CA -0.636 55.792 56.400 0.047 0.000 0.798 88 E CB 1.411 31.162 29.700 0.085 0.000 1.242 88 E HN 0.838 nan 8.360 nan 0.000 0.414 89 A N 3.836 126.683 122.820 0.044 0.000 2.386 89 A HA 0.806 5.124 4.320 -0.004 0.000 0.311 89 A C -1.675 175.975 177.584 0.110 0.000 1.068 89 A CA -0.621 51.400 52.037 -0.028 0.000 0.743 89 A CB 0.789 19.760 19.000 -0.048 0.000 1.258 89 A HN 0.639 nan 8.150 nan 0.000 0.429 90 Y N -0.846 119.478 120.300 0.040 0.000 2.662 90 Y HA 0.682 5.230 4.550 -0.004 0.000 0.334 90 Y C -0.353 175.551 175.900 0.006 0.000 1.185 90 Y CA -0.726 57.388 58.100 0.025 0.000 1.074 90 Y CB 0.421 38.887 38.460 0.010 0.000 1.330 90 Y HN 0.978 nan 8.280 nan 0.000 0.458 91 S N 2.925 118.750 115.700 0.207 0.000 2.638 91 S HA 0.936 5.403 4.470 -0.004 0.000 0.298 91 S C -0.547 174.109 174.600 0.093 0.000 1.111 91 S CA -0.384 57.839 58.200 0.038 0.000 1.027 91 S CB 1.627 64.810 63.200 -0.028 0.000 1.064 91 S HN 1.210 nan 8.310 nan 0.000 0.525 92 I N -3.317 117.207 120.570 -0.076 0.000 2.994 92 I HA 0.600 4.767 4.170 -0.004 0.000 0.306 92 I C -3.282 172.678 176.117 -0.261 0.000 1.195 92 I CA -3.328 57.941 61.300 -0.052 0.000 1.001 92 I CB 1.852 39.864 38.000 0.021 0.000 1.244 92 I HN 0.285 nan 8.210 nan 0.000 0.437 93 P HA 0.154 nan 4.420 nan 0.000 0.261 93 P C 0.741 177.359 177.300 -1.136 0.000 1.203 93 P CA 1.225 64.045 63.100 -0.467 0.000 0.767 93 P CB 0.405 32.128 31.700 0.039 0.000 0.785 94 G N 2.113 109.813 108.800 -1.833 0.000 2.175 94 G HA2 0.020 3.977 3.960 -0.004 0.000 0.244 94 G HA3 0.020 3.977 3.960 -0.004 0.000 0.244 94 G C 0.123 174.586 174.900 -0.728 0.000 0.982 94 G CA -0.068 43.937 45.100 -1.825 0.000 0.641 94 G HN 0.902 nan 8.290 nan 0.000 0.527 95 A N -0.880 121.388 122.820 -0.920 0.000 2.608 95 A HA 0.781 5.099 4.320 -0.004 0.000 0.292 95 A C -1.099 176.087 177.584 -0.663 0.000 1.066 95 A CA -0.530 51.109 52.037 -0.663 0.000 0.676 95 A CB 1.004 19.849 19.000 -0.259 0.000 1.277 95 A HN 0.867 nan 8.150 nan 0.000 0.413 96 L N 1.102 122.039 121.223 -0.476 0.000 2.329 96 L HA 0.768 5.105 4.340 -0.004 0.000 0.279 96 L C -0.929 175.821 176.870 -0.201 0.000 1.014 96 L CA -1.012 53.645 54.840 -0.305 0.000 0.814 96 L CB 1.870 43.776 42.059 -0.256 0.000 1.257 96 L HN 0.512 nan 8.230 nan 0.000 0.424 97 V N 2.434 122.226 119.914 -0.202 0.000 2.841 97 V HA 0.536 4.653 4.120 -0.004 0.000 0.310 97 V C -0.848 175.056 176.094 -0.318 0.000 1.090 97 V CA -0.611 61.509 62.300 -0.299 0.000 0.930 97 V CB 2.120 33.516 31.823 -0.712 0.000 1.014 97 V HN 0.889 nan 8.190 nan 0.000 0.425 98 Q N 2.399 122.105 119.800 -0.157 0.000 2.340 98 Q HA 0.726 5.063 4.340 -0.004 0.000 0.276 98 Q C -1.877 174.026 176.000 -0.161 0.000 1.048 98 Q CA -1.119 54.563 55.803 -0.202 0.000 0.832 98 Q CB 3.003 31.573 28.738 -0.281 0.000 1.373 98 Q HN 0.629 nan 8.270 nan 0.000 0.409 99 K N 2.609 122.927 120.400 -0.136 0.000 2.397 99 K HA 0.541 4.858 4.320 -0.004 0.000 0.253 99 K C -1.143 175.370 176.600 -0.145 0.000 0.932 99 K CA -0.568 55.652 56.287 -0.111 0.000 0.795 99 K CB 2.015 34.498 32.500 -0.029 0.000 1.159 99 K HN 0.529 nan 8.250 nan 0.000 0.424 100 L N 2.471 123.546 121.223 -0.247 0.000 2.287 100 L HA 0.439 4.777 4.340 -0.004 0.000 0.287 100 L C -0.333 176.468 176.870 -0.114 0.000 1.022 100 L CA -0.703 53.927 54.840 -0.350 0.000 0.814 100 L CB 1.684 43.134 42.059 -1.014 0.000 1.217 100 L HN 0.561 nan 8.230 nan 0.000 0.420 101 T N 2.340 116.972 114.554 0.131 0.000 2.797 101 T HA 0.781 5.129 4.350 -0.004 0.000 0.279 101 T C -0.105 174.776 174.700 0.302 0.000 0.991 101 T CA -0.412 61.810 62.100 0.203 0.000 0.979 101 T CB 2.027 70.950 68.868 0.091 0.000 0.943 101 T HN 0.742 nan 8.240 nan 0.000 0.444 102 A N 2.281 125.236 122.820 0.225 0.000 2.524 102 A HA 0.798 5.115 4.320 -0.004 0.000 0.289 102 A C 0.973 178.551 177.584 -0.010 0.000 1.248 102 A CA -0.651 51.388 52.037 0.004 0.000 0.712 102 A CB 1.115 19.946 19.000 -0.280 0.000 1.312 102 A HN 0.622 nan 8.150 nan 0.000 0.441 103 K N 0.076 120.435 120.400 -0.068 0.000 1.973 103 K HA -0.069 4.249 4.320 -0.004 0.000 0.212 103 K C 0.543 177.128 176.600 -0.025 0.000 1.047 103 K CA 2.620 58.881 56.287 -0.043 0.000 0.937 103 K CB -0.101 32.362 32.500 -0.061 0.000 0.721 103 K HN 0.641 nan 8.250 nan 0.000 0.440 104 D N -0.452 119.924 120.400 -0.039 0.000 2.369 104 D HA 0.098 4.736 4.640 -0.004 0.000 0.211 104 D C -0.560 175.742 176.300 0.003 0.000 1.077 104 D CA 0.108 54.097 54.000 -0.019 0.000 0.842 104 D CB 0.921 41.704 40.800 -0.029 0.000 0.947 104 D HN -0.062 nan 8.370 nan 0.000 0.509 105 V N 1.067 120.995 119.914 0.025 0.000 2.686 105 V HA 0.305 4.422 4.120 -0.004 0.000 0.306 105 V C -0.848 175.389 176.094 0.239 0.000 1.065 105 V CA -0.792 61.572 62.300 0.108 0.000 0.894 105 V CB 2.350 34.239 31.823 0.111 0.000 1.004 105 V HN -0.177 nan 8.190 nan 0.000 0.424 106 Q N 2.476 122.375 119.800 0.164 0.000 2.372 106 Q HA 0.819 5.156 4.340 -0.004 0.000 0.273 106 Q C -1.236 174.766 176.000 0.003 0.000 1.078 106 Q CA -0.548 55.320 55.803 0.108 0.000 0.806 106 Q CB 2.855 31.626 28.738 0.056 0.000 1.332 106 Q HN 0.561 nan 8.270 nan 0.000 0.435 107 V N 0.911 120.744 119.914 -0.136 0.000 2.656 107 V HA 0.526 4.643 4.120 -0.004 0.000 0.307 107 V C -0.901 175.109 176.094 -0.140 0.000 1.051 107 V CA -0.788 61.407 62.300 -0.174 0.000 0.893 107 V CB 1.992 33.611 31.823 -0.340 0.000 0.999 107 V HN 0.766 nan 8.190 nan 0.000 0.426 108 E N 4.304 124.458 120.200 -0.076 0.000 2.182 108 E HA 0.592 4.940 4.350 -0.004 0.000 0.258 108 E C -1.270 175.322 176.600 -0.014 0.000 0.879 108 E CA -0.551 55.823 56.400 -0.044 0.000 0.754 108 E CB 1.349 31.043 29.700 -0.011 0.000 1.162 108 E HN 0.684 nan 8.360 nan 0.000 0.419 109 M N 2.816 122.421 119.600 0.008 0.000 2.227 109 M HA 0.354 4.831 4.480 -0.004 0.000 0.335 109 M C -0.860 175.532 176.300 0.153 0.000 1.053 109 M CA -0.439 54.930 55.300 0.115 0.000 0.973 109 M CB 2.180 34.900 32.600 0.200 0.000 1.623 109 M HN 0.321 nan 8.290 nan 0.000 0.434 110 T N 3.828 118.437 114.554 0.091 0.000 2.841 110 T HA 0.614 4.962 4.350 -0.004 0.000 0.285 110 T C -1.337 173.322 174.700 -0.068 0.000 0.991 110 T CA -0.574 61.530 62.100 0.007 0.000 0.966 110 T CB 1.596 70.477 68.868 0.022 0.000 0.962 110 T HN 0.446 nan 8.240 nan 0.000 0.438 111 L N 4.145 125.228 121.223 -0.232 0.000 2.349 111 L HA 0.725 5.062 4.340 -0.004 0.000 0.278 111 L C -0.510 176.316 176.870 -0.073 0.000 0.996 111 L CA -0.242 54.424 54.840 -0.290 0.000 0.825 111 L CB 0.989 42.590 42.059 -0.764 0.000 1.243 111 L HN 0.586 nan 8.230 nan 0.000 0.412 112 R N 3.187 123.698 120.500 0.019 0.000 2.855 112 R HA 0.573 4.911 4.340 -0.004 0.000 0.266 112 R C -1.450 174.912 176.300 0.103 0.000 1.034 112 R CA -0.785 55.454 56.100 0.232 0.000 0.944 112 R CB 1.688 32.112 30.300 0.207 0.000 1.219 112 R HN 0.368 nan 8.270 nan 0.000 0.474 113 F N 0.012 120.087 119.950 0.207 0.000 2.399 113 F HA 0.389 4.914 4.527 -0.004 0.000 0.334 113 F C 0.892 176.786 175.800 0.157 0.000 1.097 113 F CA 0.008 58.077 58.000 0.116 0.000 1.076 113 F CB 1.860 40.861 39.000 0.002 0.000 1.162 113 F HN 0.685 nan 8.300 nan 0.000 0.495 114 A N 1.275 124.225 122.820 0.216 0.000 2.055 114 A HA 0.303 4.620 4.320 -0.004 0.000 0.205 114 A C 0.646 178.367 177.584 0.229 0.000 1.235 114 A CA 0.958 53.113 52.037 0.196 0.000 0.822 114 A CB -0.072 18.860 19.000 -0.114 0.000 0.903 114 A HN 0.697 nan 8.150 nan 0.000 0.473 115 T N -5.488 109.190 114.554 0.206 0.000 2.787 115 T HA 0.505 4.852 4.350 -0.004 0.000 0.297 115 T C -2.965 171.865 174.700 0.217 0.000 1.221 115 T CA -1.202 61.017 62.100 0.198 0.000 1.006 115 T CB 1.242 70.189 68.868 0.133 0.000 1.328 115 T HN -0.175 nan 8.240 nan 0.000 0.509 116 P HA 0.204 nan 4.420 nan 0.000 0.239 116 P C 0.705 178.177 177.300 0.286 0.000 1.184 116 P CA 0.343 63.545 63.100 0.170 0.000 0.760 116 P CB 0.113 31.918 31.700 0.175 0.000 0.884 117 R N -2.951 117.729 120.500 0.300 0.000 2.526 117 R HA 0.270 4.608 4.340 -0.004 0.000 0.346 117 R C -0.175 176.396 176.300 0.451 0.000 0.926 117 R CA 0.348 56.673 56.100 0.376 0.000 1.147 117 R CB 0.500 30.934 30.300 0.224 0.000 1.629 117 R HN 0.050 nan 8.270 nan 0.000 0.516 118 T N 0.974 115.765 114.554 0.394 0.000 2.916 118 T HA 0.348 4.696 4.350 -0.004 0.000 0.298 118 T C -0.425 174.376 174.700 0.170 0.000 1.031 118 T CA -0.549 61.734 62.100 0.305 0.000 0.993 118 T CB 2.517 71.429 68.868 0.074 0.000 1.045 118 T HN 0.084 nan 8.240 nan 0.000 0.454 119 S N 2.244 117.986 115.700 0.070 0.000 2.593 119 S HA 0.840 5.308 4.470 -0.004 0.000 0.297 119 S C -0.867 173.629 174.600 -0.174 0.000 1.112 119 S CA -0.945 57.033 58.200 -0.370 0.000 1.043 119 S CB 1.472 64.317 63.200 -0.592 0.000 1.054 119 S HN 0.584 nan 8.310 nan 0.000 0.516 120 L N 2.164 123.269 121.223 -0.195 0.000 2.362 120 L HA 0.773 5.111 4.340 -0.004 0.000 0.275 120 L C -1.437 175.358 176.870 -0.126 0.000 0.998 120 L CA -0.900 53.850 54.840 -0.149 0.000 0.820 120 L CB 1.639 43.653 42.059 -0.075 0.000 1.270 120 L HN 0.826 nan 8.230 nan 0.000 0.415 121 L N 4.384 125.518 121.223 -0.148 0.000 2.333 121 L HA 0.564 4.901 4.340 -0.004 0.000 0.280 121 L C -0.637 176.251 176.870 0.031 0.000 1.004 121 L CA -0.021 54.775 54.840 -0.074 0.000 0.820 121 L CB 1.564 43.577 42.059 -0.076 0.000 1.247 121 L HN 0.807 nan 8.230 nan 0.000 0.416 122 E N 3.155 123.403 120.200 0.079 0.000 2.109 122 E HA 0.345 4.692 4.350 -0.004 0.000 0.278 122 E C -1.232 175.364 176.600 -0.006 0.000 0.954 122 E CA -0.432 56.014 56.400 0.077 0.000 0.779 122 E CB 0.959 30.774 29.700 0.192 0.000 1.093 122 E HN 0.700 nan 8.360 nan 0.000 0.401 123 T N 5.531 120.027 114.554 -0.097 0.000 2.929 123 T HA 0.180 4.528 4.350 -0.004 0.000 0.331 123 T C -0.313 174.335 174.700 -0.086 0.000 1.120 123 T CA -0.473 61.608 62.100 -0.032 0.000 0.973 123 T CB 0.443 69.342 68.868 0.052 0.000 1.036 123 T HN 0.313 nan 8.240 nan 0.000 0.502 124 K N 4.708 125.074 120.400 -0.058 0.000 2.262 124 K HA 0.457 4.774 4.320 -0.004 0.000 0.282 124 K C -0.727 175.851 176.600 -0.037 0.000 1.066 124 K CA -0.466 55.790 56.287 -0.052 0.000 0.901 124 K CB 0.372 32.860 32.500 -0.021 0.000 1.089 124 K HN 0.543 nan 8.250 nan 0.000 0.476 125 I N 3.505 124.057 120.570 -0.030 0.000 2.378 125 I HA 0.181 4.348 4.170 -0.004 0.000 0.291 125 I C -0.322 175.794 176.117 -0.001 0.000 0.992 125 I CA -0.686 60.605 61.300 -0.016 0.000 1.154 125 I CB 2.160 40.155 38.000 -0.008 0.000 1.315 125 I HN 0.497 nan 8.210 nan 0.000 0.448 126 T N 4.395 118.956 114.554 0.012 0.000 2.772 126 T HA 0.482 4.830 4.350 -0.004 0.000 0.288 126 T C -0.434 174.283 174.700 0.028 0.000 0.994 126 T CA -0.489 61.622 62.100 0.019 0.000 0.951 126 T CB 1.155 70.036 68.868 0.021 0.000 0.933 126 T HN 0.604 nan 8.240 nan 0.000 0.447 127 S N 2.008 117.718 115.700 0.017 0.000 2.550 127 S HA 0.401 4.868 4.470 -0.004 0.000 0.270 127 S C 0.263 174.866 174.600 0.006 0.000 1.145 127 S CA -0.796 57.412 58.200 0.013 0.000 0.852 127 S CB 0.982 64.186 63.200 0.007 0.000 1.119 127 S HN 0.738 nan 8.310 nan 0.000 0.465 128 N N 2.317 121.019 118.700 0.004 0.000 2.282 128 N HA 0.254 4.991 4.740 -0.004 0.000 0.185 128 N C -0.134 175.378 175.510 0.003 0.000 1.099 128 N CA 0.059 53.111 53.050 0.004 0.000 0.878 128 N CB 0.130 38.619 38.487 0.003 0.000 0.993 128 N HN 0.415 nan 8.380 nan 0.000 0.481 129 K N -0.127 120.272 120.400 -0.002 0.000 2.340 129 K HA 0.482 4.799 4.320 -0.004 0.000 0.244 129 K C -2.860 173.732 176.600 -0.013 0.000 0.973 129 K CA -2.359 53.928 56.287 0.000 0.000 0.828 129 K CB 1.800 34.300 32.500 0.000 0.000 1.226 129 K HN -0.121 nan 8.250 nan 0.000 0.437 130 P HA 0.107 nan 4.420 nan 0.000 0.269 130 P C -0.969 176.267 177.300 -0.107 0.000 1.209 130 P CA 0.146 63.208 63.100 -0.063 0.000 0.776 130 P CB 0.523 32.258 31.700 0.058 0.000 0.876 131 L N 2.039 123.116 121.223 -0.244 0.000 2.333 131 L HA 0.509 4.846 4.340 -0.004 0.000 0.263 131 L C -0.269 176.467 176.870 -0.224 0.000 1.014 131 L CA -0.844 53.904 54.840 -0.153 0.000 0.820 131 L CB 1.999 44.010 42.059 -0.080 0.000 1.352 131 L HN 0.175 nan 8.230 nan 0.000 0.421 132 D N 2.485 122.866 120.400 -0.033 0.000 2.308 132 D HA 0.522 5.159 4.640 -0.004 0.000 0.242 132 D C -0.764 175.518 176.300 -0.030 0.000 1.059 132 D CA -0.196 53.806 54.000 0.004 0.000 0.830 132 D CB 2.324 43.159 40.800 0.059 0.000 1.161 132 D HN 0.203 nan 8.370 nan 0.000 0.494 133 L N 1.388 122.522 121.223 -0.148 0.000 2.317 133 L HA 0.597 4.934 4.340 -0.004 0.000 0.281 133 L C -0.326 176.252 176.870 -0.486 0.000 1.024 133 L CA -1.025 53.569 54.840 -0.410 0.000 0.810 133 L CB 1.837 43.490 42.059 -0.677 0.000 1.240 133 L HN -0.041 nan 8.230 nan 0.000 0.427 134 V N 1.464 121.066 119.914 -0.521 0.000 2.569 134 V HA 0.413 4.530 4.120 -0.004 0.000 0.301 134 V C -0.927 174.965 176.094 -0.338 0.000 1.044 134 V CA -0.570 61.553 62.300 -0.295 0.000 0.874 134 V CB 2.047 33.809 31.823 -0.102 0.000 1.002 134 V HN 0.612 nan 8.190 nan 0.000 0.424 135 W N 4.017 125.351 121.300 0.058 0.000 2.529 135 W HA 0.589 5.247 4.660 -0.004 0.000 0.321 135 W C -0.412 176.047 176.519 -0.100 0.000 1.047 135 W CA -0.451 56.920 57.345 0.043 0.000 1.216 135 W CB 2.179 31.726 29.460 0.145 0.000 1.357 135 W HN 0.720 nan 8.180 nan 0.000 0.489 136 D N 0.781 121.114 120.400 -0.111 0.000 2.523 136 D HA 0.757 5.394 4.640 -0.004 0.000 0.236 136 D C -0.507 175.256 176.300 -0.894 0.000 1.094 136 D CA -0.504 53.139 54.000 -0.595 0.000 0.942 136 D CB 2.576 43.188 40.800 -0.314 0.000 1.447 136 D HN 0.427 nan 8.370 nan 0.000 0.479 137 G N -0.595 107.406 108.800 -1.331 0.000 2.646 137 G HA2 0.491 4.449 3.960 -0.004 0.000 0.291 137 G HA3 0.491 4.449 3.960 -0.004 0.000 0.291 137 G C -1.876 172.824 174.900 -0.333 0.000 1.445 137 G CA -0.801 43.817 45.100 -0.804 0.000 0.814 137 G HN 0.637 nan 8.290 nan 0.000 0.495 138 E N 0.431 120.696 120.200 0.109 0.000 2.343 138 E HA 0.372 4.719 4.350 -0.004 0.000 0.286 138 E C -0.767 175.983 176.600 0.250 0.000 0.915 138 E CA -0.685 55.809 56.400 0.158 0.000 0.784 138 E CB 1.717 31.434 29.700 0.029 0.000 1.251 138 E HN 0.478 nan 8.360 nan 0.000 0.407 139 L N 4.177 125.541 121.223 0.236 0.000 2.439 139 L HA 0.255 4.592 4.340 -0.004 0.000 0.269 139 L C 0.643 177.556 176.870 0.071 0.000 1.179 139 L CA -0.353 54.569 54.840 0.136 0.000 0.828 139 L CB 0.203 42.325 42.059 0.105 0.000 1.106 139 L HN 0.510 nan 8.230 nan 0.000 0.467 140 L N 1.647 122.895 121.223 0.042 0.000 2.476 140 L HA 0.017 4.354 4.340 -0.004 0.000 0.264 140 L C 1.161 178.048 176.870 0.028 0.000 1.224 140 L CA 0.528 55.375 54.840 0.011 0.000 0.821 140 L CB 0.464 42.530 42.059 0.012 0.000 1.101 140 L HN 0.776 nan 8.230 nan 0.000 0.488 141 E N 0.138 120.333 120.200 -0.009 0.000 2.475 141 E HA 0.096 4.444 4.350 -0.004 0.000 0.205 141 E C -0.053 176.558 176.600 0.018 0.000 0.822 141 E CA -0.183 56.226 56.400 0.014 0.000 1.240 141 E CB 0.622 30.319 29.700 -0.006 0.000 1.222 141 E HN 0.463 nan 8.360 nan 0.000 0.581 142 K N 1.606 121.975 120.400 -0.052 0.000 2.298 142 K HA 0.084 4.401 4.320 -0.004 0.000 0.280 142 K C 0.812 177.496 176.600 0.140 0.000 1.032 142 K CA -0.303 55.987 56.287 0.006 0.000 0.958 142 K CB 1.763 34.149 32.500 -0.189 0.000 0.978 142 K HN 0.067 nan 8.250 nan 0.000 0.472 143 L N 2.850 124.183 121.223 0.182 0.000 2.034 143 L HA -0.074 4.263 4.340 -0.004 0.000 0.203 143 L C 0.395 177.342 176.870 0.129 0.000 1.074 143 L CA 1.604 56.536 54.840 0.153 0.000 0.748 143 L CB 0.049 42.157 42.059 0.081 0.000 0.905 143 L HN 0.781 nan 8.230 nan 0.000 0.439 144 E N -0.758 119.492 120.200 0.084 0.000 2.340 144 E HA 0.684 5.032 4.350 -0.004 0.000 0.273 144 E C -1.386 174.956 176.600 -0.431 0.000 0.891 144 E CA -0.780 55.524 56.400 -0.160 0.000 0.757 144 E CB 2.009 31.607 29.700 -0.171 0.000 1.231 144 E HN 0.192 nan 8.360 nan 0.000 0.439 145 A N 2.141 124.583 122.820 -0.630 0.000 2.594 145 A HA 0.635 4.953 4.320 -0.004 0.000 0.295 145 A C -1.534 175.818 177.584 -0.387 0.000 1.071 145 A CA -0.928 50.660 52.037 -0.749 0.000 0.685 145 A CB 2.111 20.158 19.000 -1.589 0.000 1.285 145 A HN 0.571 nan 8.150 nan 0.000 0.405 146 K N 1.359 121.593 120.400 -0.277 0.000 2.450 146 K HA 0.455 4.772 4.320 -0.004 0.000 0.257 146 K C -0.582 175.841 176.600 -0.295 0.000 0.953 146 K CA -0.272 55.895 56.287 -0.200 0.000 0.844 146 K CB 0.562 33.009 32.500 -0.089 0.000 1.103 146 K HN 0.618 nan 8.250 nan 0.000 0.429 147 E N 2.747 122.713 120.200 -0.390 0.000 2.360 147 E HA -0.265 4.082 4.350 -0.004 0.000 0.238 147 E C 0.526 176.982 176.600 -0.241 0.000 1.186 147 E CA 1.397 57.523 56.400 -0.457 0.000 0.719 147 E CB -1.521 27.617 29.700 -0.937 0.000 1.236 147 E HN 1.187 nan 8.360 nan 0.000 0.386 148 G N -1.049 107.646 108.800 -0.176 0.000 2.258 148 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.233 148 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.233 148 G C 0.189 175.047 174.900 -0.070 0.000 1.006 148 G CA 0.419 45.481 45.100 -0.062 0.000 0.620 148 G HN 0.106 nan 8.290 nan 0.000 0.511 149 K N 2.097 122.422 120.400 -0.126 0.000 2.183 149 K HA 0.471 4.789 4.320 -0.004 0.000 0.274 149 K C -2.399 174.077 176.600 -0.206 0.000 1.009 149 K CA -2.240 53.988 56.287 -0.098 0.000 0.888 149 K CB 1.947 34.423 32.500 -0.040 0.000 1.078 149 K HN 0.233 nan 8.250 nan 0.000 0.459 150 P HA 0.048 nan 4.420 nan 0.000 0.267 150 P C 0.405 177.628 177.300 -0.128 0.000 1.205 150 P CA 0.040 63.012 63.100 -0.213 0.000 0.765 150 P CB 0.709 32.424 31.700 0.024 0.000 0.828 151 L N 1.657 122.791 121.223 -0.149 0.000 2.418 151 L HA 0.020 4.358 4.340 -0.004 0.000 0.218 151 L C 1.349 178.195 176.870 -0.040 0.000 1.125 151 L CA 0.843 55.635 54.840 -0.080 0.000 0.835 151 L CB -0.226 41.784 42.059 -0.082 0.000 0.953 151 L HN 0.591 nan 8.230 nan 0.000 0.454 152 S N -2.381 113.302 115.700 -0.029 0.000 2.655 152 S HA 0.167 4.635 4.470 -0.004 0.000 0.266 152 S C -0.840 173.776 174.600 0.027 0.000 1.149 152 S CA -0.404 57.794 58.200 -0.002 0.000 0.818 152 S CB 1.088 64.283 63.200 -0.008 0.000 1.130 152 S HN 0.113 nan 8.310 nan 0.000 0.476 153 D N -0.459 119.958 120.400 0.028 0.000 2.368 153 D HA 0.203 4.841 4.640 -0.004 0.000 0.218 153 D C -0.081 176.241 176.300 0.037 0.000 1.112 153 D CA -0.376 53.650 54.000 0.043 0.000 0.834 153 D CB -0.188 40.631 40.800 0.031 0.000 0.953 153 D HN 0.490 nan 8.370 nan 0.000 0.505 154 K N 0.868 121.282 120.400 0.024 0.000 2.489 154 K HA 0.189 4.506 4.320 -0.004 0.000 0.278 154 K C 0.665 177.283 176.600 0.031 0.000 1.000 154 K CA 0.309 56.601 56.287 0.007 0.000 1.012 154 K CB 0.520 33.006 32.500 -0.023 0.000 0.903 154 K HN 0.296 nan 8.250 nan 0.000 0.485 155 T N -1.025 113.543 114.554 0.024 0.000 2.936 155 T HA 0.330 4.677 4.350 -0.004 0.000 0.282 155 T C 1.474 176.213 174.700 0.065 0.000 1.003 155 T CA -0.847 61.283 62.100 0.050 0.000 1.005 155 T CB 0.731 69.627 68.868 0.046 0.000 1.097 155 T HN 0.435 nan 8.240 nan 0.000 0.532 156 I N 0.914 121.560 120.570 0.126 0.000 2.163 156 I HA -0.023 4.144 4.170 -0.004 0.000 0.240 156 I C 3.049 179.322 176.117 0.261 0.000 1.081 156 I CA 1.474 62.915 61.300 0.236 0.000 1.353 156 I CB -0.793 37.380 38.000 0.288 0.000 1.054 156 I HN 0.864 nan 8.210 nan 0.000 0.407 157 A N 0.914 123.856 122.820 0.204 0.000 1.940 157 A HA -0.132 4.185 4.320 -0.004 0.000 0.219 157 A C 2.399 180.051 177.584 0.113 0.000 1.176 157 A CA 1.961 54.110 52.037 0.186 0.000 0.631 157 A CB -1.426 17.651 19.000 0.128 0.000 0.814 157 A HN 0.488 nan 8.150 nan 0.000 0.446 158 G N -0.555 108.277 108.800 0.053 0.000 2.404 158 G HA2 -0.208 3.749 3.960 -0.004 0.000 0.215 158 G HA3 -0.208 3.749 3.960 -0.004 0.000 0.215 158 G C 1.460 176.316 174.900 -0.072 0.000 1.174 158 G CA 1.194 46.295 45.100 0.001 0.000 0.780 158 G HN 0.583 nan 8.290 nan 0.000 0.537 159 E N -0.364 119.731 120.200 -0.176 0.000 2.150 159 E HA -0.059 4.288 4.350 -0.004 0.000 0.193 159 E C -0.071 176.144 176.600 -0.642 0.000 0.985 159 E CA 0.576 56.691 56.400 -0.474 0.000 0.814 159 E CB -0.129 29.135 29.700 -0.726 0.000 0.752 159 E HN 0.503 nan 8.360 nan 0.000 0.466 160 Y N -0.960 119.359 120.300 0.031 0.000 2.748 160 Y HA 0.325 4.872 4.550 -0.004 0.000 0.359 160 Y C -2.046 173.911 175.900 0.094 0.000 1.030 160 Y CA -2.742 55.376 58.100 0.030 0.000 1.169 160 Y CB 1.270 39.703 38.460 -0.045 0.000 1.127 160 Y HN 0.045 nan 8.280 nan 0.000 0.644 161 P HA -0.168 nan 4.420 nan 0.000 0.216 161 P C 0.719 178.114 177.300 0.158 0.000 1.150 161 P CA 1.731 64.909 63.100 0.130 0.000 0.843 161 P CB 0.456 32.204 31.700 0.079 0.000 0.787 162 D N -2.989 117.518 120.400 0.179 0.000 2.340 162 D HA -0.058 4.579 4.640 -0.004 0.000 0.220 162 D C 1.539 177.989 176.300 0.249 0.000 1.039 162 D CA 0.182 54.285 54.000 0.171 0.000 0.866 162 D CB -0.462 40.417 40.800 0.131 0.000 0.913 162 D HN 0.142 nan 8.370 nan 0.000 0.523 163 Y N 2.006 122.387 120.300 0.134 0.000 2.165 163 Y HA -0.191 4.357 4.550 -0.004 0.000 0.286 163 Y C 0.738 176.719 175.900 0.136 0.000 1.155 163 Y CA 1.080 59.263 58.100 0.137 0.000 1.164 163 Y CB -0.330 38.225 38.460 0.158 0.000 0.978 163 Y HN 0.041 nan 8.280 nan 0.000 0.513 164 Q N 1.290 121.202 119.800 0.187 0.000 2.417 164 Q HA -0.292 4.045 4.340 -0.004 0.000 0.350 164 Q C -0.192 175.764 176.000 -0.073 0.000 1.364 164 Q CA 0.522 56.356 55.803 0.052 0.000 1.024 164 Q CB -1.370 27.401 28.738 0.056 0.000 1.235 164 Q HN 0.477 nan 8.270 nan 0.000 0.388 165 R N 1.393 121.788 120.500 -0.174 0.000 2.623 165 R HA 0.241 4.579 4.340 -0.004 0.000 0.271 165 R C 0.299 176.478 176.300 -0.201 0.000 1.043 165 R CA 0.502 56.417 56.100 -0.309 0.000 1.083 165 R CB 0.548 30.663 30.300 -0.308 0.000 0.974 165 R HN 0.189 nan 8.270 nan 0.000 0.436 166 K N 3.336 123.580 120.400 -0.260 0.000 2.565 166 K HA 0.262 4.580 4.320 -0.004 0.000 0.251 166 K C -1.312 175.200 176.600 -0.147 0.000 0.956 166 K CA -0.495 55.703 56.287 -0.149 0.000 0.809 166 K CB 1.165 33.598 32.500 -0.112 0.000 1.267 166 K HN 0.460 nan 8.250 nan 0.000 0.438 167 I N 2.783 123.317 120.570 -0.060 0.000 2.331 167 I HA 0.256 4.424 4.170 -0.004 0.000 0.292 167 I C -0.286 175.800 176.117 -0.052 0.000 0.998 167 I CA -0.488 60.793 61.300 -0.032 0.000 1.267 167 I CB 1.867 39.910 38.000 0.071 0.000 1.386 167 I HN 0.476 nan 8.210 nan 0.000 0.476 168 S N 4.076 119.725 115.700 -0.086 0.000 2.526 168 S HA 0.719 5.186 4.470 -0.004 0.000 0.293 168 S C -0.152 174.377 174.600 -0.118 0.000 1.092 168 S CA -0.703 57.447 58.200 -0.084 0.000 0.980 168 S CB 1.983 65.135 63.200 -0.079 0.000 1.048 168 S HN 0.722 nan 8.310 nan 0.000 0.483 169 A N 2.180 124.939 122.820 -0.101 0.000 2.351 169 A HA 0.728 5.045 4.320 -0.004 0.000 0.257 169 A C 0.503 178.014 177.584 -0.122 0.000 1.087 169 A CA -0.322 51.642 52.037 -0.122 0.000 0.798 169 A CB 0.027 18.980 19.000 -0.077 0.000 1.033 169 A HN 0.862 nan 8.150 nan 0.000 0.488 170 T N -1.751 112.713 114.554 -0.150 0.000 2.883 170 T HA 0.494 4.841 4.350 -0.004 0.000 0.296 170 T C 1.092 175.717 174.700 -0.125 0.000 1.117 170 T CA -0.397 61.617 62.100 -0.144 0.000 1.006 170 T CB 1.327 70.067 68.868 -0.213 0.000 1.191 170 T HN 0.807 nan 8.240 nan 0.000 0.508 171 R N 1.212 121.655 120.500 -0.095 0.000 2.083 171 R HA -0.121 4.217 4.340 -0.004 0.000 0.237 171 R C 0.624 176.874 176.300 -0.083 0.000 1.137 171 R CA 2.168 58.227 56.100 -0.068 0.000 0.951 171 R CB -0.981 29.294 30.300 -0.042 0.000 0.851 171 R HN 0.764 nan 8.270 nan 0.000 0.434 172 D N -0.238 120.093 120.400 -0.115 0.000 2.388 172 D HA 0.275 4.913 4.640 -0.004 0.000 0.221 172 D C 0.740 176.908 176.300 -0.220 0.000 1.133 172 D CA 0.300 54.224 54.000 -0.127 0.000 0.831 172 D CB 0.883 41.647 40.800 -0.060 0.000 0.962 172 D HN 0.474 nan 8.370 nan 0.000 0.502 173 G N 0.051 108.700 108.800 -0.252 0.000 2.553 173 G HA2 0.332 4.289 3.960 -0.004 0.000 0.106 173 G HA3 0.332 4.289 3.960 -0.004 0.000 0.106 173 G C -1.417 173.289 174.900 -0.324 0.000 1.126 173 G CA -0.229 44.683 45.100 -0.313 0.000 1.075 173 G HN 0.499 nan 8.290 nan 0.000 0.472 174 L N -2.061 118.940 121.223 -0.370 0.000 2.801 174 L HA 0.992 5.330 4.340 -0.004 0.000 0.264 174 L C -1.256 175.457 176.870 -0.262 0.000 1.086 174 L CA -1.034 53.605 54.840 -0.336 0.000 0.920 174 L CB 2.154 43.920 42.059 -0.489 0.000 1.529 174 L HN 1.073 nan 8.230 nan 0.000 0.399 175 K N -0.153 120.141 120.400 -0.177 0.000 2.568 175 K HA 0.787 5.104 4.320 -0.004 0.000 0.273 175 K C -2.060 174.498 176.600 -0.070 0.000 0.951 175 K CA -0.915 55.314 56.287 -0.096 0.000 0.854 175 K CB 2.549 34.986 32.500 -0.104 0.000 1.424 175 K HN 0.427 nan 8.250 nan 0.000 0.427 176 V N 1.744 121.621 119.914 -0.063 0.000 2.487 176 V HA 0.446 4.563 4.120 -0.004 0.000 0.298 176 V C -0.338 175.434 176.094 -0.537 0.000 1.028 176 V CA -0.535 61.603 62.300 -0.269 0.000 0.860 176 V CB 1.598 33.261 31.823 -0.267 0.000 0.991 176 V HN 0.989 nan 8.190 nan 0.000 0.427 177 T N 1.399 115.615 114.554 -0.562 0.000 2.929 177 T HA 0.817 5.164 4.350 -0.004 0.000 0.284 177 T C -0.912 173.348 174.700 -0.734 0.000 1.014 177 T CA -0.463 61.355 62.100 -0.471 0.000 1.051 177 T CB 1.336 70.086 68.868 -0.197 0.000 1.028 177 T HN 0.195 nan 8.240 nan 0.000 0.485 178 F N 0.247 120.177 119.950 -0.034 0.000 2.529 178 F HA 0.644 5.169 4.527 -0.004 0.000 0.320 178 F C 0.910 176.730 175.800 0.035 0.000 1.118 178 F CA -0.920 57.044 58.000 -0.060 0.000 0.915 178 F CB 1.875 40.877 39.000 0.003 0.000 1.161 178 F HN 1.005 nan 8.300 nan 0.000 0.445 179 G N 1.282 110.223 108.800 0.236 0.000 2.599 179 G HA2 0.266 4.223 3.960 -0.004 0.000 0.264 179 G HA3 0.266 4.223 3.960 -0.004 0.000 0.264 179 G C -0.845 174.187 174.900 0.221 0.000 1.200 179 G CA -0.791 44.423 45.100 0.191 0.000 0.896 179 G HN 0.639 nan 8.290 nan 0.000 0.536 180 K N -0.382 120.101 120.400 0.138 0.000 2.379 180 K HA 0.355 4.672 4.320 -0.004 0.000 0.284 180 K C -0.942 175.706 176.600 0.080 0.000 1.044 180 K CA -0.177 56.167 56.287 0.094 0.000 0.974 180 K CB 0.465 33.003 32.500 0.062 0.000 0.962 180 K HN 0.108 nan 8.250 nan 0.000 0.474 181 V N 6.161 126.092 119.914 0.027 0.000 2.524 181 V HA 0.296 4.413 4.120 -0.004 0.000 0.297 181 V C -0.212 175.843 176.094 -0.065 0.000 1.035 181 V CA -0.885 61.397 62.300 -0.030 0.000 0.867 181 V CB 1.618 33.340 31.823 -0.168 0.000 1.004 181 V HN 0.751 nan 8.190 nan 0.000 0.426 182 R N 3.217 123.697 120.500 -0.033 0.000 3.585 182 R HA 0.429 4.766 4.340 -0.004 0.000 0.324 182 R C 0.423 176.690 176.300 -0.054 0.000 1.372 182 R CA -0.169 55.903 56.100 -0.047 0.000 1.291 182 R CB 1.119 31.401 30.300 -0.030 0.000 1.470 182 R HN 0.720 nan 8.270 nan 0.000 0.633 183 A N 0.879 123.663 122.820 -0.061 0.000 2.915 183 A HA 0.158 4.475 4.320 -0.004 0.000 0.292 183 A C 1.296 178.824 177.584 -0.092 0.000 1.632 183 A CA -0.192 51.825 52.037 -0.032 0.000 1.337 183 A CB -0.188 18.826 19.000 0.023 0.000 1.111 183 A HN 0.356 nan 8.150 nan 0.000 0.569 184 T N 1.089 115.507 114.554 -0.227 0.000 2.731 184 T HA -0.284 4.064 4.350 -0.004 0.000 0.263 184 T C 0.840 175.302 174.700 -0.396 0.000 1.033 184 T CA 2.584 64.384 62.100 -0.500 0.000 1.160 184 T CB -0.335 67.911 68.868 -1.037 0.000 0.849 184 T HN 0.895 nan 8.240 nan 0.000 0.469 185 W N 0.288 121.681 121.300 0.155 0.000 3.005 185 W HA 0.360 5.018 4.660 -0.003 0.000 0.374 185 W C 1.331 177.483 176.519 -0.612 0.000 1.076 185 W CA -0.693 56.704 57.345 0.087 0.000 1.794 185 W CB 0.686 30.312 29.460 0.277 0.000 1.113 185 W HN 0.191 nan 8.180 nan 0.000 0.584 186 D N -0.969 119.166 120.400 -0.441 0.000 2.272 186 D HA 0.127 4.765 4.640 -0.004 0.000 0.308 186 D C -0.465 175.584 176.300 -0.419 0.000 1.104 186 D CA 0.251 53.932 54.000 -0.532 0.000 0.939 186 D CB 0.864 41.616 40.800 -0.080 0.000 1.733 186 D HN -0.142 nan 8.370 nan 0.000 0.517 187 L N 1.679 122.738 121.223 -0.273 0.000 2.505 187 L HA 0.441 4.778 4.340 -0.004 0.000 0.266 187 L C -2.126 174.621 176.870 -0.205 0.000 0.954 187 L CA -0.401 54.248 54.840 -0.318 0.000 0.852 187 L CB 1.881 43.455 42.059 -0.808 0.000 1.282 187 L HN -0.140 nan 8.230 nan 0.000 0.403 188 L N 4.708 125.855 121.223 -0.127 0.000 2.404 188 L HA 0.779 5.116 4.340 -0.004 0.000 0.272 188 L C -0.518 176.233 176.870 -0.198 0.000 0.980 188 L CA -0.399 54.358 54.840 -0.138 0.000 0.836 188 L CB 2.154 44.154 42.059 -0.099 0.000 1.238 188 L HN 0.747 nan 8.230 nan 0.000 0.408 189 T N -2.459 112.004 114.554 -0.152 0.000 2.903 189 T HA 0.294 4.641 4.350 -0.004 0.000 0.299 189 T C 0.773 175.439 174.700 -0.056 0.000 1.093 189 T CA -0.090 61.942 62.100 -0.113 0.000 1.002 189 T CB 1.921 70.787 68.868 -0.003 0.000 1.127 189 T HN 0.501 nan 8.240 nan 0.000 0.488 190 S N 0.839 116.514 115.700 -0.042 0.000 2.414 190 S HA 0.373 4.840 4.470 -0.004 0.000 0.227 190 S C 1.895 176.521 174.600 0.043 0.000 1.022 190 S CA 0.908 59.113 58.200 0.008 0.000 0.958 190 S CB -0.760 62.454 63.200 0.024 0.000 0.797 190 S HN 2.308 nan 8.310 nan 0.000 0.493 191 G N 0.191 109.035 108.800 0.073 0.000 2.192 191 G HA2 -0.130 3.827 3.960 -0.004 0.000 0.193 191 G HA3 -0.130 3.827 3.960 -0.004 0.000 0.193 191 G C 0.437 175.390 174.900 0.088 0.000 0.999 191 G CA 0.262 45.418 45.100 0.092 0.000 0.659 191 G HN 0.411 nan 8.290 nan 0.000 0.503 192 E N 0.435 120.685 120.200 0.083 0.000 2.641 192 E HA 0.176 4.524 4.350 -0.004 0.000 0.224 192 E C 1.053 177.710 176.600 0.095 0.000 0.951 192 E CA 0.671 57.115 56.400 0.073 0.000 1.102 192 E CB 0.878 30.608 29.700 0.049 0.000 1.091 192 E HN 0.688 nan 8.360 nan 0.000 0.507 193 S N 0.635 116.417 115.700 0.138 0.000 2.576 193 S HA 0.399 4.866 4.470 -0.004 0.000 0.276 193 S C 0.176 174.996 174.600 0.367 0.000 1.339 193 S CA -0.267 58.041 58.200 0.180 0.000 1.039 193 S CB 1.777 65.055 63.200 0.130 0.000 0.902 193 S HN -0.005 nan 8.310 nan 0.000 0.516 194 E N 0.245 120.658 120.200 0.355 0.000 2.433 194 E HA 0.339 4.686 4.350 -0.004 0.000 0.278 194 E C -2.076 174.822 176.600 0.497 0.000 0.976 194 E CA -0.700 55.915 56.400 0.359 0.000 0.793 194 E CB 1.763 31.548 29.700 0.143 0.000 1.311 194 E HN 0.696 nan 8.360 nan 0.000 0.460 195 Y N 1.887 122.354 120.300 0.278 0.000 2.447 195 Y HA 0.253 4.801 4.550 -0.004 0.000 0.325 195 Y C -1.029 174.943 175.900 0.120 0.000 0.976 195 Y CA -0.403 57.825 58.100 0.213 0.000 1.280 195 Y CB 0.845 39.411 38.460 0.178 0.000 1.104 195 Y HN 0.353 nan 8.280 nan 0.000 0.486 196 Q N 4.069 123.731 119.800 -0.229 0.000 2.222 196 Q HA 0.668 5.005 4.340 -0.004 0.000 0.252 196 Q C -1.207 174.669 176.000 -0.206 0.000 0.926 196 Q CA -1.173 54.540 55.803 -0.149 0.000 0.899 196 Q CB 2.760 31.545 28.738 0.078 0.000 1.250 196 Q HN 0.431 nan 8.270 nan 0.000 0.441 197 V N 2.605 122.412 119.914 -0.179 0.000 2.407 197 V HA 0.298 4.416 4.120 -0.004 0.000 0.291 197 V C -1.186 174.733 176.094 -0.292 0.000 1.018 197 V CA -0.759 61.465 62.300 -0.126 0.000 0.842 197 V CB 1.054 32.840 31.823 -0.062 0.000 0.996 197 V HN 0.711 nan 8.190 nan 0.000 0.426 198 H N 2.978 121.920 119.070 -0.214 0.000 2.538 198 H HA 0.699 5.252 4.556 -0.004 0.000 0.353 198 H C -0.400 174.793 175.328 -0.226 0.000 1.109 198 H CA -0.642 55.289 56.048 -0.194 0.000 1.192 198 H CB 1.831 31.500 29.762 -0.155 0.000 1.555 198 H HN 0.527 nan 8.280 nan 0.000 0.518 199 K N 0.409 120.746 120.400 -0.105 0.000 2.400 199 K HA 0.278 4.595 4.320 -0.004 0.000 0.246 199 K C 0.330 176.897 176.600 -0.056 0.000 0.995 199 K CA -0.742 55.459 56.287 -0.143 0.000 0.840 199 K CB 2.085 34.417 32.500 -0.281 0.000 1.293 199 K HN 0.655 nan 8.250 nan 0.000 0.445 200 S N 0.307 115.996 115.700 -0.018 0.000 2.607 200 S HA 0.042 4.510 4.470 -0.004 0.000 0.224 200 S C 0.608 175.224 174.600 0.026 0.000 0.969 200 S CA -0.235 57.992 58.200 0.045 0.000 0.927 200 S CB -0.869 62.423 63.200 0.152 0.000 0.772 200 S HN 0.515 nan 8.310 nan 0.000 0.533 201 L N -2.766 118.450 121.223 -0.011 0.000 2.434 201 L HA 0.787 5.125 4.340 -0.004 0.000 0.260 201 L C -3.497 173.366 176.870 -0.012 0.000 0.983 201 L CA -2.596 52.249 54.840 0.009 0.000 0.820 201 L CB 1.212 43.296 42.059 0.041 0.000 1.361 201 L HN -0.290 nan 8.230 nan 0.000 0.410 202 P HA 0.280 nan 4.420 nan 0.000 0.269 202 P C -1.021 176.292 177.300 0.020 0.000 1.209 202 P CA -0.227 62.873 63.100 0.000 0.000 0.776 202 P CB 1.242 32.950 31.700 0.013 0.000 0.876 203 V N -0.215 119.700 119.914 0.000 0.000 2.888 203 V HA 0.409 4.527 4.120 -0.004 0.000 0.309 203 V C -0.890 175.225 176.094 0.035 0.000 1.114 203 V CA -0.893 61.437 62.300 0.049 0.000 0.940 203 V CB 2.113 33.943 31.823 0.012 0.000 1.021 203 V HN 0.330 nan 8.190 nan 0.000 0.426 204 Q N 2.231 122.072 119.800 0.069 0.000 2.389 204 Q HA 0.381 4.718 4.340 -0.004 0.000 0.244 204 Q C -0.406 175.630 176.000 0.060 0.000 1.056 204 Q CA -0.152 55.677 55.803 0.043 0.000 0.908 204 Q CB 1.172 29.933 28.738 0.039 0.000 1.273 204 Q HN 0.850 nan 8.270 nan 0.000 0.471 205 T N 2.774 117.345 114.554 0.028 0.000 2.728 205 T HA 0.176 4.524 4.350 -0.004 0.000 0.296 205 T C -0.234 174.492 174.700 0.044 0.000 0.940 205 T CA -0.326 61.799 62.100 0.042 0.000 1.013 205 T CB 0.811 69.645 68.868 -0.057 0.000 0.912 205 T HN 0.433 nan 8.240 nan 0.000 0.484 206 E N 3.059 123.313 120.200 0.089 0.000 2.166 206 E HA 0.467 4.815 4.350 -0.004 0.000 0.275 206 E C -1.015 175.645 176.600 0.101 0.000 0.941 206 E CA -0.749 55.691 56.400 0.066 0.000 0.784 206 E CB 0.681 30.409 29.700 0.047 0.000 1.115 206 E HN 0.376 nan 8.360 nan 0.000 0.399 207 I N 3.624 124.235 120.570 0.069 0.000 2.441 207 I HA 0.290 4.458 4.170 -0.004 0.000 0.295 207 I C -0.898 175.252 176.117 0.055 0.000 0.994 207 I CA -0.554 60.797 61.300 0.085 0.000 1.144 207 I CB 1.735 39.768 38.000 0.056 0.000 1.314 207 I HN 0.416 nan 8.210 nan 0.000 0.445 208 N N 4.204 122.941 118.700 0.061 0.000 2.607 208 N HA 0.586 5.323 4.740 -0.004 0.000 0.271 208 N C 0.318 175.851 175.510 0.039 0.000 1.142 208 N CA 0.221 53.292 53.050 0.036 0.000 0.810 208 N CB 1.730 40.230 38.487 0.022 0.000 1.306 208 N HN 0.919 nan 8.380 nan 0.000 0.536 209 G N 2.300 111.121 108.800 0.035 0.000 2.596 209 G HA2 -0.413 3.545 3.960 -0.004 0.000 0.304 209 G HA3 -0.413 3.545 3.960 -0.004 0.000 0.304 209 G C 0.464 175.395 174.900 0.052 0.000 1.189 209 G CA 0.326 45.446 45.100 0.034 0.000 0.986 209 G HN 0.534 nan 8.290 nan 0.000 0.548 210 N N 1.944 120.679 118.700 0.058 0.000 2.276 210 N HA 0.297 5.034 4.740 -0.004 0.000 0.212 210 N C 0.710 176.298 175.510 0.130 0.000 1.127 210 N CA 0.913 54.015 53.050 0.087 0.000 0.834 210 N CB 0.180 38.708 38.487 0.069 0.000 1.014 210 N HN 0.818 nan 8.380 nan 0.000 0.491 211 R N -0.462 120.103 120.500 0.107 0.000 2.867 211 R HA 0.633 4.970 4.340 -0.004 0.000 0.268 211 R C -1.101 175.279 176.300 0.133 0.000 1.014 211 R CA -0.933 55.216 56.100 0.082 0.000 0.946 211 R CB 1.105 31.397 30.300 -0.013 0.000 1.208 211 R HN -0.051 nan 8.270 nan 0.000 0.477 212 F N -1.712 118.220 119.950 -0.030 0.000 2.664 212 F HA 0.782 5.306 4.527 -0.004 0.000 0.317 212 F C -1.607 174.171 175.800 -0.037 0.000 1.108 212 F CA -0.907 57.067 58.000 -0.043 0.000 0.957 212 F CB 2.324 41.279 39.000 -0.074 0.000 1.365 212 F HN 0.495 nan 8.300 nan 0.000 0.475 213 T N 1.148 115.832 114.554 0.217 0.000 3.071 213 T HA 0.543 4.890 4.350 -0.004 0.000 0.311 213 T C -1.274 173.601 174.700 0.292 0.000 1.042 213 T CA -0.701 61.468 62.100 0.115 0.000 1.028 213 T CB 1.447 70.326 68.868 0.018 0.000 1.068 213 T HN 0.730 nan 8.240 nan 0.000 0.451 214 S N 2.669 118.597 115.700 0.379 0.000 2.537 214 S HA 0.694 5.161 4.470 -0.004 0.000 0.301 214 S C -0.522 174.298 174.600 0.368 0.000 1.092 214 S CA -0.994 57.431 58.200 0.375 0.000 1.048 214 S CB 1.407 64.871 63.200 0.440 0.000 1.053 214 S HN 0.528 nan 8.310 nan 0.000 0.501 215 K N 0.890 121.455 120.400 0.276 0.000 2.435 215 K HA 0.870 5.187 4.320 -0.004 0.000 0.251 215 K C -1.183 175.567 176.600 0.250 0.000 0.954 215 K CA -0.823 55.579 56.287 0.192 0.000 0.820 215 K CB 2.233 34.766 32.500 0.055 0.000 1.292 215 K HN 0.683 nan 8.250 nan 0.000 0.436 216 A N 1.335 124.275 122.820 0.200 0.000 2.605 216 A HA 0.404 4.722 4.320 -0.004 0.000 0.294 216 A C -2.069 175.608 177.584 0.154 0.000 1.062 216 A CA -0.662 51.511 52.037 0.227 0.000 0.682 216 A CB 1.404 20.648 19.000 0.407 0.000 1.278 216 A HN 0.761 nan 8.150 nan 0.000 0.410 217 H N 1.926 121.033 119.070 0.061 0.000 2.529 217 H HA 0.733 5.287 4.556 -0.004 0.000 0.348 217 H C -1.159 174.197 175.328 0.047 0.000 1.079 217 H CA -0.325 55.743 56.048 0.034 0.000 1.198 217 H CB 1.288 31.061 29.762 0.017 0.000 1.521 217 H HN 0.860 nan 8.280 nan 0.000 0.514 218 I N 1.820 122.141 120.570 -0.415 0.000 2.569 218 I HA 0.369 4.537 4.170 -0.004 0.000 0.296 218 I C -0.134 175.768 176.117 -0.357 0.000 1.028 218 I CA -1.024 60.146 61.300 -0.217 0.000 1.082 218 I CB 2.075 40.017 38.000 -0.097 0.000 1.264 218 I HN 0.366 nan 8.210 nan 0.000 0.429 219 N N 3.636 122.279 118.700 -0.095 0.000 2.398 219 N HA 0.280 5.017 4.740 -0.004 0.000 0.188 219 N C 0.426 175.921 175.510 -0.026 0.000 1.122 219 N CA 0.604 53.644 53.050 -0.018 0.000 0.866 219 N CB 0.890 39.420 38.487 0.073 0.000 0.970 219 N HN 0.995 nan 8.380 nan 0.000 0.462 220 G N -0.669 108.103 108.800 -0.046 0.000 2.351 220 G HA2 -0.016 3.942 3.960 -0.004 0.000 0.279 220 G HA3 -0.016 3.942 3.960 -0.004 0.000 0.279 220 G C -1.343 173.548 174.900 -0.015 0.000 1.297 220 G CA -0.779 44.308 45.100 -0.023 0.000 0.886 220 G HN -0.010 nan 8.290 nan 0.000 0.493 221 S N -0.014 115.684 115.700 -0.002 0.000 2.593 221 S HA 0.485 4.953 4.470 -0.004 0.000 0.300 221 S C 0.356 174.957 174.600 0.002 0.000 1.267 221 S CA 1.326 59.527 58.200 0.002 0.000 1.065 221 S CB 0.647 63.852 63.200 0.009 0.000 0.807 221 S HN 1.343 nan 8.310 nan 0.000 0.499 222 T N 1.985 116.536 114.554 -0.005 0.000 2.827 222 T HA 0.451 4.798 4.350 -0.004 0.000 0.328 222 T C -1.560 173.115 174.700 -0.041 0.000 1.598 222 T CA -0.623 61.471 62.100 -0.010 0.000 1.043 222 T CB 1.454 70.320 68.868 -0.003 0.000 1.447 222 T HN 0.410 nan 8.240 nan 0.000 0.491 223 T N 3.728 118.235 114.554 -0.078 0.000 2.815 223 T HA 0.619 4.966 4.350 -0.004 0.000 0.289 223 T C -0.204 174.254 174.700 -0.403 0.000 1.000 223 T CA -0.595 61.379 62.100 -0.209 0.000 0.958 223 T CB 0.240 69.001 68.868 -0.178 0.000 0.944 223 T HN 0.677 nan 8.240 nan 0.000 0.442 224 L N 0.799 121.775 121.223 -0.413 0.000 2.332 224 L HA 0.886 5.223 4.340 -0.004 0.000 0.269 224 L C -1.343 175.109 176.870 -0.696 0.000 1.016 224 L CA -1.246 53.347 54.840 -0.411 0.000 0.809 224 L CB 1.003 42.999 42.059 -0.106 0.000 1.280 224 L HN 0.408 nan 8.230 nan 0.000 0.447 225 Y N -1.111 119.170 120.300 -0.031 0.000 2.499 225 Y HA 0.718 5.265 4.550 -0.004 0.000 0.347 225 Y C -0.208 175.602 175.900 -0.151 0.000 0.987 225 Y CA -0.732 57.324 58.100 -0.072 0.000 1.044 225 Y CB 2.634 41.065 38.460 -0.049 0.000 1.245 225 Y HN 0.583 nan 8.280 nan 0.000 0.461 226 T N 1.221 115.723 114.554 -0.088 0.000 2.916 226 T HA 0.469 4.816 4.350 -0.004 0.000 0.298 226 T C -0.689 173.760 174.700 -0.419 0.000 1.031 226 T CA -1.043 60.876 62.100 -0.301 0.000 0.993 226 T CB 1.317 69.906 68.868 -0.466 0.000 1.045 226 T HN 0.651 nan 8.240 nan 0.000 0.454 227 T N 0.577 114.910 114.554 -0.368 0.000 2.824 227 T HA 0.716 5.063 4.350 -0.004 0.000 0.280 227 T C -1.288 173.203 174.700 -0.349 0.000 0.995 227 T CA -0.708 61.199 62.100 -0.321 0.000 1.009 227 T CB 0.690 69.445 68.868 -0.188 0.000 0.955 227 T HN 0.396 nan 8.240 nan 0.000 0.452 228 Y N 0.882 121.142 120.300 -0.067 0.000 2.328 228 Y HA 0.622 5.170 4.550 -0.004 0.000 0.336 228 Y C 0.167 175.933 175.900 -0.223 0.000 0.960 228 Y CA -1.143 56.862 58.100 -0.158 0.000 1.134 228 Y CB 2.176 40.705 38.460 0.114 0.000 1.166 228 Y HN 0.803 nan 8.280 nan 0.000 0.464 229 S N 1.973 117.499 115.700 -0.290 0.000 2.571 229 S HA 0.282 4.749 4.470 -0.004 0.000 0.284 229 S C -1.736 172.793 174.600 -0.118 0.000 1.128 229 S CA -0.744 57.358 58.200 -0.164 0.000 0.970 229 S CB 1.045 64.228 63.200 -0.028 0.000 1.039 229 S HN 0.613 nan 8.310 nan 0.000 0.485 230 H N 2.972 122.007 119.070 -0.058 0.000 2.595 230 H HA 0.617 5.171 4.556 -0.004 0.000 0.313 230 H C -1.369 174.065 175.328 0.177 0.000 1.023 230 H CA -0.722 55.433 56.048 0.178 0.000 1.218 230 H CB 0.074 30.006 29.762 0.284 0.000 1.403 230 H HN 0.482 nan 8.280 nan 0.000 0.477 231 L N 6.306 127.537 121.223 0.014 0.000 2.333 231 L HA 0.235 4.572 4.340 -0.004 0.000 0.280 231 L C 0.145 176.906 176.870 -0.182 0.000 1.004 231 L CA -0.750 54.045 54.840 -0.074 0.000 0.820 231 L CB 1.781 43.853 42.059 0.021 0.000 1.247 231 L HN 0.551 nan 8.230 nan 0.000 0.416 232 L N 1.504 122.577 121.223 -0.251 0.000 2.554 232 L HA 0.169 4.507 4.340 -0.004 0.000 0.225 232 L C 0.939 177.771 176.870 -0.063 0.000 1.104 232 L CA 0.520 55.211 54.840 -0.248 0.000 0.866 232 L CB 0.056 41.840 42.059 -0.457 0.000 1.047 232 L HN 0.768 nan 8.230 nan 0.000 0.468 233 T N -5.876 108.676 114.554 -0.005 0.000 2.896 233 T HA 0.654 5.002 4.350 -0.004 0.000 0.297 233 T C 0.909 175.623 174.700 0.023 0.000 1.108 233 T CA -0.255 61.865 62.100 0.033 0.000 1.004 233 T CB 1.827 70.731 68.868 0.059 0.000 1.159 233 T HN -0.134 nan 8.240 nan 0.000 0.499 234 A N 0.749 123.585 122.820 0.026 0.000 1.940 234 A HA -0.081 4.236 4.320 -0.004 0.000 0.219 234 A C 2.139 179.730 177.584 0.012 0.000 1.176 234 A CA 1.809 53.858 52.037 0.021 0.000 0.631 234 A CB -1.039 17.973 19.000 0.020 0.000 0.814 234 A HN 0.822 nan 8.150 nan 0.000 0.446 235 Q N -0.050 119.755 119.800 0.009 0.000 2.084 235 Q HA -0.128 4.209 4.340 -0.004 0.000 0.202 235 Q C 1.867 177.865 176.000 -0.002 0.000 0.978 235 Q CA 1.805 57.608 55.803 -0.000 0.000 0.844 235 Q CB -0.333 28.401 28.738 -0.007 0.000 0.898 235 Q HN 0.795 nan 8.270 nan 0.000 0.426 236 E N -0.318 119.881 120.200 -0.001 0.000 2.106 236 E HA -0.130 4.218 4.350 -0.004 0.000 0.192 236 E C 1.918 178.519 176.600 0.002 0.000 0.984 236 E CA 1.083 57.481 56.400 -0.003 0.000 0.806 236 E CB 0.065 29.758 29.700 -0.012 0.000 0.750 236 E HN 0.132 nan 8.360 nan 0.000 0.458 237 V N 0.857 120.776 119.914 0.008 0.000 2.295 237 V HA -0.267 3.851 4.120 -0.004 0.000 0.246 237 V C 2.243 178.340 176.094 0.004 0.000 1.049 237 V CA 1.951 64.259 62.300 0.014 0.000 1.024 237 V CB -0.445 31.392 31.823 0.023 0.000 0.648 237 V HN 0.208 nan 8.190 nan 0.000 0.447 238 S N -0.568 115.133 115.700 0.002 0.000 2.356 238 S HA -0.243 4.224 4.470 -0.004 0.000 0.223 238 S C 2.022 176.616 174.600 -0.010 0.000 1.032 238 S CA 1.779 59.977 58.200 -0.003 0.000 1.005 238 S CB -0.332 62.867 63.200 -0.002 0.000 0.867 238 S HN 0.578 nan 8.310 nan 0.000 0.449 239 K N 0.987 121.383 120.400 -0.008 0.000 2.097 239 K HA -0.151 4.167 4.320 -0.004 0.000 0.206 239 K C 2.088 178.680 176.600 -0.014 0.000 1.049 239 K CA 1.431 57.714 56.287 -0.008 0.000 0.933 239 K CB -0.091 32.407 32.500 -0.003 0.000 0.717 239 K HN 0.140 nan 8.250 nan 0.000 0.442 240 E N 0.434 120.624 120.200 -0.018 0.000 2.204 240 E HA -0.151 4.196 4.350 -0.004 0.000 0.194 240 E C 1.939 178.489 176.600 -0.083 0.000 0.989 240 E CA 1.010 57.388 56.400 -0.036 0.000 0.824 240 E CB 0.094 29.778 29.700 -0.027 0.000 0.756 240 E HN 0.249 nan 8.360 nan 0.000 0.477 241 Q N 0.037 119.788 119.800 -0.082 0.000 2.045 241 Q HA -0.227 4.110 4.340 -0.004 0.000 0.206 241 Q C 2.362 178.295 176.000 -0.112 0.000 0.991 241 Q CA 2.115 57.847 55.803 -0.118 0.000 0.851 241 Q CB -0.840 27.859 28.738 -0.064 0.000 0.911 241 Q HN 0.619 nan 8.270 nan 0.000 0.418 242 M N -0.723 118.837 119.600 -0.067 0.000 2.213 242 M HA -0.155 4.322 4.480 -0.004 0.000 0.263 242 M C 1.783 178.048 176.300 -0.059 0.000 1.062 242 M CA 1.671 56.940 55.300 -0.053 0.000 1.105 242 M CB -0.383 32.199 32.600 -0.029 0.000 1.385 242 M HN 0.052 nan 8.290 nan 0.000 0.417 243 Q N 1.157 120.918 119.800 -0.065 0.000 2.049 243 Q HA 0.001 4.338 4.340 -0.004 0.000 0.198 243 Q C 2.203 178.115 176.000 -0.148 0.000 0.971 243 Q CA 1.602 57.364 55.803 -0.068 0.000 0.833 243 Q CB -0.180 28.531 28.738 -0.044 0.000 0.896 243 Q HN 0.614 nan 8.270 nan 0.000 0.434 244 I N 0.625 121.079 120.570 -0.194 0.000 2.163 244 I HA -0.329 3.838 4.170 -0.004 0.000 0.243 244 I C 2.438 178.425 176.117 -0.216 0.000 1.085 244 I CA 1.314 62.451 61.300 -0.271 0.000 1.347 244 I CB -0.201 37.526 38.000 -0.455 0.000 1.044 244 I HN 0.166 nan 8.210 nan 0.000 0.408 245 R N 0.260 120.660 120.500 -0.166 0.000 2.083 245 R HA -0.237 4.101 4.340 -0.004 0.000 0.237 245 R C 1.998 178.254 176.300 -0.073 0.000 1.137 245 R CA 2.152 58.191 56.100 -0.102 0.000 0.951 245 R CB -0.591 29.666 30.300 -0.071 0.000 0.851 245 R HN 0.366 nan 8.270 nan 0.000 0.434 246 D N 0.393 120.758 120.400 -0.059 0.000 2.117 246 D HA -0.142 4.495 4.640 -0.004 0.000 0.197 246 D C 1.664 177.982 176.300 0.030 0.000 0.987 246 D CA 0.949 54.950 54.000 0.001 0.000 0.829 246 D CB 0.075 40.906 40.800 0.051 0.000 0.961 246 D HN 0.007 nan 8.370 nan 0.000 0.460 247 I N 0.309 120.793 120.570 -0.143 0.000 2.179 247 I HA -0.207 3.960 4.170 -0.004 0.000 0.242 247 I C 2.194 178.229 176.117 -0.135 0.000 1.088 247 I CA 1.002 62.111 61.300 -0.319 0.000 1.357 247 I CB -0.346 37.315 38.000 -0.566 0.000 1.051 247 I HN 0.173 nan 8.210 nan 0.000 0.409 248 L N -0.409 120.741 121.223 -0.122 0.000 2.275 248 L HA -0.131 4.207 4.340 -0.004 0.000 0.215 248 L C 2.469 179.304 176.870 -0.059 0.000 1.119 248 L CA 1.015 55.808 54.840 -0.077 0.000 0.790 248 L CB -0.699 41.335 42.059 -0.041 0.000 0.919 248 L HN 0.244 nan 8.230 nan 0.000 0.443 249 A N -0.225 122.572 122.820 -0.039 0.000 1.935 249 A HA 0.023 4.340 4.320 -0.004 0.000 0.214 249 A C 1.585 179.151 177.584 -0.030 0.000 1.178 249 A CA 0.593 52.616 52.037 -0.023 0.000 0.640 249 A CB 0.069 19.060 19.000 -0.015 0.000 0.825 249 A HN 0.280 nan 8.150 nan 0.000 0.447 250 R N -0.305 120.199 120.500 0.007 0.000 2.835 250 R HA 0.173 4.511 4.340 -0.004 0.000 0.290 250 R C -2.125 174.250 176.300 0.124 0.000 1.410 250 R CA -1.418 54.706 56.100 0.040 0.000 1.590 250 R CB 0.976 31.292 30.300 0.028 0.000 1.288 250 R HN 0.358 nan 8.270 nan 0.000 0.637 251 P HA -0.210 nan 4.420 nan 0.000 0.215 251 P C 1.226 178.510 177.300 -0.026 0.000 1.157 251 P CA 1.425 64.399 63.100 -0.210 0.000 0.868 251 P CB 0.368 31.432 31.700 -1.060 0.000 0.788 252 A N -0.431 122.351 122.820 -0.063 0.000 1.978 252 A HA -0.200 4.117 4.320 -0.004 0.000 0.220 252 A C 2.182 179.804 177.584 0.063 0.000 1.170 252 A CA 1.500 53.554 52.037 0.029 0.000 0.636 252 A CB -1.938 17.085 19.000 0.038 0.000 0.810 252 A HN 0.198 nan 8.150 nan 0.000 0.448 253 F N -0.764 119.152 119.950 -0.058 0.000 2.102 253 F HA -0.206 4.318 4.527 -0.004 0.000 0.298 253 F C 2.056 177.739 175.800 -0.195 0.000 1.105 253 F CA 1.909 59.818 58.000 -0.151 0.000 1.239 253 F CB -0.292 38.555 39.000 -0.256 0.000 0.991 253 F HN 0.301 nan 8.300 nan 0.000 0.474 254 Y N 0.178 120.525 120.300 0.077 0.000 2.263 254 Y HA -0.112 4.435 4.550 -0.004 0.000 0.292 254 Y C 2.244 178.133 175.900 -0.018 0.000 1.130 254 Y CA 1.303 59.412 58.100 0.014 0.000 1.179 254 Y CB -0.608 37.913 38.460 0.100 0.000 0.998 254 Y HN 0.047 nan 8.280 nan 0.000 0.532 255 L N -1.028 120.272 121.223 0.130 0.000 2.017 255 L HA -0.228 4.109 4.340 -0.004 0.000 0.208 255 L C 2.310 179.207 176.870 0.044 0.000 1.073 255 L CA 1.740 56.640 54.840 0.100 0.000 0.745 255 L CB -0.948 41.167 42.059 0.093 0.000 0.894 255 L HN 0.166 nan 8.230 nan 0.000 0.432 256 T N -0.083 114.449 114.554 -0.036 0.000 2.746 256 T HA -0.166 4.181 4.350 -0.004 0.000 0.267 256 T C 2.023 176.651 174.700 -0.120 0.000 1.039 256 T CA 1.292 63.345 62.100 -0.077 0.000 1.142 256 T CB -0.278 68.514 68.868 -0.127 0.000 0.866 256 T HN 0.439 nan 8.240 nan 0.000 0.444 257 A N 1.030 123.699 122.820 -0.251 0.000 1.940 257 A HA -0.119 4.199 4.320 -0.004 0.000 0.219 257 A C 2.555 180.128 177.584 -0.019 0.000 1.176 257 A CA 2.170 54.065 52.037 -0.236 0.000 0.631 257 A CB -0.954 17.814 19.000 -0.387 0.000 0.814 257 A HN 0.471 nan 8.150 nan 0.000 0.446 258 S N -0.913 114.846 115.700 0.098 0.000 2.371 258 S HA -0.186 4.281 4.470 -0.004 0.000 0.224 258 S C 2.132 176.929 174.600 0.328 0.000 1.029 258 S CA 1.442 59.812 58.200 0.284 0.000 0.978 258 S CB -0.384 63.015 63.200 0.331 0.000 0.833 258 S HN 0.680 nan 8.310 nan 0.000 0.466 259 Q N 0.354 120.266 119.800 0.188 0.000 2.084 259 Q HA -0.167 4.171 4.340 -0.004 0.000 0.202 259 Q C 2.500 178.589 176.000 0.149 0.000 0.978 259 Q CA 1.798 57.706 55.803 0.174 0.000 0.844 259 Q CB -0.244 28.551 28.738 0.096 0.000 0.898 259 Q HN 0.686 nan 8.270 nan 0.000 0.426 260 Q N 0.193 120.026 119.800 0.054 0.000 2.119 260 Q HA -0.131 4.206 4.340 -0.004 0.000 0.201 260 Q C 2.094 178.048 176.000 -0.076 0.000 0.972 260 Q CA 0.843 56.641 55.803 -0.009 0.000 0.847 260 Q CB -0.157 28.547 28.738 -0.056 0.000 0.903 260 Q HN 0.233 nan 8.270 nan 0.000 0.433 261 R N -0.020 120.416 120.500 -0.107 0.000 2.091 261 R HA -0.184 4.153 4.340 -0.004 0.000 0.238 261 R C 1.547 177.404 176.300 -0.738 0.000 1.136 261 R CA 1.640 57.507 56.100 -0.388 0.000 0.959 261 R CB -0.083 30.067 30.300 -0.250 0.000 0.856 261 R HN 0.310 nan 8.270 nan 0.000 0.437 262 W N 0.797 121.971 121.300 -0.209 0.000 2.443 262 W HA -0.021 4.636 4.660 -0.004 0.000 0.296 262 W C 2.272 178.806 176.519 0.024 0.000 1.202 262 W CA 0.316 57.661 57.345 -0.001 0.000 1.312 262 W CB -0.006 29.563 29.460 0.181 0.000 1.120 262 W HN 0.063 nan 8.180 nan 0.000 0.536 263 E N 0.381 120.693 120.200 0.187 0.000 2.160 263 E HA -0.235 4.112 4.350 -0.004 0.000 0.195 263 E C 1.771 178.412 176.600 0.068 0.000 0.991 263 E CA 1.360 57.843 56.400 0.139 0.000 0.810 263 E CB -0.421 29.335 29.700 0.094 0.000 0.742 263 E HN 0.508 nan 8.360 nan 0.000 0.466 264 E N -0.405 119.764 120.200 -0.051 0.000 2.072 264 E HA -0.162 4.185 4.350 -0.004 0.000 0.191 264 E C 1.855 178.455 176.600 -0.001 0.000 0.985 264 E CA 0.578 56.929 56.400 -0.081 0.000 0.801 264 E CB -0.008 29.573 29.700 -0.199 0.000 0.750 264 E HN 0.227 nan 8.360 nan 0.000 0.452 265 Y N 0.784 121.070 120.300 -0.025 0.000 2.128 265 Y HA -0.220 4.327 4.550 -0.004 0.000 0.284 265 Y C 2.243 178.155 175.900 0.020 0.000 1.154 265 Y CA 0.938 59.025 58.100 -0.022 0.000 1.149 265 Y CB -0.681 37.675 38.460 -0.173 0.000 0.976 265 Y HN 0.077 nan 8.280 nan 0.000 0.505 266 L N -0.526 120.832 121.223 0.226 0.000 2.027 266 L HA -0.206 4.131 4.340 -0.004 0.000 0.206 266 L C 2.472 179.426 176.870 0.141 0.000 1.074 266 L CA 1.605 56.538 54.840 0.155 0.000 0.745 266 L CB -0.550 41.633 42.059 0.206 0.000 0.898 266 L HN 0.072 nan 8.230 nan 0.000 0.433 267 K N 0.931 121.410 120.400 0.132 0.000 2.026 267 K HA -0.172 4.146 4.320 -0.004 0.000 0.208 267 K C 2.034 178.707 176.600 0.120 0.000 1.048 267 K CA 1.637 57.991 56.287 0.112 0.000 0.929 267 K CB -0.045 32.501 32.500 0.077 0.000 0.713 267 K HN 0.104 nan 8.250 nan 0.000 0.439 268 K N -1.210 119.264 120.400 0.123 0.000 2.103 268 K HA 0.002 4.319 4.320 -0.004 0.000 0.204 268 K C 2.110 178.840 176.600 0.215 0.000 1.052 268 K CA 1.227 57.595 56.287 0.135 0.000 0.945 268 K CB -0.156 32.407 32.500 0.105 0.000 0.722 268 K HN 0.355 nan 8.250 nan 0.000 0.443 269 G N 1.130 110.074 108.800 0.239 0.000 2.426 269 G HA2 -0.066 3.891 3.960 -0.004 0.000 0.214 269 G HA3 -0.066 3.891 3.960 -0.004 0.000 0.214 269 G C 0.785 175.916 174.900 0.385 0.000 1.156 269 G CA 0.008 45.298 45.100 0.317 0.000 0.802 269 G HN 0.077 nan 8.290 nan 0.000 0.534 270 L N 3.026 124.392 121.223 0.238 0.000 2.423 270 L HA 0.213 4.550 4.340 -0.004 0.000 0.249 270 L C 1.272 178.333 176.870 0.318 0.000 1.276 270 L CA -0.059 54.944 54.840 0.271 0.000 1.199 270 L CB 0.126 42.264 42.059 0.133 0.000 1.407 270 L HN 0.190 nan 8.230 nan 0.000 0.410 271 T N -4.008 110.751 114.554 0.342 0.000 3.105 271 T HA 0.045 4.392 4.350 -0.004 0.000 0.253 271 T C 0.765 175.512 174.700 0.078 0.000 1.047 271 T CA -0.389 61.822 62.100 0.185 0.000 0.944 271 T CB -0.157 68.803 68.868 0.154 0.000 1.016 271 T HN 0.239 nan 8.240 nan 0.000 0.544 272 N N 3.293 122.008 118.700 0.024 0.000 2.645 272 N HA 0.245 4.983 4.740 -0.004 0.000 0.233 272 N C -1.384 174.099 175.510 -0.045 0.000 1.058 272 N CA -2.451 50.481 53.050 -0.196 0.000 0.942 272 N CB 1.467 39.512 38.487 -0.736 0.000 1.210 272 N HN 0.098 nan 8.380 nan 0.000 0.512 273 P HA -0.048 nan 4.420 nan 0.000 0.225 273 P C -0.109 177.198 177.300 0.011 0.000 1.148 273 P CA 0.934 64.050 63.100 0.026 0.000 0.779 273 P CB 0.590 32.303 31.700 0.020 0.000 0.780 274 D N -0.305 120.080 120.400 -0.026 0.000 2.339 274 D HA 0.146 4.783 4.640 -0.004 0.000 0.217 274 D C 1.011 177.299 176.300 -0.021 0.000 1.050 274 D CA 0.101 54.088 54.000 -0.023 0.000 0.856 274 D CB 0.301 41.079 40.800 -0.035 0.000 0.922 274 D HN 0.155 nan 8.370 nan 0.000 0.518 275 A N 1.147 123.957 122.820 -0.017 0.000 2.386 275 A HA 0.379 4.696 4.320 -0.004 0.000 0.248 275 A C 0.953 178.564 177.584 0.045 0.000 1.082 275 A CA -0.263 51.786 52.037 0.020 0.000 0.789 275 A CB 0.290 19.366 19.000 0.127 0.000 1.025 275 A HN 0.147 nan 8.150 nan 0.000 0.490 276 T N -0.825 113.728 114.554 -0.002 0.000 2.847 276 T HA 0.440 4.788 4.350 -0.004 0.000 0.279 276 T C -2.036 172.706 174.700 0.070 0.000 0.984 276 T CA -1.351 60.753 62.100 0.007 0.000 0.988 276 T CB 0.748 69.582 68.868 -0.056 0.000 1.040 276 T HN 0.295 nan 8.240 nan 0.000 0.528 277 P HA -0.061 nan 4.420 nan 0.000 0.216 277 P C 1.217 178.606 177.300 0.149 0.000 1.150 277 P CA 0.987 64.161 63.100 0.125 0.000 0.837 277 P CB 0.049 31.804 31.700 0.092 0.000 0.786 278 E N -0.386 119.891 120.200 0.128 0.000 2.051 278 E HA -0.190 4.157 4.350 -0.004 0.000 0.192 278 E C 2.114 178.852 176.600 0.230 0.000 0.991 278 E CA 1.294 57.810 56.400 0.193 0.000 0.799 278 E CB -0.938 28.918 29.700 0.259 0.000 0.748 278 E HN 0.404 nan 8.360 nan 0.000 0.449 279 Q N -0.203 119.650 119.800 0.089 0.000 2.119 279 Q HA -0.079 4.258 4.340 -0.004 0.000 0.201 279 Q C 2.096 178.252 176.000 0.260 0.000 0.972 279 Q CA 1.651 57.507 55.803 0.089 0.000 0.847 279 Q CB -0.187 28.459 28.738 -0.153 0.000 0.903 279 Q HN 0.232 nan 8.270 nan 0.000 0.433 280 T N 0.790 115.476 114.554 0.220 0.000 2.788 280 T HA -0.169 4.179 4.350 -0.004 0.000 0.268 280 T C 1.688 176.362 174.700 -0.043 0.000 1.044 280 T CA 1.270 63.429 62.100 0.098 0.000 1.139 280 T CB -0.154 68.837 68.868 0.206 0.000 0.867 280 T HN 0.268 nan 8.240 nan 0.000 0.454 281 R N 0.679 121.236 120.500 0.096 0.000 2.115 281 R HA -0.049 4.288 4.340 -0.004 0.000 0.230 281 R C 2.217 178.534 176.300 0.029 0.000 1.111 281 R CA 0.920 57.062 56.100 0.069 0.000 0.976 281 R CB -0.410 29.998 30.300 0.180 0.000 0.870 281 R HN 0.224 nan 8.270 nan 0.000 0.445 282 V N 1.088 121.069 119.914 0.112 0.000 2.343 282 V HA -0.225 3.892 4.120 -0.004 0.000 0.247 282 V C 2.476 178.620 176.094 0.083 0.000 1.051 282 V CA 1.916 64.314 62.300 0.163 0.000 1.036 282 V CB -0.627 31.397 31.823 0.335 0.000 0.654 282 V HN 0.552 nan 8.190 nan 0.000 0.451 283 A N -0.341 122.444 122.820 -0.059 0.000 1.902 283 A HA -0.153 4.164 4.320 -0.004 0.000 0.217 283 A C 2.371 179.826 177.584 -0.215 0.000 1.181 283 A CA 2.020 53.931 52.037 -0.210 0.000 0.623 283 A CB -0.612 17.841 19.000 -0.912 0.000 0.818 283 A HN 0.348 nan 8.150 nan 0.000 0.443 284 V N 0.170 119.910 119.914 -0.291 0.000 2.427 284 V HA -0.250 3.868 4.120 -0.004 0.000 0.248 284 V C 2.505 178.517 176.094 -0.137 0.000 1.051 284 V CA 2.297 64.410 62.300 -0.311 0.000 1.048 284 V CB -0.639 30.852 31.823 -0.554 0.000 0.666 284 V HN 0.685 nan 8.190 nan 0.000 0.456 285 K N 0.381 120.748 120.400 -0.055 0.000 2.063 285 K HA -0.202 4.116 4.320 -0.004 0.000 0.208 285 K C 2.185 178.803 176.600 0.030 0.000 1.048 285 K CA 1.642 57.944 56.287 0.025 0.000 0.928 285 K CB -0.328 32.214 32.500 0.071 0.000 0.713 285 K HN 0.432 nan 8.250 nan 0.000 0.442 286 A N 1.189 124.020 122.820 0.018 0.000 1.902 286 A HA -0.125 4.193 4.320 -0.004 0.000 0.217 286 A C 2.072 179.595 177.584 -0.102 0.000 1.181 286 A CA 1.423 53.474 52.037 0.023 0.000 0.623 286 A CB -0.517 18.543 19.000 0.101 0.000 0.818 286 A HN 0.343 nan 8.150 nan 0.000 0.443 287 I N -0.574 119.823 120.570 -0.290 0.000 2.179 287 I HA -0.249 3.918 4.170 -0.004 0.000 0.242 287 I C 2.530 178.580 176.117 -0.112 0.000 1.088 287 I CA 1.557 62.521 61.300 -0.559 0.000 1.357 287 I CB -0.454 37.104 38.000 -0.736 0.000 1.051 287 I HN 0.424 nan 8.210 nan 0.000 0.409 288 E N 0.269 120.509 120.200 0.067 0.000 2.110 288 E HA -0.184 4.163 4.350 -0.004 0.000 0.193 288 E C 2.148 178.876 176.600 0.213 0.000 0.988 288 E CA 1.850 58.398 56.400 0.246 0.000 0.804 288 E CB -0.087 29.712 29.700 0.166 0.000 0.745 288 E HN 0.492 nan 8.360 nan 0.000 0.458 289 T N 1.587 116.218 114.554 0.128 0.000 2.674 289 T HA -0.137 4.210 4.350 -0.004 0.000 0.265 289 T C 2.025 176.787 174.700 0.103 0.000 1.039 289 T CA 0.897 63.069 62.100 0.120 0.000 1.150 289 T CB -0.274 68.653 68.868 0.099 0.000 0.864 289 T HN 0.069 nan 8.240 nan 0.000 0.427 290 L N 1.156 122.431 121.223 0.087 0.000 2.017 290 L HA -0.118 4.219 4.340 -0.004 0.000 0.208 290 L C 2.587 179.528 176.870 0.119 0.000 1.073 290 L CA 1.044 55.934 54.840 0.083 0.000 0.745 290 L CB -0.605 41.531 42.059 0.128 0.000 0.894 290 L HN 0.192 nan 8.230 nan 0.000 0.432 291 N N 0.220 119.018 118.700 0.163 0.000 2.223 291 N HA -0.120 4.618 4.740 -0.004 0.000 0.185 291 N C 1.804 177.489 175.510 0.292 0.000 1.016 291 N CA 1.415 54.623 53.050 0.263 0.000 0.863 291 N CB -0.455 38.148 38.487 0.193 0.000 0.983 291 N HN 0.377 nan 8.380 nan 0.000 0.429 292 G N 0.455 109.382 108.800 0.212 0.000 2.448 292 G HA2 -0.153 3.805 3.960 -0.004 0.000 0.218 292 G HA3 -0.153 3.805 3.960 -0.004 0.000 0.218 292 G C 1.339 176.195 174.900 -0.074 0.000 1.135 292 G CA 0.254 45.420 45.100 0.110 0.000 0.784 292 G HN 0.266 nan 8.290 nan 0.000 0.543 293 N N -0.504 118.183 118.700 -0.021 0.000 2.398 293 N HA 0.045 4.782 4.740 -0.004 0.000 0.188 293 N C -0.060 175.432 175.510 -0.031 0.000 1.122 293 N CA -0.316 52.679 53.050 -0.092 0.000 0.866 293 N CB 0.083 38.540 38.487 -0.049 0.000 0.970 293 N HN 0.517 nan 8.380 nan 0.000 0.462 294 W N 3.053 124.246 121.300 -0.179 0.000 2.311 294 W HA 0.340 4.997 4.660 -0.005 0.000 0.310 294 W C -0.492 175.898 176.519 -0.214 0.000 1.274 294 W CA -0.817 56.431 57.345 -0.161 0.000 1.215 294 W CB 0.465 29.849 29.460 -0.126 0.000 1.227 294 W HN -0.236 nan 8.180 nan 0.000 0.523 295 R N 4.550 125.089 120.500 0.065 0.000 2.670 295 R HA 0.351 4.688 4.340 -0.004 0.000 0.289 295 R C 0.078 176.463 176.300 0.142 0.000 0.965 295 R CA -0.687 55.278 56.100 -0.225 0.000 0.899 295 R CB 1.709 31.788 30.300 -0.368 0.000 1.173 295 R HN 0.706 nan 8.270 nan 0.000 0.456 296 S N 1.918 117.715 115.700 0.162 0.000 2.624 296 S HA 0.407 4.874 4.470 -0.004 0.000 0.263 296 S C -2.345 172.537 174.600 0.469 0.000 1.287 296 S CA -1.237 57.183 58.200 0.367 0.000 0.990 296 S CB 0.500 63.894 63.200 0.323 0.000 0.950 296 S HN 0.255 nan 8.310 nan 0.000 0.561 297 P HA 0.312 nan 4.420 nan 0.000 0.264 297 P C -0.145 177.215 177.300 0.099 0.000 1.179 297 P CA 0.544 63.747 63.100 0.172 0.000 0.763 297 P CB 0.123 31.843 31.700 0.033 0.000 0.806 298 G N 1.244 110.001 108.800 -0.071 0.000 2.760 298 G HA2 0.528 4.486 3.960 -0.004 0.000 0.296 298 G HA3 0.528 4.486 3.960 -0.004 0.000 0.296 298 G C 0.039 174.185 174.900 -1.257 0.000 1.427 298 G CA 0.123 44.810 45.100 -0.688 0.000 1.109 298 G HN 0.784 nan 8.290 nan 0.000 0.553 299 G N 1.218 108.701 108.800 -2.196 0.000 2.622 299 G HA2 0.060 4.017 3.960 -0.004 0.000 0.307 299 G HA3 0.060 4.017 3.960 -0.004 0.000 0.307 299 G C 1.702 176.221 174.900 -0.636 0.000 1.226 299 G CA 1.772 45.818 45.100 -1.756 0.000 0.997 299 G HN 2.108 nan 8.290 nan 0.000 0.551 300 A N -0.906 121.712 122.820 -0.337 0.000 2.121 300 A HA 0.435 4.753 4.320 -0.004 0.000 0.218 300 A C 1.359 179.133 177.584 0.317 0.000 1.154 300 A CA 1.968 54.030 52.037 0.043 0.000 0.679 300 A CB -0.153 18.817 19.000 -0.050 0.000 0.795 300 A HN 1.443 nan 8.150 nan 0.000 0.458 301 V N 1.949 121.958 119.914 0.158 0.000 2.339 301 V HA 0.122 4.239 4.120 -0.004 0.000 0.261 301 V C 0.302 176.480 176.094 0.140 0.000 1.058 301 V CA -0.431 62.044 62.300 0.292 0.000 0.897 301 V CB 0.923 32.884 31.823 0.229 0.000 1.052 301 V HN 0.279 nan 8.190 nan 0.000 0.480 302 K N 3.909 124.369 120.400 0.100 0.000 2.504 302 K HA 0.288 4.605 4.320 -0.004 0.000 0.199 302 K C -0.457 175.822 176.600 -0.534 0.000 1.028 302 K CA 0.318 56.456 56.287 -0.248 0.000 1.164 302 K CB -0.228 32.030 32.500 -0.404 0.000 0.877 302 K HN 0.483 nan 8.250 nan 0.000 0.508 303 F N 0.038 120.058 119.950 0.117 0.000 2.620 303 F HA 0.297 4.822 4.527 -0.004 0.000 0.320 303 F C 0.714 176.607 175.800 0.157 0.000 1.069 303 F CA -1.178 56.894 58.000 0.120 0.000 0.953 303 F CB 0.872 39.938 39.000 0.111 0.000 1.322 303 F HN -0.195 nan 8.300 nan 0.000 0.479 304 N N 0.756 119.680 118.700 0.373 0.000 2.479 304 N HA 0.247 4.985 4.740 -0.004 0.000 0.257 304 N C -0.343 175.330 175.510 0.272 0.000 1.232 304 N CA 0.570 53.834 53.050 0.358 0.000 0.920 304 N CB 1.417 40.109 38.487 0.342 0.000 1.105 304 N HN 0.642 nan 8.380 nan 0.000 0.444 305 T N -0.167 114.548 114.554 0.268 0.000 2.754 305 T HA 0.533 4.880 4.350 -0.004 0.000 0.296 305 T C -1.606 173.171 174.700 0.128 0.000 1.205 305 T CA -0.503 61.683 62.100 0.143 0.000 1.009 305 T CB 1.086 70.029 68.868 0.124 0.000 1.368 305 T HN 0.043 nan 8.240 nan 0.000 0.509 306 V N 2.543 122.478 119.914 0.035 0.000 2.623 306 V HA 0.596 4.714 4.120 -0.004 0.000 0.304 306 V C 0.413 176.504 176.094 -0.005 0.000 1.054 306 V CA -0.746 61.562 62.300 0.013 0.000 0.882 306 V CB 1.524 33.320 31.823 -0.046 0.000 1.002 306 V HN 1.140 nan 8.190 nan 0.000 0.424 307 T N 2.217 116.771 114.554 -0.001 0.000 2.912 307 T HA 0.487 4.835 4.350 -0.004 0.000 0.280 307 T C -1.942 172.745 174.700 -0.022 0.000 0.989 307 T CA -2.039 60.091 62.100 0.051 0.000 0.995 307 T CB 2.108 71.030 68.868 0.091 0.000 1.077 307 T HN 0.362 nan 8.240 nan 0.000 0.531 308 P HA 0.060 nan 4.420 nan 0.000 0.216 308 P C 0.201 177.431 177.300 -0.118 0.000 1.150 308 P CA 0.876 63.776 63.100 -0.332 0.000 0.837 308 P CB 0.199 31.387 31.700 -0.853 0.000 0.786 309 S N -2.384 113.377 115.700 0.101 0.000 2.590 309 S HA 0.138 4.606 4.470 -0.004 0.000 0.286 309 S C 0.275 174.913 174.600 0.065 0.000 1.147 309 S CA -0.643 57.639 58.200 0.136 0.000 0.963 309 S CB 0.678 64.052 63.200 0.289 0.000 1.124 309 S HN -0.182 nan 8.310 nan 0.000 0.458 310 V N 4.989 124.842 119.914 -0.101 0.000 2.720 310 V HA -0.035 4.083 4.120 -0.004 0.000 0.256 310 V C 1.988 177.966 176.094 -0.193 0.000 1.082 310 V CA 2.838 64.957 62.300 -0.302 0.000 1.101 310 V CB -0.509 30.878 31.823 -0.726 0.000 0.693 310 V HN 1.039 nan 8.190 nan 0.000 0.479 311 T N -2.527 111.999 114.554 -0.046 0.000 3.060 311 T HA 0.297 4.644 4.350 -0.004 0.000 0.249 311 T C 1.050 175.779 174.700 0.049 0.000 1.079 311 T CA 0.369 62.483 62.100 0.023 0.000 1.013 311 T CB -0.071 68.851 68.868 0.090 0.000 0.975 311 T HN 0.578 nan 8.240 nan 0.000 0.518 312 G N 1.484 110.333 108.800 0.082 0.000 2.491 312 G HA2 0.292 4.250 3.960 -0.004 0.000 0.238 312 G HA3 0.292 4.250 3.960 -0.004 0.000 0.238 312 G C 0.797 175.686 174.900 -0.019 0.000 1.277 312 G CA -0.606 44.556 45.100 0.104 0.000 0.851 312 G HN 0.238 nan 8.290 nan 0.000 0.573 313 R N 1.032 121.444 120.500 -0.146 0.000 2.096 313 R HA -0.057 4.280 4.340 -0.004 0.000 0.235 313 R C 1.180 177.026 176.300 -0.756 0.000 1.127 313 R CA 1.699 57.389 56.100 -0.683 0.000 0.968 313 R CB -0.208 29.421 30.300 -1.117 0.000 0.861 313 R HN 0.748 nan 8.270 nan 0.000 0.440 314 W N -2.127 119.071 121.300 -0.171 0.000 2.702 314 W HA 0.301 4.958 4.660 -0.005 0.000 0.369 314 W C -0.036 176.618 176.519 0.225 0.000 0.987 314 W CA -0.749 56.608 57.345 0.019 0.000 1.702 314 W CB 0.571 29.998 29.460 -0.056 0.000 1.138 314 W HN -0.096 nan 8.180 nan 0.000 0.552 315 F N -0.705 119.463 119.950 0.363 0.000 2.661 315 F HA 0.319 4.843 4.527 -0.004 0.000 0.306 315 F C 1.443 177.351 175.800 0.179 0.000 1.094 315 F CA -0.797 57.399 58.000 0.327 0.000 1.254 315 F CB -0.630 38.487 39.000 0.194 0.000 1.040 315 F HN -0.330 nan 8.300 nan 0.000 0.562 316 S N -0.717 115.119 115.700 0.227 0.000 2.607 316 S HA 0.632 5.100 4.470 -0.004 0.000 0.272 316 S C 1.132 175.715 174.600 -0.029 0.000 1.166 316 S CA 0.373 58.595 58.200 0.037 0.000 1.021 316 S CB 0.325 63.517 63.200 -0.014 0.000 1.113 316 S HN 0.620 nan 8.310 nan 0.000 0.531 317 G N 1.856 110.587 108.800 -0.115 0.000 2.574 317 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.286 317 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.286 317 G C -0.049 174.767 174.900 -0.141 0.000 1.212 317 G CA 0.548 45.616 45.100 -0.054 0.000 0.979 317 G HN 1.255 nan 8.290 nan 0.000 0.557 318 N N 0.692 119.462 118.700 0.117 0.000 2.416 318 N HA 0.151 4.888 4.740 -0.004 0.000 0.267 318 N C 0.230 175.788 175.510 0.080 0.000 1.294 318 N CA 0.122 53.236 53.050 0.107 0.000 0.891 318 N CB 0.287 38.989 38.487 0.358 0.000 1.238 318 N HN 0.816 nan 8.380 nan 0.000 0.508 319 Q N 0.669 120.497 119.800 0.047 0.000 2.255 319 Q HA 0.165 4.502 4.340 -0.004 0.000 0.280 319 Q C -0.535 175.436 176.000 -0.049 0.000 1.068 319 Q CA 0.692 56.444 55.803 -0.085 0.000 0.911 319 Q CB 0.491 29.215 28.738 -0.022 0.000 1.157 319 Q HN 0.204 nan 8.270 nan 0.000 0.380 320 T N 2.842 117.236 114.554 -0.267 0.000 2.861 320 T HA 0.453 4.800 4.350 -0.004 0.000 0.287 320 T C -0.858 173.690 174.700 -0.253 0.000 1.003 320 T CA -0.749 61.285 62.100 -0.110 0.000 0.977 320 T CB 1.067 69.861 68.868 -0.124 0.000 0.996 320 T HN 0.420 nan 8.240 nan 0.000 0.448 321 W N 2.174 123.347 121.300 -0.212 0.000 2.689 321 W HA 0.287 4.945 4.660 -0.004 0.000 0.340 321 W C -2.138 174.158 176.519 -0.371 0.000 1.060 321 W CA -2.391 54.821 57.345 -0.221 0.000 1.218 321 W CB 1.895 31.302 29.460 -0.088 0.000 1.410 321 W HN 0.485 nan 8.180 nan 0.000 0.528 322 P HA -0.188 nan 4.420 nan 0.000 0.215 322 P C 1.813 178.512 177.300 -1.001 0.000 1.157 322 P CA 1.801 64.469 63.100 -0.719 0.000 0.859 322 P CB 0.201 31.757 31.700 -0.240 0.000 0.786 323 W N 1.476 122.519 121.300 -0.429 0.000 2.317 323 W HA -0.248 4.410 4.660 -0.004 0.000 0.318 323 W C 1.105 177.408 176.519 -0.360 0.000 1.227 323 W CA 1.976 59.162 57.345 -0.265 0.000 1.269 323 W CB -0.609 28.792 29.460 -0.098 0.000 1.155 323 W HN -0.036 nan 8.180 nan 0.000 0.484 324 D N -0.394 119.846 120.400 -0.267 0.000 2.117 324 D HA -0.186 4.452 4.640 -0.004 0.000 0.197 324 D C 2.131 178.218 176.300 -0.355 0.000 0.987 324 D CA 2.415 56.215 54.000 -0.334 0.000 0.829 324 D CB -0.791 39.925 40.800 -0.139 0.000 0.961 324 D HN 0.016 nan 8.370 nan 0.000 0.460 325 T N -0.357 113.938 114.554 -0.431 0.000 2.788 325 T HA -0.157 4.190 4.350 -0.004 0.000 0.268 325 T C 1.569 176.157 174.700 -0.187 0.000 1.044 325 T CA 1.004 62.867 62.100 -0.395 0.000 1.139 325 T CB -0.456 68.065 68.868 -0.579 0.000 0.867 325 T HN 0.386 nan 8.240 nan 0.000 0.454 326 W N 2.299 123.589 121.300 -0.016 0.000 2.355 326 W HA -0.135 4.523 4.660 -0.004 0.000 0.309 326 W C 2.522 179.096 176.519 0.092 0.000 1.206 326 W CA 0.722 58.122 57.345 0.092 0.000 1.284 326 W CB -0.180 29.371 29.460 0.151 0.000 1.145 326 W HN 0.291 nan 8.180 nan 0.000 0.502 327 K N 0.710 121.185 120.400 0.124 0.000 2.103 327 K HA -0.081 4.236 4.320 -0.004 0.000 0.204 327 K C 1.792 178.318 176.600 -0.124 0.000 1.052 327 K CA 1.246 57.521 56.287 -0.020 0.000 0.945 327 K CB -0.793 31.536 32.500 -0.286 0.000 0.722 327 K HN 0.246 nan 8.250 nan 0.000 0.443 328 Q N 1.015 120.727 119.800 -0.146 0.000 2.030 328 Q HA -0.124 4.213 4.340 -0.004 0.000 0.204 328 Q C 2.401 178.313 176.000 -0.148 0.000 0.986 328 Q CA 1.963 57.677 55.803 -0.149 0.000 0.843 328 Q CB -0.345 28.299 28.738 -0.157 0.000 0.904 328 Q HN 0.535 nan 8.270 nan 0.000 0.420 329 A N 0.252 123.008 122.820 -0.107 0.000 1.930 329 A HA -0.181 4.136 4.320 -0.004 0.000 0.217 329 A C 1.866 179.342 177.584 -0.180 0.000 1.175 329 A CA 0.972 52.918 52.037 -0.151 0.000 0.627 329 A CB -0.783 18.196 19.000 -0.036 0.000 0.815 329 A HN 0.454 nan 8.150 nan 0.000 0.443 330 F N 0.941 120.732 119.950 -0.266 0.000 2.095 330 F HA -0.169 4.356 4.527 -0.004 0.000 0.298 330 F C 2.508 178.183 175.800 -0.207 0.000 1.104 330 F CA 1.614 59.391 58.000 -0.371 0.000 1.232 330 F CB -0.261 38.356 39.000 -0.638 0.000 0.987 330 F HN 0.259 nan 8.300 nan 0.000 0.475 331 A N 0.194 123.033 122.820 0.032 0.000 1.872 331 A HA -0.142 4.176 4.320 -0.004 0.000 0.214 331 A C 2.239 179.686 177.584 -0.228 0.000 1.187 331 A CA 1.598 53.669 52.037 0.056 0.000 0.614 331 A CB -0.786 18.254 19.000 0.067 0.000 0.826 331 A HN 0.470 nan 8.150 nan 0.000 0.442 332 M N -0.211 119.104 119.600 -0.476 0.000 2.358 332 M HA -0.137 4.340 4.480 -0.004 0.000 0.264 332 M C 2.324 178.071 176.300 -0.923 0.000 1.064 332 M CA 1.045 55.701 55.300 -1.072 0.000 1.093 332 M CB -0.399 31.694 32.600 -0.845 0.000 1.401 332 M HN 0.495 nan 8.290 nan 0.000 0.440 333 A N -0.458 121.994 122.820 -0.613 0.000 2.076 333 A HA -0.202 4.116 4.320 -0.004 0.000 0.220 333 A C 1.400 178.598 177.584 -0.644 0.000 1.160 333 A CA 1.688 53.348 52.037 -0.628 0.000 0.653 333 A CB -1.016 17.593 19.000 -0.651 0.000 0.801 333 A HN 0.551 nan 8.150 nan 0.000 0.455 334 H N -2.526 116.293 119.070 -0.418 0.000 2.539 334 H HA 0.248 4.801 4.556 -0.004 0.000 0.267 334 H C 0.927 176.214 175.328 -0.068 0.000 0.982 334 H CA 1.284 57.230 56.048 -0.171 0.000 1.146 334 H CB 0.093 29.914 29.762 0.098 0.000 1.382 334 H HN 0.799 nan 8.280 nan 0.000 0.577 335 F N -4.203 115.621 119.950 -0.209 0.000 2.885 335 F HA 0.318 4.843 4.527 -0.004 0.000 0.389 335 F C -0.034 175.682 175.800 -0.141 0.000 0.904 335 F CA -0.602 57.300 58.000 -0.164 0.000 1.047 335 F CB 0.587 39.444 39.000 -0.239 0.000 1.113 335 F HN -0.165 nan 8.300 nan 0.000 0.579 336 N N 2.726 120.915 118.700 -0.852 0.000 2.687 336 N HA 0.322 5.060 4.740 -0.004 0.000 0.275 336 N C -2.066 173.061 175.510 -0.638 0.000 1.789 336 N CA -2.178 50.508 53.050 -0.605 0.000 0.806 336 N CB 0.719 38.711 38.487 -0.825 0.000 1.256 336 N HN 0.014 nan 8.380 nan 0.000 0.500 337 P HA -0.104 nan 4.420 nan 0.000 0.218 337 P C 0.427 177.439 177.300 -0.480 0.000 1.148 337 P CA 1.079 63.873 63.100 -0.510 0.000 0.822 337 P CB 0.617 32.051 31.700 -0.443 0.000 0.784 338 D N 0.095 120.257 120.400 -0.396 0.000 2.123 338 D HA -0.128 4.509 4.640 -0.004 0.000 0.196 338 D C 1.878 177.947 176.300 -0.384 0.000 0.992 338 D CA 1.083 54.880 54.000 -0.338 0.000 0.833 338 D CB -0.693 39.958 40.800 -0.248 0.000 0.954 338 D HN 0.200 nan 8.370 nan 0.000 0.455 339 I N 0.697 120.952 120.570 -0.525 0.000 2.761 339 I HA -0.020 4.148 4.170 -0.004 0.000 0.261 339 I C 2.251 178.091 176.117 -0.462 0.000 1.198 339 I CA 0.188 61.128 61.300 -0.601 0.000 1.482 339 I CB -0.501 36.856 38.000 -1.071 0.000 1.100 339 I HN -0.113 nan 8.210 nan 0.000 0.445 340 A N 0.426 122.955 122.820 -0.486 0.000 1.898 340 A HA -0.176 4.141 4.320 -0.004 0.000 0.216 340 A C 2.332 179.720 177.584 -0.326 0.000 1.181 340 A CA 1.407 53.199 52.037 -0.408 0.000 0.620 340 A CB -0.371 18.339 19.000 -0.483 0.000 0.819 340 A HN 0.315 nan 8.150 nan 0.000 0.442 341 K N -0.393 119.735 120.400 -0.453 0.000 2.025 341 K HA -0.112 4.206 4.320 -0.004 0.000 0.207 341 K C 1.986 178.518 176.600 -0.113 0.000 1.049 341 K CA 1.305 57.293 56.287 -0.498 0.000 0.933 341 K CB -0.165 31.890 32.500 -0.742 0.000 0.714 341 K HN 0.396 nan 8.250 nan 0.000 0.438 342 E N 1.014 121.141 120.200 -0.123 0.000 2.085 342 E HA -0.207 4.140 4.350 -0.004 0.000 0.194 342 E C 1.846 178.447 176.600 0.001 0.000 0.994 342 E CA 0.993 57.390 56.400 -0.005 0.000 0.801 342 E CB -0.353 29.364 29.700 0.029 0.000 0.743 342 E HN 0.238 nan 8.360 nan 0.000 0.453 343 N N 1.286 119.955 118.700 -0.052 0.000 2.104 343 N HA -0.142 4.595 4.740 -0.004 0.000 0.190 343 N C 1.855 177.366 175.510 0.002 0.000 1.024 343 N CA 1.051 54.078 53.050 -0.037 0.000 0.853 343 N CB -0.286 38.141 38.487 -0.100 0.000 1.008 343 N HN 0.165 nan 8.380 nan 0.000 0.424 344 I N 0.099 120.726 120.570 0.094 0.000 2.353 344 I HA -0.167 4.000 4.170 -0.004 0.000 0.248 344 I C 2.357 178.617 176.117 0.239 0.000 1.119 344 I CA 0.665 62.133 61.300 0.281 0.000 1.417 344 I CB -0.181 38.127 38.000 0.514 0.000 1.078 344 I HN 0.127 nan 8.210 nan 0.000 0.421 345 R N 0.855 121.392 120.500 0.061 0.000 2.096 345 R HA -0.136 4.201 4.340 -0.004 0.000 0.235 345 R C 2.486 178.541 176.300 -0.409 0.000 1.127 345 R CA 1.432 57.372 56.100 -0.268 0.000 0.968 345 R CB -0.464 29.465 30.300 -0.619 0.000 0.861 345 R HN 0.359 nan 8.270 nan 0.000 0.440 346 A N 0.776 123.474 122.820 -0.202 0.000 1.865 346 A HA -0.152 4.166 4.320 -0.004 0.000 0.217 346 A C 2.364 179.973 177.584 0.043 0.000 1.191 346 A CA 1.647 53.712 52.037 0.046 0.000 0.623 346 A CB -0.736 18.346 19.000 0.136 0.000 0.826 346 A HN 0.128 nan 8.150 nan 0.000 0.444 347 V N -1.605 118.268 119.914 -0.069 0.000 2.392 347 V HA -0.236 3.882 4.120 -0.004 0.000 0.249 347 V C 2.206 178.146 176.094 -0.257 0.000 1.059 347 V CA 2.038 64.201 62.300 -0.228 0.000 1.051 347 V CB -0.837 30.737 31.823 -0.416 0.000 0.658 347 V HN 0.560 nan 8.190 nan 0.000 0.455 348 F N 0.583 120.492 119.950 -0.069 0.000 2.743 348 F HA -0.012 4.513 4.527 -0.004 0.000 0.297 348 F C 2.558 178.302 175.800 -0.094 0.000 1.131 348 F CA 0.868 58.811 58.000 -0.094 0.000 1.426 348 F CB -0.456 38.485 39.000 -0.099 0.000 1.116 348 F HN 0.232 nan 8.300 nan 0.000 0.583 349 S N -1.502 114.238 115.700 0.068 0.000 2.442 349 S HA -0.227 4.241 4.470 -0.004 0.000 0.236 349 S C 1.137 175.631 174.600 -0.176 0.000 1.007 349 S CA 0.779 58.980 58.200 0.002 0.000 0.965 349 S CB -0.691 62.633 63.200 0.205 0.000 0.773 349 S HN 0.498 nan 8.310 nan 0.000 0.504 350 W N 1.970 123.308 121.300 0.064 0.000 2.771 350 W HA 0.473 5.130 4.660 -0.004 0.000 0.412 350 W C 0.520 177.041 176.519 0.005 0.000 0.965 350 W CA -0.964 56.436 57.345 0.092 0.000 2.045 350 W CB 0.016 29.591 29.460 0.192 0.000 1.176 350 W HN 0.293 nan 8.180 nan 0.000 0.634 351 Q N 1.398 121.249 119.800 0.085 0.000 2.361 351 Q HA 0.063 4.401 4.340 -0.004 0.000 0.276 351 Q C 0.535 176.575 176.000 0.067 0.000 1.022 351 Q CA -0.066 55.737 55.803 -0.000 0.000 0.898 351 Q CB 0.689 29.473 28.738 0.077 0.000 1.246 351 Q HN -0.093 nan 8.270 nan 0.000 0.410 352 I N 4.046 124.661 120.570 0.075 0.000 2.683 352 I HA -0.051 4.117 4.170 -0.004 0.000 0.286 352 I C 0.409 176.581 176.117 0.092 0.000 1.175 352 I CA 0.665 62.039 61.300 0.124 0.000 1.429 352 I CB 0.271 38.367 38.000 0.160 0.000 1.371 352 I HN 0.704 nan 8.210 nan 0.000 0.569 353 Q N 6.663 126.510 119.800 0.079 0.000 2.351 353 Q HA 0.497 4.834 4.340 -0.004 0.000 0.273 353 Q C -2.317 173.720 176.000 0.060 0.000 1.077 353 Q CA -2.053 53.785 55.803 0.058 0.000 0.843 353 Q CB 1.060 29.815 28.738 0.028 0.000 1.367 353 Q HN 0.300 nan 8.270 nan 0.000 0.449 354 P HA 0.005 nan 4.420 nan 0.000 0.261 354 P C 0.538 177.862 177.300 0.041 0.000 1.173 354 P CA 1.356 64.486 63.100 0.050 0.000 0.760 354 P CB 0.200 31.925 31.700 0.041 0.000 0.783 355 G N 2.067 110.892 108.800 0.042 0.000 2.176 355 G HA2 -0.269 3.688 3.960 -0.004 0.000 0.253 355 G HA3 -0.269 3.688 3.960 -0.004 0.000 0.253 355 G C 0.204 175.128 174.900 0.039 0.000 0.979 355 G CA 0.078 45.199 45.100 0.035 0.000 0.641 355 G HN 0.681 nan 8.290 nan 0.000 0.530 356 D N 0.613 121.045 120.400 0.053 0.000 2.667 356 D HA 0.284 4.921 4.640 -0.004 0.000 0.226 356 D C 1.926 178.258 176.300 0.053 0.000 1.137 356 D CA 1.255 55.294 54.000 0.064 0.000 0.855 356 D CB 0.564 41.418 40.800 0.090 0.000 1.194 356 D HN 0.502 nan 8.370 nan 0.000 0.492 357 S N 1.516 117.247 115.700 0.051 0.000 2.453 357 S HA -0.100 4.368 4.470 -0.004 0.000 0.231 357 S C 1.516 176.137 174.600 0.035 0.000 1.005 357 S CA 0.815 59.037 58.200 0.037 0.000 0.949 357 S CB 0.122 63.339 63.200 0.029 0.000 0.774 357 S HN 0.365 nan 8.310 nan 0.000 0.510 358 V N 1.646 121.589 119.914 0.048 0.000 2.743 358 V HA 0.232 4.349 4.120 -0.004 0.000 0.237 358 V C 1.216 177.335 176.094 0.041 0.000 1.113 358 V CA 0.750 63.075 62.300 0.042 0.000 1.141 358 V CB -0.294 31.558 31.823 0.049 0.000 0.873 358 V HN 0.606 nan 8.190 nan 0.000 0.486 359 R N 1.270 121.803 120.500 0.055 0.000 2.651 359 R HA 0.321 4.659 4.340 -0.004 0.000 0.282 359 R C -2.381 173.953 176.300 0.056 0.000 1.565 359 R CA -1.426 54.698 56.100 0.040 0.000 1.661 359 R CB 0.493 30.800 30.300 0.012 0.000 1.189 359 R HN 0.239 nan 8.270 nan 0.000 0.621 360 P HA -0.209 nan 4.420 nan 0.000 0.228 360 P C 0.648 177.988 177.300 0.066 0.000 1.151 360 P CA 1.036 64.171 63.100 0.058 0.000 0.770 360 P CB 0.397 32.123 31.700 0.043 0.000 0.786 361 Q N -0.689 119.145 119.800 0.058 0.000 2.403 361 Q HA 0.018 4.356 4.340 -0.004 0.000 0.203 361 Q C 0.020 176.094 176.000 0.124 0.000 0.932 361 Q CA 0.771 56.613 55.803 0.064 0.000 0.945 361 Q CB -0.451 28.304 28.738 0.027 0.000 1.045 361 Q HN 0.168 nan 8.270 nan 0.000 0.511 362 D N 1.113 121.598 120.400 0.142 0.000 2.670 362 D HA 0.172 4.809 4.640 -0.004 0.000 0.255 362 D C -0.446 175.997 176.300 0.238 0.000 1.286 362 D CA -0.282 53.859 54.000 0.235 0.000 0.830 362 D CB 1.016 41.817 40.800 0.001 0.000 1.065 362 D HN -0.028 nan 8.370 nan 0.000 0.486 363 V N 0.510 120.565 119.914 0.236 0.000 2.644 363 V HA 0.218 4.336 4.120 -0.004 0.000 0.305 363 V C 1.750 177.997 176.094 0.255 0.000 1.053 363 V CA 1.537 63.957 62.300 0.199 0.000 1.186 363 V CB 0.700 32.622 31.823 0.165 0.000 0.895 363 V HN 0.609 nan 8.190 nan 0.000 0.490 364 G N 4.588 113.488 108.800 0.165 0.000 2.258 364 G HA2 -0.279 3.678 3.960 -0.004 0.000 0.233 364 G HA3 -0.279 3.678 3.960 -0.004 0.000 0.233 364 G C 0.117 175.014 174.900 -0.004 0.000 1.006 364 G CA 0.141 45.355 45.100 0.191 0.000 0.620 364 G HN 0.866 nan 8.290 nan 0.000 0.511 365 F N 2.099 121.719 119.950 -0.550 0.000 2.602 365 F HA 0.469 4.994 4.527 -0.005 0.000 0.367 365 F C 0.449 175.881 175.800 -0.613 0.000 1.126 365 F CA -0.010 57.345 58.000 -1.075 0.000 1.321 365 F CB 0.939 39.305 39.000 -1.056 0.000 1.094 365 F HN 0.106 nan 8.300 nan 0.000 0.594 366 V N 8.062 127.069 119.914 -1.511 0.000 2.378 366 V HA 0.292 4.409 4.120 -0.004 0.000 0.288 366 V C -2.099 173.131 176.094 -1.440 0.000 1.016 366 V CA -2.009 59.547 62.300 -1.239 0.000 0.840 366 V CB 1.251 32.339 31.823 -1.226 0.000 0.994 366 V HN 0.686 nan 8.190 nan 0.000 0.431 367 P HA -0.043 nan 4.420 nan 0.000 0.266 367 P C 0.486 177.462 177.300 -0.540 0.000 1.186 367 P CA 0.402 63.104 63.100 -0.662 0.000 0.767 367 P CB 0.738 32.182 31.700 -0.426 0.000 0.820 368 D N 2.514 122.730 120.400 -0.307 0.000 2.149 368 D HA -0.026 4.612 4.640 -0.004 0.000 0.201 368 D C 0.077 176.111 176.300 -0.443 0.000 0.972 368 D CA 1.072 54.969 54.000 -0.172 0.000 0.835 368 D CB 0.089 40.932 40.800 0.072 0.000 0.966 368 D HN 0.164 nan 8.370 nan 0.000 0.476 369 L N 1.072 121.894 121.223 -0.669 0.000 2.516 369 L HA 0.358 4.695 4.340 -0.004 0.000 0.267 369 L C -1.258 174.915 176.870 -1.161 0.000 0.957 369 L CA -0.835 53.383 54.840 -1.036 0.000 0.860 369 L CB 1.463 42.887 42.059 -1.057 0.000 1.265 369 L HN 0.023 nan 8.230 nan 0.000 0.403 370 I N 2.170 122.062 120.570 -1.131 0.000 2.648 370 I HA 1.019 5.186 4.170 -0.004 0.000 0.304 370 I C -0.522 175.170 176.117 -0.709 0.000 1.009 370 I CA -0.387 60.047 61.300 -1.443 0.000 1.114 370 I CB 1.988 39.268 38.000 -1.200 0.000 1.293 370 I HN 0.654 nan 8.210 nan 0.000 0.449 371 A N 4.264 126.872 122.820 -0.352 0.000 2.581 371 A HA 0.279 4.596 4.320 -0.004 0.000 0.290 371 A C -0.103 177.628 177.584 0.246 0.000 1.119 371 A CA -0.704 51.342 52.037 0.015 0.000 0.670 371 A CB 0.428 19.432 19.000 0.006 0.000 1.280 371 A HN 1.026 nan 8.150 nan 0.000 0.425 372 W N 1.296 122.650 121.300 0.091 0.000 2.290 372 W HA -0.143 4.515 4.660 -0.004 0.000 0.323 372 W C -0.261 176.279 176.519 0.034 0.000 1.260 372 W CA 2.275 59.663 57.345 0.071 0.000 1.266 372 W CB -0.196 29.284 29.460 0.034 0.000 1.149 372 W HN 0.639 nan 8.180 nan 0.000 0.482 373 N N 1.301 120.223 118.700 0.369 0.000 2.426 373 N HA 0.212 4.949 4.740 -0.004 0.000 0.275 373 N C -0.299 175.232 175.510 0.035 0.000 1.019 373 N CA -0.155 53.004 53.050 0.183 0.000 0.941 373 N CB 1.379 39.952 38.487 0.144 0.000 1.123 373 N HN -0.082 nan 8.380 nan 0.000 0.486 374 L N 1.028 122.107 121.223 -0.241 0.000 2.453 374 L HA 0.141 4.478 4.340 -0.004 0.000 0.261 374 L C 1.445 178.073 176.870 -0.404 0.000 1.179 374 L CA -0.400 54.023 54.840 -0.695 0.000 0.813 374 L CB 0.409 42.001 42.059 -0.779 0.000 1.110 374 L HN 0.562 nan 8.230 nan 0.000 0.466 375 S N 0.875 116.271 115.700 -0.507 0.000 2.608 375 S HA 0.184 4.651 4.470 -0.004 0.000 0.261 375 S C -1.944 172.546 174.600 -0.183 0.000 1.314 375 S CA -1.021 57.059 58.200 -0.200 0.000 0.992 375 S CB 0.768 63.898 63.200 -0.115 0.000 0.935 375 S HN 0.407 nan 8.310 nan 0.000 0.564 376 P HA -0.042 nan 4.420 nan 0.000 0.218 376 P C 0.993 178.246 177.300 -0.078 0.000 1.148 376 P CA 1.061 64.117 63.100 -0.072 0.000 0.822 376 P CB -0.021 31.660 31.700 -0.032 0.000 0.784 377 E N -0.689 119.465 120.200 -0.076 0.000 2.209 377 E HA -0.132 4.216 4.350 -0.004 0.000 0.196 377 E C 1.408 177.952 176.600 -0.094 0.000 0.993 377 E CA 1.056 57.419 56.400 -0.063 0.000 0.819 377 E CB -0.460 29.217 29.700 -0.038 0.000 0.745 377 E HN 0.246 nan 8.360 nan 0.000 0.477 378 R N -1.230 119.163 120.500 -0.178 0.000 2.507 378 R HA 0.281 4.618 4.340 -0.004 0.000 0.298 378 R C 0.559 176.754 176.300 -0.175 0.000 0.999 378 R CA 0.485 56.466 56.100 -0.197 0.000 1.082 378 R CB 0.839 30.919 30.300 -0.367 0.000 1.246 378 R HN 0.250 nan 8.270 nan 0.000 0.553 379 G N -0.203 108.517 108.800 -0.133 0.000 2.194 379 G HA2 -0.227 3.730 3.960 -0.004 0.000 0.236 379 G HA3 -0.227 3.730 3.960 -0.004 0.000 0.236 379 G C 0.331 175.170 174.900 -0.101 0.000 0.987 379 G CA -0.269 44.773 45.100 -0.098 0.000 0.635 379 G HN 0.542 nan 8.290 nan 0.000 0.520 380 G N -0.205 108.509 108.800 -0.144 0.000 2.753 380 G HA2 0.586 4.543 3.960 -0.004 0.000 0.285 380 G HA3 0.586 4.543 3.960 -0.004 0.000 0.285 380 G C 0.080 174.930 174.900 -0.083 0.000 1.344 380 G CA 0.492 45.527 45.100 -0.109 0.000 1.050 380 G HN 0.565 nan 8.290 nan 0.000 0.532 381 D N -1.522 118.844 120.400 -0.058 0.000 2.593 381 D HA 0.275 4.912 4.640 -0.004 0.000 0.241 381 D C 0.903 177.157 176.300 -0.077 0.000 1.257 381 D CA -0.369 53.594 54.000 -0.061 0.000 0.828 381 D CB 0.272 41.041 40.800 -0.051 0.000 1.049 381 D HN 0.540 nan 8.370 nan 0.000 0.490 382 G N -0.499 108.267 108.800 -0.057 0.000 2.403 382 G HA2 0.433 4.391 3.960 -0.004 0.000 0.259 382 G HA3 0.433 4.391 3.960 -0.004 0.000 0.259 382 G C 0.868 175.742 174.900 -0.043 0.000 1.244 382 G CA -0.530 44.552 45.100 -0.030 0.000 0.849 382 G HN 0.230 nan 8.290 nan 0.000 0.532 383 G N 0.833 109.548 108.800 -0.142 0.000 3.126 383 G HA2 -0.018 3.940 3.960 -0.004 0.000 0.224 383 G HA3 -0.018 3.940 3.960 -0.004 0.000 0.224 383 G C 1.064 176.104 174.900 0.233 0.000 1.142 383 G CA -0.047 44.973 45.100 -0.134 0.000 0.759 383 G HN 0.625 nan 8.290 nan 0.000 0.550 384 N N -0.986 117.834 118.700 0.200 0.000 2.439 384 N HA 0.040 4.777 4.740 -0.004 0.000 0.176 384 N C 0.497 176.069 175.510 0.103 0.000 1.029 384 N CA -0.632 52.550 53.050 0.219 0.000 0.886 384 N CB 0.177 38.764 38.487 0.166 0.000 1.057 384 N HN 0.246 nan 8.380 nan 0.000 0.437 385 W N 3.301 124.552 121.300 -0.082 0.000 2.513 385 W HA -0.064 4.593 4.660 -0.004 0.000 0.339 385 W C -0.310 176.163 176.519 -0.076 0.000 1.257 385 W CA 0.786 58.043 57.345 -0.146 0.000 1.280 385 W CB -0.287 29.070 29.460 -0.171 0.000 1.214 385 W HN 0.070 nan 8.180 nan 0.000 0.567 386 N N 4.062 122.681 118.700 -0.135 0.000 2.352 386 N HA 0.182 4.919 4.740 -0.004 0.000 0.291 386 N C -0.673 174.896 175.510 0.099 0.000 1.040 386 N CA -0.264 52.822 53.050 0.059 0.000 0.864 386 N CB 1.271 39.775 38.487 0.030 0.000 1.440 386 N HN 0.411 nan 8.380 nan 0.000 0.483 387 E N 1.949 122.307 120.200 0.263 0.000 2.887 387 E HA 0.202 4.550 4.350 -0.004 0.000 0.206 387 E C 0.437 177.214 176.600 0.295 0.000 0.983 387 E CA 0.028 56.655 56.400 0.378 0.000 1.141 387 E CB 0.576 30.527 29.700 0.418 0.000 1.061 387 E HN 0.486 nan 8.360 nan 0.000 0.468 388 R N 1.343 122.019 120.500 0.294 0.000 2.275 388 R HA 0.060 4.397 4.340 -0.004 0.000 0.199 388 R C 0.658 177.227 176.300 0.448 0.000 0.989 388 R CA 0.649 56.914 56.100 0.274 0.000 1.016 388 R CB 0.015 30.514 30.300 0.331 0.000 0.918 388 R HN 0.255 nan 8.270 nan 0.000 0.473 389 N N -2.199 116.808 118.700 0.512 0.000 3.465 389 N HA 0.004 4.741 4.740 -0.004 0.000 0.244 389 N C -0.939 174.928 175.510 0.596 0.000 1.454 389 N CA -0.526 52.865 53.050 0.568 0.000 0.865 389 N CB 1.364 40.147 38.487 0.492 0.000 1.439 389 N HN -0.193 nan 8.380 nan 0.000 0.480 390 T N -0.987 113.881 114.554 0.523 0.000 2.586 390 T HA 0.560 4.907 4.350 -0.004 0.000 0.224 390 T C -1.198 173.732 174.700 0.384 0.000 0.878 390 T CA -0.093 62.178 62.100 0.285 0.000 1.153 390 T CB 0.691 69.651 68.868 0.155 0.000 1.777 390 T HN 0.463 nan 8.240 nan 0.000 0.522 391 K N 0.705 121.406 120.400 0.502 0.000 2.522 391 K HA 0.513 4.830 4.320 -0.004 0.000 0.275 391 K C -2.896 174.074 176.600 0.616 0.000 1.006 391 K CA -2.087 54.466 56.287 0.443 0.000 0.890 391 K CB 1.390 34.124 32.500 0.390 0.000 1.475 391 K HN 0.298 nan 8.250 nan 0.000 0.441 392 P HA 0.013 nan 4.420 nan 0.000 0.266 392 P C -0.618 176.939 177.300 0.428 0.000 1.195 392 P CA 0.187 63.432 63.100 0.241 0.000 0.768 392 P CB 0.514 32.014 31.700 -0.334 0.000 0.838 393 S N 2.720 118.504 115.700 0.139 0.000 2.422 393 S HA 0.380 4.848 4.470 -0.004 0.000 0.308 393 S C 0.161 174.664 174.600 -0.163 0.000 1.097 393 S CA -0.506 57.750 58.200 0.092 0.000 1.099 393 S CB -0.698 62.443 63.200 -0.098 0.000 0.976 393 S HN 0.357 nan 8.310 nan 0.000 0.471 394 L N 4.445 125.471 121.223 -0.328 0.000 3.366 394 L HA 0.337 4.674 4.340 -0.004 0.000 0.304 394 L C 1.765 178.386 176.870 -0.415 0.000 1.292 394 L CA -0.127 54.581 54.840 -0.220 0.000 1.012 394 L CB -0.056 41.938 42.059 -0.109 0.000 1.414 394 L HN 0.792 nan 8.230 nan 0.000 0.603 395 A N 0.618 122.839 122.820 -0.997 0.000 1.883 395 A HA -0.214 4.104 4.320 -0.004 0.000 0.217 395 A C 2.443 179.841 177.584 -0.309 0.000 1.186 395 A CA 2.120 53.461 52.037 -1.160 0.000 0.624 395 A CB -0.307 18.242 19.000 -0.751 0.000 0.822 395 A HN 0.441 nan 8.150 nan 0.000 0.444 396 A N -1.588 121.154 122.820 -0.129 0.000 1.902 396 A HA -0.158 4.160 4.320 -0.004 0.000 0.217 396 A C 1.994 179.495 177.584 -0.138 0.000 1.181 396 A CA 1.678 53.683 52.037 -0.053 0.000 0.623 396 A CB -1.010 18.029 19.000 0.065 0.000 0.818 396 A HN 0.924 nan 8.150 nan 0.000 0.443 397 W N 0.844 121.922 121.300 -0.371 0.000 2.318 397 W HA -0.219 4.439 4.660 -0.004 0.000 0.313 397 W C 2.609 179.052 176.519 -0.127 0.000 1.221 397 W CA 2.238 59.249 57.345 -0.556 0.000 1.266 397 W CB -0.563 28.836 29.460 -0.102 0.000 1.150 397 W HN 0.265 nan 8.180 nan 0.000 0.496 398 S N -0.370 115.390 115.700 0.099 0.000 2.355 398 S HA -0.189 4.278 4.470 -0.004 0.000 0.222 398 S C 1.869 176.487 174.600 0.029 0.000 1.031 398 S CA 1.846 60.060 58.200 0.024 0.000 0.993 398 S CB -0.858 62.548 63.200 0.343 0.000 0.859 398 S HN 0.102 nan 8.310 nan 0.000 0.453 399 V N 1.894 121.874 119.914 0.111 0.000 2.332 399 V HA -0.185 3.932 4.120 -0.004 0.000 0.248 399 V C 2.504 178.741 176.094 0.239 0.000 1.055 399 V CA 2.201 64.659 62.300 0.263 0.000 1.038 399 V CB -0.656 31.183 31.823 0.027 0.000 0.651 399 V HN 0.547 nan 8.190 nan 0.000 0.450 400 M N 0.351 119.954 119.600 0.006 0.000 2.159 400 M HA -0.154 4.324 4.480 -0.004 0.000 0.263 400 M C 1.913 178.211 176.300 -0.003 0.000 1.063 400 M CA 1.940 57.249 55.300 0.016 0.000 1.110 400 M CB -0.568 31.934 32.600 -0.163 0.000 1.374 400 M HN 0.304 nan 8.290 nan 0.000 0.411 401 E N -0.684 119.394 120.200 -0.204 0.000 2.110 401 E HA -0.112 4.235 4.350 -0.004 0.000 0.193 401 E C 1.816 178.195 176.600 -0.369 0.000 0.988 401 E CA 1.468 57.623 56.400 -0.409 0.000 0.804 401 E CB -0.386 28.762 29.700 -0.921 0.000 0.745 401 E HN 0.391 nan 8.360 nan 0.000 0.458 402 V N 0.339 120.104 119.914 -0.247 0.000 2.343 402 V HA -0.244 3.873 4.120 -0.004 0.000 0.247 402 V C 2.074 178.030 176.094 -0.231 0.000 1.051 402 V CA 2.013 64.103 62.300 -0.349 0.000 1.036 402 V CB -0.708 30.830 31.823 -0.476 0.000 0.654 402 V HN 0.402 nan 8.190 nan 0.000 0.451 403 Y N 1.865 122.131 120.300 -0.056 0.000 2.200 403 Y HA -0.184 4.363 4.550 -0.004 0.000 0.290 403 Y C 2.468 178.322 175.900 -0.077 0.000 1.137 403 Y CA 1.722 59.835 58.100 0.022 0.000 1.163 403 Y CB -0.401 38.138 38.460 0.131 0.000 0.988 403 Y HN 0.287 nan 8.280 nan 0.000 0.518 404 N N -0.110 118.496 118.700 -0.156 0.000 2.149 404 N HA -0.176 4.561 4.740 -0.004 0.000 0.188 404 N C 1.881 177.205 175.510 -0.310 0.000 1.019 404 N CA 1.767 54.681 53.050 -0.226 0.000 0.857 404 N CB -0.505 37.916 38.487 -0.109 0.000 0.997 404 N HN 0.344 nan 8.380 nan 0.000 0.426 405 V N 0.506 120.200 119.914 -0.367 0.000 2.374 405 V HA -0.096 4.021 4.120 -0.004 0.000 0.241 405 V C 2.427 178.325 176.094 -0.327 0.000 1.034 405 V CA 1.986 64.061 62.300 -0.375 0.000 1.037 405 V CB -0.768 30.736 31.823 -0.532 0.000 0.682 405 V HN 0.482 nan 8.190 nan 0.000 0.463 406 T N -2.523 111.824 114.554 -0.345 0.000 3.043 406 T HA -0.107 4.241 4.350 -0.004 0.000 0.263 406 T C 1.065 175.602 174.700 -0.272 0.000 1.094 406 T CA 0.759 62.688 62.100 -0.284 0.000 1.127 406 T CB -0.236 68.463 68.868 -0.281 0.000 0.905 406 T HN 0.553 nan 8.240 nan 0.000 0.490 407 Q N 0.717 120.253 119.800 -0.440 0.000 2.480 407 Q HA -0.179 4.158 4.340 -0.004 0.000 0.265 407 Q C -0.763 175.124 176.000 -0.188 0.000 1.072 407 Q CA 0.798 56.273 55.803 -0.546 0.000 1.018 407 Q CB -1.827 26.719 28.738 -0.320 0.000 1.433 407 Q HN 0.663 nan 8.270 nan 0.000 0.513 408 D N 0.383 120.776 120.400 -0.011 0.000 2.441 408 D HA 0.147 4.784 4.640 -0.004 0.000 0.221 408 D C 0.753 177.279 176.300 0.378 0.000 1.156 408 D CA -0.124 53.971 54.000 0.158 0.000 0.896 408 D CB 0.724 41.578 40.800 0.091 0.000 1.028 408 D HN 0.089 nan 8.370 nan 0.000 0.509 409 K N 1.137 121.724 120.400 0.312 0.000 2.147 409 K HA -0.115 4.202 4.320 -0.004 0.000 0.205 409 K C 1.840 178.495 176.600 0.090 0.000 1.049 409 K CA 1.496 57.903 56.287 0.200 0.000 0.936 409 K CB -0.052 32.516 32.500 0.113 0.000 0.722 409 K HN 0.539 nan 8.250 nan 0.000 0.446 410 T N -1.078 113.542 114.554 0.109 0.000 2.929 410 T HA -0.189 4.158 4.350 -0.004 0.000 0.271 410 T C 1.552 176.316 174.700 0.107 0.000 1.085 410 T CA 0.465 62.609 62.100 0.073 0.000 1.125 410 T CB -0.413 68.500 68.868 0.075 0.000 0.874 410 T HN 0.497 nan 8.240 nan 0.000 0.494 411 W N 1.838 123.133 121.300 -0.007 0.000 2.379 411 W HA -0.115 4.542 4.660 -0.004 0.000 0.307 411 W C 1.626 178.115 176.519 -0.050 0.000 1.200 411 W CA 0.572 57.904 57.345 -0.022 0.000 1.297 411 W CB -0.298 29.164 29.460 0.003 0.000 1.140 411 W HN 0.141 nan 8.180 nan 0.000 0.507 412 V N 2.225 122.000 119.914 -0.232 0.000 2.407 412 V HA -0.280 3.837 4.120 -0.004 0.000 0.248 412 V C 2.790 178.689 176.094 -0.326 0.000 1.055 412 V CA 2.237 64.286 62.300 -0.419 0.000 1.049 412 V CB -1.623 29.955 31.823 -0.407 0.000 0.662 412 V HN 0.312 nan 8.190 nan 0.000 0.455 413 A N -0.603 122.087 122.820 -0.216 0.000 1.972 413 A HA -0.260 4.058 4.320 -0.004 0.000 0.219 413 A C 2.306 179.797 177.584 -0.155 0.000 1.169 413 A CA 1.940 53.881 52.037 -0.159 0.000 0.635 413 A CB -0.418 18.518 19.000 -0.106 0.000 0.810 413 A HN 0.628 nan 8.150 nan 0.000 0.446 414 E N -0.991 119.079 120.200 -0.216 0.000 2.046 414 E HA -0.140 4.207 4.350 -0.004 0.000 0.190 414 E C 1.806 178.189 176.600 -0.362 0.000 0.982 414 E CA 1.211 57.469 56.400 -0.236 0.000 0.800 414 E CB -0.109 29.471 29.700 -0.199 0.000 0.756 414 E HN 0.482 nan 8.360 nan 0.000 0.449 415 M N -0.354 118.899 119.600 -0.579 0.000 2.388 415 M HA -0.053 4.425 4.480 -0.004 0.000 0.265 415 M C 1.971 177.998 176.300 -0.455 0.000 1.088 415 M CA 0.663 55.572 55.300 -0.651 0.000 1.134 415 M CB -1.014 31.022 32.600 -0.939 0.000 1.384 415 M HN 0.176 nan 8.290 nan 0.000 0.447 416 Y N 3.422 123.468 120.300 -0.423 0.000 2.030 416 Y HA -0.226 4.321 4.550 -0.004 0.000 0.272 416 Y C -0.591 175.170 175.900 -0.232 0.000 1.185 416 Y CA 2.768 60.688 58.100 -0.301 0.000 1.120 416 Y CB -1.841 36.477 38.460 -0.238 0.000 0.955 416 Y HN 0.160 nan 8.280 nan 0.000 0.495 417 P HA -0.183 nan 4.420 nan 0.000 0.216 417 P C 0.903 178.060 177.300 -0.239 0.000 1.150 417 P CA 2.168 65.145 63.100 -0.204 0.000 0.837 417 P CB -0.064 31.591 31.700 -0.075 0.000 0.786 418 K N -0.362 119.845 120.400 -0.322 0.000 2.097 418 K HA -0.014 4.303 4.320 -0.004 0.000 0.205 418 K C 2.397 178.810 176.600 -0.312 0.000 1.050 418 K CA 0.961 57.023 56.287 -0.375 0.000 0.938 418 K CB -0.524 31.534 32.500 -0.737 0.000 0.718 418 K HN 0.147 nan 8.250 nan 0.000 0.442 419 L N 0.471 121.454 121.223 -0.399 0.000 2.056 419 L HA -0.167 4.170 4.340 -0.004 0.000 0.207 419 L C 2.287 179.128 176.870 -0.048 0.000 1.078 419 L CA 0.806 55.547 54.840 -0.163 0.000 0.749 419 L CB -0.471 41.426 42.059 -0.270 0.000 0.901 419 L HN -0.023 nan 8.230 nan 0.000 0.433 420 V N 0.219 119.973 119.914 -0.267 0.000 2.407 420 V HA -0.300 3.817 4.120 -0.004 0.000 0.248 420 V C 2.762 178.916 176.094 0.099 0.000 1.055 420 V CA 1.819 64.008 62.300 -0.184 0.000 1.049 420 V CB -0.891 30.728 31.823 -0.339 0.000 0.662 420 V HN 0.483 nan 8.190 nan 0.000 0.455 421 A N -0.996 121.885 122.820 0.102 0.000 1.902 421 A HA -0.248 4.069 4.320 -0.004 0.000 0.217 421 A C 2.215 180.039 177.584 0.399 0.000 1.181 421 A CA 1.893 54.056 52.037 0.209 0.000 0.623 421 A CB -0.726 18.360 19.000 0.144 0.000 0.818 421 A HN 0.562 nan 8.150 nan 0.000 0.443 422 Y N 0.317 120.787 120.300 0.283 0.000 2.145 422 Y HA -0.223 4.324 4.550 -0.004 0.000 0.286 422 Y C 2.450 178.698 175.900 0.579 0.000 1.145 422 Y CA 1.707 60.052 58.100 0.408 0.000 1.148 422 Y CB -1.008 37.735 38.460 0.473 0.000 0.981 422 Y HN 0.638 nan 8.280 nan 0.000 0.507 423 H N 0.306 119.634 119.070 0.430 0.000 2.289 423 H HA -0.177 4.376 4.556 -0.004 0.000 0.296 423 H C 1.445 176.975 175.328 0.337 0.000 1.091 423 H CA 2.254 58.486 56.048 0.306 0.000 1.274 423 H CB -0.361 29.462 29.762 0.103 0.000 1.364 423 H HN 0.321 nan 8.280 nan 0.000 0.490 424 D N -0.316 120.404 120.400 0.533 0.000 2.178 424 D HA -0.153 4.484 4.640 -0.004 0.000 0.201 424 D C 2.096 178.561 176.300 0.274 0.000 0.980 424 D CA 0.849 55.077 54.000 0.379 0.000 0.842 424 D CB -0.803 40.186 40.800 0.316 0.000 0.948 424 D HN 0.528 nan 8.370 nan 0.000 0.472 425 W N 0.761 122.165 121.300 0.174 0.000 2.355 425 W HA -0.190 4.467 4.660 -0.005 0.000 0.309 425 W C 1.798 178.326 176.519 0.016 0.000 1.206 425 W CA 1.204 58.599 57.345 0.083 0.000 1.284 425 W CB -0.802 28.718 29.460 0.101 0.000 1.145 425 W HN -0.034 nan 8.180 nan 0.000 0.502 426 W N 0.391 121.647 121.300 -0.074 0.000 2.338 426 W HA -0.190 4.468 4.660 -0.005 0.000 0.304 426 W C 2.310 178.592 176.519 -0.395 0.000 1.212 426 W CA 1.555 58.667 57.345 -0.389 0.000 1.264 426 W CB -1.013 28.323 29.460 -0.207 0.000 1.142 426 W HN -0.152 nan 8.180 nan 0.000 0.512 427 L N -0.324 120.873 121.223 -0.043 0.000 2.217 427 L HA -0.084 4.254 4.340 -0.004 0.000 0.211 427 L C 2.452 179.249 176.870 -0.121 0.000 1.107 427 L CA 1.115 55.906 54.840 -0.082 0.000 0.783 427 L CB -0.597 41.437 42.059 -0.043 0.000 0.919 427 L HN -0.008 nan 8.230 nan 0.000 0.442 428 R N -0.304 120.096 120.500 -0.166 0.000 2.112 428 R HA 0.033 4.371 4.340 -0.004 0.000 0.216 428 R C 1.209 177.350 176.300 -0.264 0.000 1.080 428 R CA 0.855 56.856 56.100 -0.164 0.000 0.996 428 R CB -0.037 30.207 30.300 -0.093 0.000 0.902 428 R HN 0.310 nan 8.270 nan 0.000 0.449 429 N N -0.227 118.169 118.700 -0.507 0.000 2.205 429 N HA 0.071 4.808 4.740 -0.004 0.000 0.201 429 N C -0.035 175.183 175.510 -0.487 0.000 1.128 429 N CA 0.227 52.951 53.050 -0.543 0.000 0.867 429 N CB 0.791 38.829 38.487 -0.749 0.000 0.996 429 N HN -0.124 nan 8.380 nan 0.000 0.503 430 R N 0.608 120.855 120.500 -0.422 0.000 2.795 430 R HA 0.242 4.579 4.340 -0.004 0.000 0.320 430 R C -1.022 175.218 176.300 -0.099 0.000 1.223 430 R CA -0.080 55.898 56.100 -0.204 0.000 1.305 430 R CB 0.074 30.316 30.300 -0.097 0.000 1.318 430 R HN -0.020 nan 8.270 nan 0.000 0.636 431 D N -0.459 119.880 120.400 -0.101 0.000 2.668 431 D HA 0.051 4.688 4.640 -0.004 0.000 0.247 431 D C 0.788 177.063 176.300 -0.041 0.000 1.268 431 D CA -0.270 53.688 54.000 -0.071 0.000 0.842 431 D CB 0.131 40.872 40.800 -0.098 0.000 1.399 431 D HN 0.170 nan 8.370 nan 0.000 0.530 432 H N 2.503 121.513 119.070 -0.100 0.000 2.254 432 H HA -0.151 4.402 4.556 -0.004 0.000 0.294 432 H C 1.423 176.710 175.328 -0.069 0.000 1.071 432 H CA 2.709 58.702 56.048 -0.090 0.000 1.228 432 H CB 0.380 30.093 29.762 -0.082 0.000 1.358 432 H HN 0.322 nan 8.280 nan 0.000 0.495 433 N N 0.506 119.184 118.700 -0.037 0.000 2.421 433 N HA 0.021 4.759 4.740 -0.004 0.000 0.201 433 N C 0.770 176.232 175.510 -0.079 0.000 1.198 433 N CA 0.807 53.807 53.050 -0.083 0.000 0.838 433 N CB -0.775 37.720 38.487 0.013 0.000 1.011 433 N HN 0.584 nan 8.380 nan 0.000 0.463 434 G N 2.149 110.893 108.800 -0.093 0.000 2.441 434 G HA2 -0.374 3.584 3.960 -0.004 0.000 0.298 434 G HA3 -0.374 3.584 3.960 -0.004 0.000 0.298 434 G C 0.590 175.447 174.900 -0.070 0.000 0.949 434 G CA 0.746 45.796 45.100 -0.084 0.000 1.072 434 G HN 0.744 nan 8.290 nan 0.000 0.512 435 N N -0.661 117.991 118.700 -0.081 0.000 2.280 435 N HA 0.355 5.093 4.740 -0.004 0.000 0.192 435 N C 1.629 177.057 175.510 -0.137 0.000 1.109 435 N CA 0.688 53.685 53.050 -0.088 0.000 0.855 435 N CB 0.084 38.523 38.487 -0.081 0.000 0.974 435 N HN 1.452 nan 8.380 nan 0.000 0.482 436 G N -0.948 107.769 108.800 -0.137 0.000 2.141 436 G HA2 -0.216 3.741 3.960 -0.004 0.000 0.242 436 G HA3 -0.216 3.741 3.960 -0.004 0.000 0.242 436 G C -0.566 174.206 174.900 -0.213 0.000 0.982 436 G CA 0.266 45.283 45.100 -0.139 0.000 0.662 436 G HN 0.316 nan 8.290 nan 0.000 0.527 437 V N 1.748 121.490 119.914 -0.286 0.000 2.327 437 V HA 0.360 4.477 4.120 -0.004 0.000 0.272 437 V C -1.632 174.316 176.094 -0.243 0.000 1.019 437 V CA -1.512 60.573 62.300 -0.359 0.000 0.814 437 V CB 1.639 33.035 31.823 -0.712 0.000 1.040 437 V HN 0.101 nan 8.190 nan 0.000 0.440 438 P HA 0.079 nan 4.420 nan 0.000 0.271 438 P C -0.434 176.771 177.300 -0.159 0.000 1.212 438 P CA 0.323 63.329 63.100 -0.156 0.000 0.788 438 P CB 0.660 32.248 31.700 -0.187 0.000 0.865 439 E N -0.827 119.318 120.200 -0.092 0.000 2.416 439 E HA 0.448 4.795 4.350 -0.004 0.000 0.273 439 E C -1.185 175.418 176.600 0.005 0.000 0.935 439 E CA -0.554 55.805 56.400 -0.067 0.000 0.784 439 E CB 0.590 30.302 29.700 0.019 0.000 1.301 439 E HN 0.256 nan 8.360 nan 0.000 0.454 440 Y N 0.335 120.732 120.300 0.163 0.000 2.304 440 Y HA 0.635 5.182 4.550 -0.004 0.000 0.328 440 Y C 0.970 176.972 175.900 0.170 0.000 1.123 440 Y CA 0.417 58.633 58.100 0.193 0.000 1.218 440 Y CB 1.354 39.850 38.460 0.060 0.000 1.207 440 Y HN 0.621 nan 8.280 nan 0.000 0.495 441 G N 0.114 109.150 108.800 0.394 0.000 2.896 441 G HA2 0.786 4.743 3.960 -0.004 0.000 0.247 441 G HA3 0.786 4.743 3.960 -0.004 0.000 0.247 441 G C -1.676 173.432 174.900 0.346 0.000 1.187 441 G CA -0.243 45.045 45.100 0.313 0.000 0.837 441 G HN 0.803 nan 8.290 nan 0.000 0.559 442 A N -1.141 121.896 122.820 0.361 0.000 2.593 442 A HA 0.900 5.218 4.320 -0.004 0.000 0.290 442 A C 0.041 177.867 177.584 0.404 0.000 1.126 442 A CA 0.388 52.671 52.037 0.410 0.000 0.695 442 A CB 1.081 20.277 19.000 0.327 0.000 1.290 442 A HN 1.768 nan 8.150 nan 0.000 0.414 443 T N -1.330 113.460 114.554 0.393 0.000 2.897 443 T HA 0.599 4.946 4.350 -0.004 0.000 0.278 443 T C 0.239 175.116 174.700 0.294 0.000 0.981 443 T CA -0.688 61.523 62.100 0.186 0.000 0.973 443 T CB 0.857 69.672 68.868 -0.088 0.000 1.092 443 T HN 0.800 nan 8.240 nan 0.000 0.543 444 R N 1.086 121.643 120.500 0.094 0.000 2.316 444 R HA 0.346 4.683 4.340 -0.004 0.000 0.314 444 R C -1.188 175.153 176.300 0.068 0.000 1.069 444 R CA -0.079 56.088 56.100 0.111 0.000 0.959 444 R CB -0.175 30.128 30.300 0.005 0.000 0.987 444 R HN 0.869 nan 8.270 nan 0.000 0.446 445 D N 2.084 122.521 120.400 0.062 0.000 2.661 445 D HA 0.163 4.800 4.640 -0.004 0.000 0.228 445 D C 0.129 176.406 176.300 -0.038 0.000 1.210 445 D CA -0.672 53.268 54.000 -0.099 0.000 0.826 445 D CB 1.714 42.250 40.800 -0.439 0.000 1.542 445 D HN 0.391 nan 8.370 nan 0.000 0.447 446 K N 0.848 121.233 120.400 -0.026 0.000 2.211 446 K HA -0.092 4.225 4.320 -0.004 0.000 0.204 446 K C 1.450 178.062 176.600 0.020 0.000 1.047 446 K CA 1.262 57.557 56.287 0.012 0.000 0.935 446 K CB -0.060 32.450 32.500 0.016 0.000 0.728 446 K HN 0.359 nan 8.250 nan 0.000 0.452 447 A N 0.296 123.100 122.820 -0.026 0.000 2.169 447 A HA -0.048 4.270 4.320 -0.004 0.000 0.212 447 A C 1.255 178.948 177.584 0.180 0.000 1.153 447 A CA 0.725 52.786 52.037 0.041 0.000 0.756 447 A CB -0.364 18.655 19.000 0.033 0.000 0.813 447 A HN 0.363 nan 8.150 nan 0.000 0.471 448 H N -0.975 118.126 119.070 0.051 0.000 2.545 448 H HA 0.102 4.655 4.556 -0.004 0.000 0.283 448 H C -0.022 175.344 175.328 0.063 0.000 0.997 448 H CA 0.225 56.289 56.048 0.025 0.000 1.269 448 H CB 0.270 30.096 29.762 0.106 0.000 1.451 448 H HN 0.693 nan 8.280 nan 0.000 0.508 449 N N 0.463 119.312 118.700 0.249 0.000 2.262 449 N HA 0.163 4.900 4.740 -0.004 0.000 0.295 449 N C -0.437 175.143 175.510 0.116 0.000 1.161 449 N CA -0.708 52.462 53.050 0.201 0.000 0.767 449 N CB 1.496 40.153 38.487 0.282 0.000 1.499 449 N HN 0.000 nan 8.380 nan 0.000 0.476 450 T N -2.139 112.468 114.554 0.088 0.000 2.701 450 T HA 0.118 4.465 4.350 -0.004 0.000 0.303 450 T C 0.822 175.554 174.700 0.054 0.000 1.030 450 T CA -0.281 61.852 62.100 0.055 0.000 1.010 450 T CB 0.395 69.286 68.868 0.039 0.000 1.007 450 T HN 0.604 nan 8.240 nan 0.000 0.532 451 E N 0.472 120.694 120.200 0.038 0.000 2.160 451 E HA -0.129 4.219 4.350 -0.004 0.000 0.195 451 E C 2.248 178.869 176.600 0.034 0.000 0.991 451 E CA 1.429 57.849 56.400 0.033 0.000 0.810 451 E CB -0.221 29.494 29.700 0.024 0.000 0.742 451 E HN 0.812 nan 8.360 nan 0.000 0.466 452 S N -0.591 115.131 115.700 0.036 0.000 2.603 452 S HA 0.157 4.625 4.470 -0.004 0.000 0.220 452 S C 1.503 176.130 174.600 0.045 0.000 0.967 452 S CA 0.282 58.503 58.200 0.036 0.000 0.920 452 S CB 0.428 63.648 63.200 0.034 0.000 0.773 452 S HN 0.376 nan 8.310 nan 0.000 0.529 453 G N 0.696 109.532 108.800 0.059 0.000 2.132 453 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.228 453 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.228 453 G C -0.407 174.559 174.900 0.109 0.000 1.000 453 G CA -0.136 45.008 45.100 0.074 0.000 0.693 453 G HN 0.588 nan 8.290 nan 0.000 0.515 454 E N 0.093 120.359 120.200 0.110 0.000 2.146 454 E HA 0.407 4.754 4.350 -0.004 0.000 0.282 454 E C 0.839 177.534 176.600 0.159 0.000 0.989 454 E CA -0.683 55.794 56.400 0.128 0.000 0.799 454 E CB 0.965 30.719 29.700 0.091 0.000 1.088 454 E HN 0.439 nan 8.360 nan 0.000 0.397 455 M N 4.730 124.459 119.600 0.215 0.000 2.284 455 M HA 0.016 4.494 4.480 -0.004 0.000 0.351 455 M C -0.909 175.482 176.300 0.152 0.000 1.443 455 M CA 0.336 55.749 55.300 0.189 0.000 1.031 455 M CB 0.237 32.933 32.600 0.161 0.000 1.893 455 M HN 0.445 nan 8.290 nan 0.000 0.456 456 L N 6.210 127.477 121.223 0.074 0.000 2.439 456 L HA 0.691 5.029 4.340 -0.004 0.000 0.259 456 L C -0.554 176.370 176.870 0.091 0.000 1.129 456 L CA -0.654 54.183 54.840 -0.004 0.000 0.803 456 L CB 0.767 42.815 42.059 -0.018 0.000 1.161 456 L HN 0.827 nan 8.230 nan 0.000 0.462 457 F N -1.969 117.943 119.950 -0.064 0.000 2.804 457 F HA 0.487 5.012 4.527 -0.005 0.000 0.320 457 F C -1.278 174.486 175.800 -0.060 0.000 1.135 457 F CA -0.892 57.055 58.000 -0.088 0.000 0.947 457 F CB 0.833 39.782 39.000 -0.086 0.000 1.260 457 F HN 0.245 nan 8.300 nan 0.000 0.447 458 T N 2.316 116.975 114.554 0.175 0.000 2.863 458 T HA 0.729 5.076 4.350 -0.004 0.000 0.285 458 T C -0.984 173.783 174.700 0.111 0.000 1.009 458 T CA -0.753 61.393 62.100 0.076 0.000 0.989 458 T CB 2.089 70.961 68.868 0.005 0.000 1.004 458 T HN 0.639 nan 8.240 nan 0.000 0.455 459 V N 2.601 122.564 119.914 0.082 0.000 2.630 459 V HA 0.788 4.905 4.120 -0.004 0.000 0.305 459 V C -0.189 175.922 176.094 0.028 0.000 1.046 459 V CA -0.818 61.500 62.300 0.030 0.000 0.934 459 V CB 1.801 33.672 31.823 0.080 0.000 1.003 459 V HN 0.723 nan 8.190 nan 0.000 0.451 460 K N 2.677 123.097 120.400 0.033 0.000 2.498 460 K HA 0.674 4.992 4.320 -0.004 0.000 0.254 460 K C -0.937 175.728 176.600 0.110 0.000 0.933 460 K CA -0.649 55.674 56.287 0.059 0.000 0.806 460 K CB 1.659 34.183 32.500 0.041 0.000 1.301 460 K HN 0.497 nan 8.250 nan 0.000 0.432 461 K N 2.129 122.581 120.400 0.087 0.000 3.394 461 K HA 0.407 4.725 4.320 -0.004 0.000 0.175 461 K C 0.105 176.738 176.600 0.054 0.000 1.047 461 K CA 0.536 56.875 56.287 0.088 0.000 0.814 461 K CB 0.261 32.816 32.500 0.092 0.000 0.803 461 K HN 0.768 nan 8.250 nan 0.000 0.522 462 G N 0.609 109.437 108.800 0.047 0.000 2.953 462 G HA2 -0.211 3.746 3.960 -0.004 0.000 0.201 462 G HA3 -0.211 3.746 3.960 -0.004 0.000 0.201 462 G C 0.377 175.293 174.900 0.026 0.000 1.501 462 G CA 0.332 45.451 45.100 0.032 0.000 1.094 462 G HN 0.381 nan 8.290 nan 0.000 0.555 463 D N -0.164 120.252 120.400 0.026 0.000 2.116 463 D HA 0.117 4.754 4.640 -0.004 0.000 0.347 463 D C 0.205 176.517 176.300 0.021 0.000 1.045 463 D CA 0.091 54.103 54.000 0.020 0.000 0.885 463 D CB 0.593 41.403 40.800 0.016 0.000 1.654 463 D HN 0.328 nan 8.370 nan 0.000 0.533 464 K N 1.989 122.404 120.400 0.025 0.000 2.270 464 K HA 0.363 4.681 4.320 -0.004 0.000 0.276 464 K C 0.203 176.820 176.600 0.028 0.000 1.023 464 K CA 0.179 56.481 56.287 0.025 0.000 0.955 464 K CB 1.485 34.002 32.500 0.028 0.000 0.975 464 K HN 0.107 nan 8.250 nan 0.000 0.471 465 E N 1.604 121.816 120.200 0.021 0.000 2.199 465 E HA 0.198 4.545 4.350 -0.004 0.000 0.265 465 E C -1.024 175.585 176.600 0.014 0.000 0.882 465 E CA -0.485 55.925 56.400 0.018 0.000 0.759 465 E CB 2.041 31.747 29.700 0.009 0.000 1.148 465 E HN 0.429 nan 8.360 nan 0.000 0.412 466 E N 2.348 122.560 120.200 0.019 0.000 2.235 466 E HA 0.208 4.556 4.350 -0.004 0.000 0.252 466 E C -1.168 175.421 176.600 -0.018 0.000 0.886 466 E CA -0.362 56.044 56.400 0.010 0.000 0.767 466 E CB 1.180 30.902 29.700 0.036 0.000 1.205 466 E HN 0.288 nan 8.360 nan 0.000 0.421 467 T N 3.184 117.699 114.554 -0.064 0.000 2.910 467 T HA 0.338 4.685 4.350 -0.004 0.000 0.293 467 T C -0.149 174.397 174.700 -0.257 0.000 1.015 467 T CA -0.312 61.698 62.100 -0.150 0.000 1.094 467 T CB 1.287 70.084 68.868 -0.118 0.000 0.968 467 T HN 0.503 nan 8.240 nan 0.000 0.521 468 Q N 0.324 119.792 119.800 -0.555 0.000 2.885 468 Q HA 0.706 5.043 4.340 -0.004 0.000 0.353 468 Q C -1.248 174.236 176.000 -0.859 0.000 0.784 468 Q CA -1.120 54.282 55.803 -0.668 0.000 0.840 468 Q CB 1.875 30.202 28.738 -0.686 0.000 1.306 468 Q HN 0.810 nan 8.270 nan 0.000 0.510 469 S N -1.570 113.754 115.700 -0.626 0.000 2.595 469 S HA 0.780 5.247 4.470 -0.004 0.000 0.270 469 S C -0.716 173.949 174.600 0.109 0.000 1.145 469 S CA -0.311 57.742 58.200 -0.244 0.000 0.825 469 S CB 1.554 64.684 63.200 -0.117 0.000 1.107 469 S HN 1.480 nan 8.310 nan 0.000 0.461 470 G N 0.245 109.183 108.800 0.231 0.000 3.225 470 G HA2 0.167 4.125 3.960 -0.004 0.000 0.686 470 G HA3 0.167 4.125 3.960 -0.004 0.000 0.686 470 G C -0.067 175.034 174.900 0.336 0.000 1.105 470 G CA -0.232 45.015 45.100 0.245 0.000 0.831 470 G HN 1.623 nan 8.290 nan 0.000 0.578 471 L N 2.018 123.391 121.223 0.251 0.000 2.042 471 L HA -0.087 4.251 4.340 -0.004 0.000 0.210 471 L C 2.561 179.592 176.870 0.268 0.000 1.076 471 L CA 2.894 57.885 54.840 0.251 0.000 0.749 471 L CB -0.382 41.790 42.059 0.188 0.000 0.893 471 L HN 0.721 nan 8.230 nan 0.000 0.432 472 N N 0.068 118.885 118.700 0.196 0.000 2.043 472 N HA -0.204 4.533 4.740 -0.004 0.000 0.193 472 N C 1.584 177.184 175.510 0.150 0.000 1.037 472 N CA 1.729 54.866 53.050 0.146 0.000 0.851 472 N CB -0.712 37.842 38.487 0.112 0.000 1.027 472 N HN 0.485 nan 8.380 nan 0.000 0.422 473 N N 0.787 119.616 118.700 0.215 0.000 2.149 473 N HA -0.183 4.555 4.740 -0.004 0.000 0.188 473 N C 1.786 177.428 175.510 0.219 0.000 1.019 473 N CA 0.660 53.861 53.050 0.253 0.000 0.857 473 N CB -0.534 38.161 38.487 0.346 0.000 0.997 473 N HN 0.411 nan 8.380 nan 0.000 0.426 474 Y N 1.766 122.071 120.300 0.008 0.000 2.128 474 Y HA -0.177 4.370 4.550 -0.004 0.000 0.284 474 Y C 2.338 178.082 175.900 -0.260 0.000 1.154 474 Y CA 1.795 59.579 58.100 -0.527 0.000 1.149 474 Y CB -0.646 37.511 38.460 -0.505 0.000 0.976 474 Y HN 0.055 nan 8.280 nan 0.000 0.505 475 A N 0.829 123.439 122.820 -0.349 0.000 1.933 475 A HA -0.171 4.146 4.320 -0.004 0.000 0.218 475 A C 2.435 179.884 177.584 -0.226 0.000 1.175 475 A CA 2.571 54.381 52.037 -0.378 0.000 0.628 475 A CB -1.319 17.613 19.000 -0.113 0.000 0.814 475 A HN 0.580 nan 8.150 nan 0.000 0.444 476 R N -0.594 119.846 120.500 -0.101 0.000 2.081 476 R HA 0.006 4.343 4.340 -0.004 0.000 0.235 476 R C 2.221 178.499 176.300 -0.037 0.000 1.131 476 R CA 1.849 57.928 56.100 -0.034 0.000 0.960 476 R CB -1.751 28.567 30.300 0.030 0.000 0.856 476 R HN 0.412 nan 8.270 nan 0.000 0.436 477 V N 0.555 120.435 119.914 -0.057 0.000 2.323 477 V HA -0.177 3.941 4.120 -0.004 0.000 0.244 477 V C 2.542 178.650 176.094 0.025 0.000 1.041 477 V CA 1.728 64.028 62.300 -0.000 0.000 1.025 477 V CB -0.246 31.569 31.823 -0.013 0.000 0.656 477 V HN 0.390 nan 8.190 nan 0.000 0.451 478 V N 0.334 120.153 119.914 -0.160 0.000 2.867 478 V HA -0.255 3.863 4.120 -0.004 0.000 0.260 478 V C 2.338 178.400 176.094 -0.053 0.000 1.099 478 V CA 1.968 64.228 62.300 -0.066 0.000 1.122 478 V CB -0.741 30.829 31.823 -0.421 0.000 0.708 478 V HN 0.687 nan 8.190 nan 0.000 0.490 479 E N 0.661 120.814 120.200 -0.078 0.000 2.015 479 E HA -0.227 4.121 4.350 -0.004 0.000 0.191 479 E C 2.264 178.839 176.600 -0.042 0.000 0.991 479 E CA 1.365 57.730 56.400 -0.059 0.000 0.802 479 E CB -0.018 29.654 29.700 -0.047 0.000 0.759 479 E HN 0.586 nan 8.360 nan 0.000 0.447 480 K N -0.819 119.568 120.400 -0.021 0.000 1.978 480 K HA -0.104 4.213 4.320 -0.004 0.000 0.214 480 K C 1.401 177.938 176.600 -0.104 0.000 1.049 480 K CA 1.204 57.469 56.287 -0.036 0.000 0.939 480 K CB -0.299 32.200 32.500 -0.002 0.000 0.721 480 K HN 0.409 nan 8.250 nan 0.000 0.441 481 G N 1.276 109.968 108.800 -0.179 0.000 2.132 481 G HA2 -0.248 3.709 3.960 -0.004 0.000 0.228 481 G HA3 -0.248 3.709 3.960 -0.004 0.000 0.228 481 G C -0.104 174.481 174.900 -0.525 0.000 1.000 481 G CA 0.155 44.959 45.100 -0.494 0.000 0.693 481 G HN 0.399 nan 8.290 nan 0.000 0.515 482 Q N -0.348 119.269 119.800 -0.305 0.000 2.526 482 Q HA 0.449 4.787 4.340 -0.004 0.000 0.353 482 Q C -0.132 175.828 176.000 -0.066 0.000 0.977 482 Q CA -0.367 55.339 55.803 -0.163 0.000 1.027 482 Q CB 0.099 28.806 28.738 -0.052 0.000 1.272 482 Q HN 0.807 nan 8.270 nan 0.000 0.420 483 Y N -3.589 116.711 120.300 0.000 0.000 2.576 483 Y HA 0.453 5.001 4.550 -0.004 0.000 0.346 483 Y C 0.137 176.040 175.900 0.006 0.000 1.018 483 Y CA -1.750 56.355 58.100 0.007 0.000 1.050 483 Y CB 0.904 39.371 38.460 0.012 0.000 1.280 483 Y HN -0.161 nan 8.280 nan 0.000 0.474 484 D N 0.993 121.549 120.400 0.260 0.000 2.354 484 D HA 0.092 4.730 4.640 -0.004 0.000 0.209 484 D C -0.428 175.998 176.300 0.210 0.000 1.015 484 D CA 1.149 55.250 54.000 0.169 0.000 0.867 484 D CB 0.369 41.225 40.800 0.093 0.000 0.933 484 D HN 0.554 nan 8.370 nan 0.000 0.520 485 S N -0.103 115.755 115.700 0.264 0.000 2.602 485 S HA 0.349 4.817 4.470 -0.004 0.000 0.301 485 S C -1.485 173.054 174.600 -0.101 0.000 1.091 485 S CA -1.015 57.252 58.200 0.111 0.000 0.895 485 S CB 1.099 64.335 63.200 0.059 0.000 1.090 485 S HN -0.015 nan 8.310 nan 0.000 0.449 486 L N 2.244 123.316 121.223 -0.253 0.000 2.319 486 L HA 0.593 4.930 4.340 -0.004 0.000 0.281 486 L C -0.534 176.237 176.870 -0.164 0.000 1.005 486 L CA -0.077 54.549 54.840 -0.357 0.000 0.828 486 L CB 1.310 42.958 42.059 -0.685 0.000 1.227 486 L HN 0.836 nan 8.230 nan 0.000 0.415 487 E N 6.451 126.599 120.200 -0.087 0.000 2.174 487 E HA 0.418 4.765 4.350 -0.004 0.000 0.282 487 E C -0.863 175.684 176.600 -0.088 0.000 0.992 487 E CA -0.470 55.880 56.400 -0.082 0.000 0.803 487 E CB 1.843 31.512 29.700 -0.051 0.000 1.090 487 E HN 0.368 nan 8.360 nan 0.000 0.396 488 I N 4.668 125.114 120.570 -0.207 0.000 2.537 488 I HA 0.153 4.321 4.170 -0.004 0.000 0.276 488 I C -2.009 173.863 176.117 -0.408 0.000 1.063 488 I CA -2.400 58.715 61.300 -0.309 0.000 1.144 488 I CB 0.875 38.557 38.000 -0.530 0.000 1.252 488 I HN 0.193 nan 8.210 nan 0.000 0.480 489 P HA -0.270 nan 4.420 nan 0.000 0.219 489 P C 1.704 178.653 177.300 -0.586 0.000 1.161 489 P CA 2.356 65.276 63.100 -0.300 0.000 0.909 489 P CB 0.442 32.093 31.700 -0.081 0.000 0.793 490 A N -0.813 121.523 122.820 -0.805 0.000 1.948 490 A HA -0.307 4.010 4.320 -0.004 0.000 0.220 490 A C 2.354 179.414 177.584 -0.873 0.000 1.177 490 A CA 2.067 53.396 52.037 -1.181 0.000 0.636 490 A CB -1.407 16.979 19.000 -1.023 0.000 0.815 490 A HN 0.260 nan 8.150 nan 0.000 0.449 491 Q N -0.661 118.450 119.800 -1.149 0.000 2.187 491 Q HA -0.041 4.297 4.340 -0.004 0.000 0.199 491 Q C 1.822 177.431 176.000 -0.652 0.000 0.957 491 Q CA 1.174 56.248 55.803 -1.216 0.000 0.857 491 Q CB -0.069 27.848 28.738 -1.369 0.000 0.929 491 Q HN 0.430 nan 8.270 nan 0.000 0.453 492 V N 0.638 120.177 119.914 -0.625 0.000 2.490 492 V HA -0.231 3.886 4.120 -0.004 0.000 0.250 492 V C 2.167 177.683 176.094 -0.962 0.000 1.061 492 V CA 1.727 63.642 62.300 -0.643 0.000 1.064 492 V CB -0.697 30.747 31.823 -0.632 0.000 0.670 492 V HN 0.466 nan 8.190 nan 0.000 0.461 493 A N -0.210 122.133 122.820 -0.797 0.000 1.970 493 A HA 0.098 4.416 4.320 -0.004 0.000 0.216 493 A C 2.380 179.873 177.584 -0.152 0.000 1.170 493 A CA 1.439 53.167 52.037 -0.515 0.000 0.645 493 A CB -0.515 18.422 19.000 -0.106 0.000 0.816 493 A HN 0.523 nan 8.150 nan 0.000 0.447 494 A N 0.542 123.260 122.820 -0.170 0.000 1.972 494 A HA -0.077 4.240 4.320 -0.004 0.000 0.219 494 A C 2.456 179.948 177.584 -0.153 0.000 1.169 494 A CA 2.149 54.181 52.037 -0.008 0.000 0.635 494 A CB -0.782 18.279 19.000 0.101 0.000 0.810 494 A HN 0.902 nan 8.150 nan 0.000 0.446 495 S N -1.845 113.703 115.700 -0.252 0.000 2.406 495 S HA -0.138 4.329 4.470 -0.004 0.000 0.228 495 S C 1.725 176.225 174.600 -0.168 0.000 1.020 495 S CA 0.843 58.859 58.200 -0.305 0.000 0.965 495 S CB -0.579 62.529 63.200 -0.154 0.000 0.798 495 S HN 0.653 nan 8.310 nan 0.000 0.488 496 W N 2.273 123.470 121.300 -0.172 0.000 2.381 496 W HA 0.183 4.840 4.660 -0.005 0.000 0.301 496 W C 2.497 178.934 176.519 -0.137 0.000 1.205 496 W CA 0.514 57.789 57.345 -0.117 0.000 1.285 496 W CB -1.142 28.330 29.460 0.020 0.000 1.133 496 W HN 0.538 nan 8.180 nan 0.000 0.521 497 E N 0.562 120.856 120.200 0.156 0.000 2.204 497 E HA -0.188 4.159 4.350 -0.004 0.000 0.195 497 E C 2.215 178.661 176.600 -0.257 0.000 0.990 497 E CA 1.862 58.343 56.400 0.135 0.000 0.821 497 E CB -0.043 29.851 29.700 0.323 0.000 0.750 497 E HN 0.129 nan 8.360 nan 0.000 0.477 498 S N -1.344 113.944 115.700 -0.687 0.000 2.461 498 S HA 0.083 4.551 4.470 -0.004 0.000 0.228 498 S C 1.736 175.808 174.600 -0.880 0.000 1.005 498 S CA 0.808 58.162 58.200 -1.410 0.000 0.942 498 S CB 0.216 62.561 63.200 -1.424 0.000 0.776 498 S HN 0.508 nan 8.310 nan 0.000 0.514 499 G N 1.317 109.735 108.800 -0.636 0.000 2.195 499 G HA2 -0.244 3.713 3.960 -0.004 0.000 0.246 499 G HA3 -0.244 3.713 3.960 -0.004 0.000 0.246 499 G C 0.246 174.582 174.900 -0.940 0.000 0.984 499 G CA 0.055 44.739 45.100 -0.694 0.000 0.633 499 G HN 0.596 nan 8.290 nan 0.000 0.525 500 R N 0.786 120.747 120.500 -0.898 0.000 2.585 500 R HA 0.354 4.691 4.340 -0.004 0.000 0.278 500 R C 0.640 176.562 176.300 -0.629 0.000 1.663 500 R CA 0.148 55.474 56.100 -1.289 0.000 1.592 500 R CB 0.422 30.291 30.300 -0.718 0.000 1.200 500 R HN 0.400 nan 8.270 nan 0.000 0.611 501 D N -0.675 119.396 120.400 -0.549 0.000 2.389 501 D HA -0.199 4.438 4.640 -0.004 0.000 0.221 501 D C 0.522 176.440 176.300 -0.636 0.000 0.974 501 D CA 0.993 54.794 54.000 -0.332 0.000 0.923 501 D CB 0.263 41.037 40.800 -0.044 0.000 0.892 501 D HN 0.339 nan 8.370 nan 0.000 0.518 502 D N -1.064 119.115 120.400 -0.368 0.000 2.651 502 D HA 0.293 4.930 4.640 -0.004 0.000 0.280 502 D C -0.304 176.093 176.300 0.161 0.000 1.496 502 D CA -0.253 53.508 54.000 -0.398 0.000 0.792 502 D CB 0.337 41.131 40.800 -0.011 0.000 1.144 502 D HN 0.267 nan 8.370 nan 0.000 0.470 503 A N 0.164 123.180 122.820 0.327 0.000 2.425 503 A HA 0.553 4.871 4.320 -0.004 0.000 0.242 503 A C 1.634 179.526 177.584 0.513 0.000 1.077 503 A CA 0.395 52.697 52.037 0.443 0.000 0.781 503 A CB 0.586 19.794 19.000 0.346 0.000 1.020 503 A HN 0.312 nan 8.150 nan 0.000 0.494 504 A N 1.639 124.700 122.820 0.401 0.000 1.969 504 A HA 0.012 4.330 4.320 -0.004 0.000 0.218 504 A C 1.991 179.766 177.584 0.319 0.000 1.169 504 A CA 1.652 53.968 52.037 0.465 0.000 0.635 504 A CB -0.788 18.493 19.000 0.469 0.000 0.810 504 A HN 1.467 nan 8.150 nan 0.000 0.445 505 V N -1.256 118.693 119.914 0.058 0.000 2.720 505 V HA -0.117 4.001 4.120 -0.004 0.000 0.256 505 V C 0.962 176.882 176.094 -0.290 0.000 1.082 505 V CA 1.408 63.577 62.300 -0.218 0.000 1.101 505 V CB -0.701 30.851 31.823 -0.452 0.000 0.693 505 V HN 0.488 nan 8.190 nan 0.000 0.479 506 F N 0.745 120.837 119.950 0.237 0.000 2.819 506 F HA 0.570 5.094 4.527 -0.005 0.000 0.294 506 F C 1.600 177.338 175.800 -0.104 0.000 1.166 506 F CA -0.084 58.013 58.000 0.162 0.000 1.374 506 F CB -0.038 39.169 39.000 0.345 0.000 0.956 506 F HN 0.198 nan 8.300 nan 0.000 0.509 507 G N -0.400 108.461 108.800 0.102 0.000 2.184 507 G HA2 -0.324 3.633 3.960 -0.004 0.000 0.264 507 G HA3 -0.324 3.633 3.960 -0.004 0.000 0.264 507 G C 0.135 175.009 174.900 -0.043 0.000 0.975 507 G CA -0.380 44.745 45.100 0.041 0.000 0.642 507 G HN 0.213 nan 8.290 nan 0.000 0.536 508 F N 0.405 120.532 119.950 0.296 0.000 2.438 508 F HA 0.766 5.290 4.527 -0.005 0.000 0.356 508 F C 0.718 176.560 175.800 0.071 0.000 1.099 508 F CA -0.452 57.652 58.000 0.173 0.000 1.185 508 F CB 1.221 40.329 39.000 0.180 0.000 1.115 508 F HN 0.177 nan 8.300 nan 0.000 0.526 509 I N 2.808 123.412 120.570 0.057 0.000 2.739 509 I HA 0.186 4.353 4.170 -0.004 0.000 0.288 509 I C -1.558 174.476 176.117 -0.140 0.000 1.582 509 I CA -0.802 60.380 61.300 -0.196 0.000 1.035 509 I CB 1.512 39.042 38.000 -0.784 0.000 1.432 509 I HN 0.663 nan 8.210 nan 0.000 0.444 510 D N 6.327 126.664 120.400 -0.105 0.000 2.433 510 D HA 0.199 4.836 4.640 -0.004 0.000 0.255 510 D C 0.858 177.101 176.300 -0.095 0.000 1.226 510 D CA -0.329 53.632 54.000 -0.065 0.000 1.015 510 D CB 0.917 41.696 40.800 -0.035 0.000 1.091 510 D HN 0.549 nan 8.370 nan 0.000 0.527 511 K N -0.546 119.821 120.400 -0.055 0.000 1.977 511 K HA -0.262 4.055 4.320 -0.004 0.000 0.218 511 K C 1.831 178.400 176.600 -0.052 0.000 1.051 511 K CA 1.838 58.096 56.287 -0.048 0.000 0.953 511 K CB -0.177 32.308 32.500 -0.025 0.000 0.727 511 K HN 0.410 nan 8.250 nan 0.000 0.445 512 E N 0.742 120.919 120.200 -0.038 0.000 2.097 512 E HA -0.227 4.121 4.350 -0.004 0.000 0.196 512 E C 2.078 178.657 176.600 -0.034 0.000 1.000 512 E CA 1.615 57.998 56.400 -0.028 0.000 0.804 512 E CB -0.102 29.587 29.700 -0.019 0.000 0.740 512 E HN 0.392 nan 8.360 nan 0.000 0.454 513 Q N -0.439 119.324 119.800 -0.063 0.000 2.084 513 Q HA -0.126 4.211 4.340 -0.004 0.000 0.202 513 Q C 2.194 178.126 176.000 -0.113 0.000 0.978 513 Q CA 1.052 56.806 55.803 -0.082 0.000 0.844 513 Q CB -0.233 28.425 28.738 -0.132 0.000 0.898 513 Q HN 0.214 nan 8.270 nan 0.000 0.426 514 L N 1.530 122.640 121.223 -0.187 0.000 2.056 514 L HA -0.171 4.166 4.340 -0.004 0.000 0.207 514 L C 1.497 178.372 176.870 0.008 0.000 1.078 514 L CA 1.893 56.617 54.840 -0.193 0.000 0.749 514 L CB -0.534 41.381 42.059 -0.241 0.000 0.901 514 L HN 0.097 nan 8.230 nan 0.000 0.433 515 D N -0.201 120.196 120.400 -0.004 0.000 2.104 515 D HA -0.252 4.385 4.640 -0.004 0.000 0.194 515 D C 2.096 178.421 176.300 0.042 0.000 0.994 515 D CA 1.496 55.509 54.000 0.022 0.000 0.830 515 D CB -0.104 40.698 40.800 0.003 0.000 0.959 515 D HN 0.409 nan 8.370 nan 0.000 0.452 516 K N -0.210 120.215 120.400 0.042 0.000 2.063 516 K HA -0.228 4.090 4.320 -0.004 0.000 0.208 516 K C 2.307 178.964 176.600 0.096 0.000 1.048 516 K CA 0.986 57.305 56.287 0.054 0.000 0.928 516 K CB -0.317 32.214 32.500 0.052 0.000 0.713 516 K HN 0.099 nan 8.250 nan 0.000 0.442 517 Y N 1.231 121.534 120.300 0.005 0.000 2.165 517 Y HA -0.254 4.293 4.550 -0.005 0.000 0.286 517 Y C 1.838 177.780 175.900 0.070 0.000 1.155 517 Y CA 1.647 59.787 58.100 0.067 0.000 1.164 517 Y CB -0.311 38.211 38.460 0.103 0.000 0.978 517 Y HN -0.124 nan 8.280 nan 0.000 0.513 518 V N 0.330 120.292 119.914 0.080 0.000 2.307 518 V HA -0.294 3.823 4.120 -0.004 0.000 0.245 518 V C 2.711 178.772 176.094 -0.056 0.000 1.045 518 V CA 1.732 64.025 62.300 -0.011 0.000 1.024 518 V CB -1.641 30.215 31.823 0.055 0.000 0.651 518 V HN 0.552 nan 8.190 nan 0.000 0.449 519 A N 0.446 123.252 122.820 -0.023 0.000 1.940 519 A HA -0.222 4.095 4.320 -0.004 0.000 0.219 519 A C 1.814 179.368 177.584 -0.050 0.000 1.176 519 A CA 1.929 53.949 52.037 -0.027 0.000 0.631 519 A CB -0.629 18.366 19.000 -0.009 0.000 0.814 519 A HN 0.601 nan 8.150 nan 0.000 0.446 520 N N -0.361 118.296 118.700 -0.073 0.000 2.421 520 N HA 0.161 4.898 4.740 -0.004 0.000 0.201 520 N C 0.905 176.332 175.510 -0.140 0.000 1.198 520 N CA 0.966 53.963 53.050 -0.089 0.000 0.838 520 N CB 0.177 38.622 38.487 -0.071 0.000 1.011 520 N HN 0.681 nan 8.380 nan 0.000 0.463 521 G N -0.454 108.257 108.800 -0.147 0.000 2.142 521 G HA2 -0.174 3.784 3.960 -0.004 0.000 0.225 521 G HA3 -0.174 3.784 3.960 -0.004 0.000 0.225 521 G C 0.257 175.019 174.900 -0.230 0.000 1.015 521 G CA -0.102 44.909 45.100 -0.149 0.000 0.716 521 G HN 0.561 nan 8.290 nan 0.000 0.508 522 G N -0.310 108.258 108.800 -0.387 0.000 2.416 522 G HA2 0.616 4.573 3.960 -0.004 0.000 0.329 522 G HA3 0.616 4.573 3.960 -0.004 0.000 0.329 522 G C -0.088 174.729 174.900 -0.140 0.000 1.173 522 G CA -0.793 43.967 45.100 -0.567 0.000 0.929 522 G HN 0.330 nan 8.290 nan 0.000 0.475 523 K N 0.954 121.396 120.400 0.069 0.000 2.298 523 K HA 0.105 4.422 4.320 -0.004 0.000 0.280 523 K C 1.358 178.163 176.600 0.342 0.000 1.032 523 K CA -0.419 55.963 56.287 0.158 0.000 0.958 523 K CB 1.699 34.259 32.500 0.100 0.000 0.978 523 K HN 0.718 nan 8.250 nan 0.000 0.472 524 R N 0.725 121.377 120.500 0.252 0.000 2.357 524 R HA -0.085 4.253 4.340 -0.004 0.000 0.202 524 R C 1.156 177.599 176.300 0.239 0.000 1.047 524 R CA 1.391 57.656 56.100 0.276 0.000 1.034 524 R CB -0.150 30.233 30.300 0.138 0.000 0.875 524 R HN 0.537 nan 8.270 nan 0.000 0.473 525 S N 0.144 115.951 115.700 0.178 0.000 2.501 525 S HA -0.010 4.457 4.470 -0.004 0.000 0.220 525 S C 1.019 175.673 174.600 0.090 0.000 0.997 525 S CA 0.160 58.426 58.200 0.110 0.000 0.919 525 S CB 0.174 63.408 63.200 0.057 0.000 0.778 525 S HN 0.222 nan 8.310 nan 0.000 0.523 526 D N 0.740 121.206 120.400 0.110 0.000 2.351 526 D HA -0.052 4.586 4.640 -0.004 0.000 0.216 526 D C -0.026 176.077 176.300 -0.329 0.000 0.968 526 D CA 0.707 54.656 54.000 -0.085 0.000 0.899 526 D CB -0.215 40.559 40.800 -0.044 0.000 0.907 526 D HN 0.673 nan 8.370 nan 0.000 0.514 527 W N 0.964 122.231 121.300 -0.055 0.000 3.015 527 W HA 0.195 4.854 4.660 -0.002 0.000 0.429 527 W C 0.040 176.513 176.519 -0.076 0.000 0.976 527 W CA -0.277 57.008 57.345 -0.100 0.000 2.086 527 W CB 0.212 29.587 29.460 -0.141 0.000 1.125 527 W HN -0.370 nan 8.180 nan 0.000 0.721 528 T N 1.094 115.694 114.554 0.076 0.000 2.779 528 T HA 0.410 4.757 4.350 -0.004 0.000 0.280 528 T C -0.322 174.395 174.700 0.028 0.000 0.987 528 T CA -0.416 61.717 62.100 0.055 0.000 0.966 528 T CB 1.972 70.878 68.868 0.064 0.000 0.933 528 T HN -0.400 nan 8.240 nan 0.000 0.442 529 V N 5.155 125.085 119.914 0.027 0.000 2.318 529 V HA 0.287 4.404 4.120 -0.004 0.000 0.271 529 V C 0.493 176.649 176.094 0.103 0.000 1.030 529 V CA -0.963 61.371 62.300 0.057 0.000 0.844 529 V CB 0.574 32.437 31.823 0.067 0.000 1.015 529 V HN 0.744 nan 8.190 nan 0.000 0.460 530 K N 3.887 124.356 120.400 0.115 0.000 2.382 530 K HA 0.292 4.610 4.320 -0.004 0.000 0.275 530 K C -0.701 176.024 176.600 0.209 0.000 1.009 530 K CA 0.025 56.411 56.287 0.166 0.000 0.970 530 K CB 0.594 33.160 32.500 0.109 0.000 0.934 530 K HN 0.460 nan 8.250 nan 0.000 0.479 531 F N 1.230 121.181 119.950 0.002 0.000 2.492 531 F HA 0.548 5.073 4.527 -0.004 0.000 0.327 531 F C -0.469 175.259 175.800 -0.119 0.000 1.079 531 F CA -0.727 57.200 58.000 -0.123 0.000 0.967 531 F CB 1.522 40.348 39.000 -0.291 0.000 1.169 531 F HN 0.577 nan 8.300 nan 0.000 0.472 532 A N 4.039 126.471 122.820 -0.646 0.000 2.539 532 A HA 0.644 4.962 4.320 -0.004 0.000 0.296 532 A C -1.356 175.946 177.584 -0.470 0.000 1.073 532 A CA -0.863 50.873 52.037 -0.502 0.000 0.700 532 A CB 1.313 19.849 19.000 -0.774 0.000 1.296 532 A HN 0.742 nan 8.150 nan 0.000 0.405 533 E N 1.310 121.428 120.200 -0.136 0.000 2.248 533 E HA 0.540 4.888 4.350 -0.004 0.000 0.272 533 E C -1.083 175.478 176.600 -0.065 0.000 1.008 533 E CA -1.040 55.289 56.400 -0.119 0.000 0.856 533 E CB 1.057 30.727 29.700 -0.050 0.000 1.120 533 E HN 0.470 nan 8.360 nan 0.000 0.397 534 N N 1.913 120.509 118.700 -0.174 0.000 2.407 534 N HA 0.328 5.065 4.740 -0.004 0.000 0.277 534 N C -0.953 174.474 175.510 -0.138 0.000 0.995 534 N CA -0.591 52.411 53.050 -0.081 0.000 0.903 534 N CB 1.718 40.147 38.487 -0.096 0.000 1.218 534 N HN 0.377 nan 8.380 nan 0.000 0.487 535 R N 0.087 120.526 120.500 -0.101 0.000 2.740 535 R HA 0.475 4.813 4.340 -0.004 0.000 0.282 535 R C 0.452 176.703 176.300 -0.082 0.000 0.969 535 R CA -0.724 55.321 56.100 -0.091 0.000 0.918 535 R CB 1.658 31.918 30.300 -0.066 0.000 1.175 535 R HN 0.655 nan 8.270 nan 0.000 0.464 536 S N 0.607 116.266 115.700 -0.067 0.000 2.625 536 S HA -0.041 4.426 4.470 -0.004 0.000 0.262 536 S C 1.169 175.742 174.600 -0.046 0.000 1.223 536 S CA -0.392 57.775 58.200 -0.055 0.000 0.993 536 S CB 0.772 63.948 63.200 -0.040 0.000 1.051 536 S HN 0.711 nan 8.310 nan 0.000 0.562 537 Q N 1.308 121.086 119.800 -0.037 0.000 2.061 537 Q HA -0.187 4.150 4.340 -0.004 0.000 0.204 537 Q C 1.246 177.232 176.000 -0.023 0.000 0.984 537 Q CA 2.467 58.252 55.803 -0.030 0.000 0.846 537 Q CB -0.888 27.836 28.738 -0.023 0.000 0.902 537 Q HN 0.912 nan 8.270 nan 0.000 0.421 538 D N -1.536 118.853 120.400 -0.019 0.000 2.352 538 D HA 0.084 4.721 4.640 -0.004 0.000 0.232 538 D C 0.960 177.251 176.300 -0.014 0.000 1.055 538 D CA 0.800 54.791 54.000 -0.013 0.000 0.891 538 D CB -0.454 40.341 40.800 -0.009 0.000 0.897 538 D HN 0.517 nan 8.370 nan 0.000 0.529 539 G N -0.695 108.092 108.800 -0.021 0.000 2.159 539 G HA2 -0.276 3.681 3.960 -0.004 0.000 0.256 539 G HA3 -0.276 3.681 3.960 -0.004 0.000 0.256 539 G C 0.394 175.279 174.900 -0.025 0.000 0.977 539 G CA 0.283 45.370 45.100 -0.021 0.000 0.652 539 G HN 0.466 nan 8.290 nan 0.000 0.531 540 T N 1.107 115.644 114.554 -0.028 0.000 2.916 540 T HA 0.364 4.712 4.350 -0.004 0.000 0.303 540 T C 0.480 175.146 174.700 -0.056 0.000 1.025 540 T CA 0.069 62.150 62.100 -0.031 0.000 1.142 540 T CB 1.426 70.279 68.868 -0.024 0.000 0.947 540 T HN 0.602 nan 8.240 nan 0.000 0.544 541 L N 5.383 126.568 121.223 -0.064 0.000 2.407 541 L HA 0.240 4.577 4.340 -0.004 0.000 0.282 541 L C 0.731 177.522 176.870 -0.132 0.000 1.110 541 L CA 0.275 55.043 54.840 -0.120 0.000 0.863 541 L CB -0.419 41.571 42.059 -0.115 0.000 1.207 541 L HN 0.701 nan 8.230 nan 0.000 0.454 542 L N 4.781 125.910 121.223 -0.157 0.000 2.270 542 L HA 0.371 4.708 4.340 -0.004 0.000 0.210 542 L C 1.253 178.022 176.870 -0.168 0.000 1.104 542 L CA 0.646 55.408 54.840 -0.130 0.000 0.804 542 L CB -0.466 41.515 42.059 -0.130 0.000 0.937 542 L HN 0.890 nan 8.230 nan 0.000 0.450 543 G N -2.243 106.368 108.800 -0.315 0.000 2.441 543 G HA2 0.126 4.084 3.960 -0.004 0.000 0.222 543 G HA3 0.126 4.084 3.960 -0.004 0.000 0.222 543 G C -1.941 172.524 174.900 -0.725 0.000 1.254 543 G CA -0.722 44.145 45.100 -0.388 0.000 0.959 543 G HN -0.160 nan 8.290 nan 0.000 0.474 544 Y N -0.597 119.657 120.300 -0.078 0.000 2.669 544 Y HA 0.846 5.394 4.550 -0.004 0.000 0.335 544 Y C 0.350 176.070 175.900 -0.300 0.000 1.116 544 Y CA -0.710 57.214 58.100 -0.292 0.000 1.081 544 Y CB 2.408 40.653 38.460 -0.360 0.000 1.297 544 Y HN 0.651 nan 8.280 nan 0.000 0.484 545 S N 0.603 116.063 115.700 -0.400 0.000 2.535 545 S HA 0.530 4.997 4.470 -0.004 0.000 0.272 545 S C -1.478 172.935 174.600 -0.313 0.000 1.149 545 S CA -0.871 57.197 58.200 -0.221 0.000 0.888 545 S CB 1.119 64.238 63.200 -0.134 0.000 1.110 545 S HN 0.477 nan 8.310 nan 0.000 0.463 546 L N 2.467 123.715 121.223 0.042 0.000 2.397 546 L HA 0.356 4.693 4.340 -0.004 0.000 0.271 546 L C 0.358 177.249 176.870 0.035 0.000 1.148 546 L CA -0.405 54.537 54.840 0.168 0.000 0.825 546 L CB 0.184 42.400 42.059 0.262 0.000 1.117 546 L HN 0.568 nan 8.230 nan 0.000 0.456 547 L N 3.805 125.040 121.223 0.021 0.000 2.803 547 L HA 0.131 4.469 4.340 -0.004 0.000 0.241 547 L C 0.112 177.016 176.870 0.056 0.000 1.404 547 L CA 0.490 55.325 54.840 -0.009 0.000 1.211 547 L CB -0.620 41.432 42.059 -0.012 0.000 1.585 547 L HN 0.664 nan 8.230 nan 0.000 0.430 548 Q N 0.820 120.672 119.800 0.087 0.000 2.295 548 Q HA 0.277 4.615 4.340 -0.004 0.000 0.268 548 Q C -1.207 174.864 176.000 0.119 0.000 1.010 548 Q CA -0.592 55.280 55.803 0.115 0.000 0.856 548 Q CB 2.066 30.906 28.738 0.170 0.000 1.349 548 Q HN 0.294 nan 8.270 nan 0.000 0.412 549 E N 1.716 121.972 120.200 0.094 0.000 2.134 549 E HA 0.343 4.690 4.350 -0.004 0.000 0.278 549 E C -0.944 175.696 176.600 0.067 0.000 0.959 549 E CA -0.441 55.993 56.400 0.057 0.000 0.783 549 E CB 1.748 31.486 29.700 0.063 0.000 1.095 549 E HN 0.405 nan 8.360 nan 0.000 0.399 550 S N 1.828 117.551 115.700 0.038 0.000 2.545 550 S HA 0.004 4.471 4.470 -0.004 0.000 0.275 550 S C 1.063 175.632 174.600 -0.051 0.000 1.299 550 S CA -0.583 57.654 58.200 0.062 0.000 1.048 550 S CB 1.777 65.126 63.200 0.248 0.000 0.938 550 S HN 0.488 nan 8.310 nan 0.000 0.496 551 V N 3.090 122.968 119.914 -0.060 0.000 2.358 551 V HA -0.156 3.961 4.120 -0.004 0.000 0.246 551 V C 2.114 178.039 176.094 -0.282 0.000 1.047 551 V CA 2.453 64.663 62.300 -0.149 0.000 1.035 551 V CB -0.585 31.148 31.823 -0.151 0.000 0.658 551 V HN 1.030 nan 8.190 nan 0.000 0.452 552 D N -0.566 119.666 120.400 -0.281 0.000 2.097 552 D HA -0.306 4.331 4.640 -0.004 0.000 0.195 552 D C 2.040 177.975 176.300 -0.609 0.000 0.989 552 D CA 1.843 55.538 54.000 -0.508 0.000 0.827 552 D CB -0.638 39.965 40.800 -0.330 0.000 0.966 552 D HN 0.563 nan 8.370 nan 0.000 0.456 553 Q N 1.520 121.152 119.800 -0.279 0.000 2.077 553 Q HA -0.127 4.211 4.340 -0.004 0.000 0.206 553 Q C 2.204 178.002 176.000 -0.337 0.000 0.989 553 Q CA 2.799 58.394 55.803 -0.348 0.000 0.853 553 Q CB -0.811 27.485 28.738 -0.737 0.000 0.907 553 Q HN 0.335 nan 8.270 nan 0.000 0.418 554 A N -0.603 122.044 122.820 -0.289 0.000 1.972 554 A HA -0.136 4.182 4.320 -0.004 0.000 0.219 554 A C 2.322 179.790 177.584 -0.193 0.000 1.169 554 A CA 1.733 53.639 52.037 -0.219 0.000 0.635 554 A CB -0.679 18.234 19.000 -0.146 0.000 0.810 554 A HN 0.443 nan 8.150 nan 0.000 0.446 555 S N -1.252 114.268 115.700 -0.299 0.000 2.402 555 S HA -0.086 4.381 4.470 -0.004 0.000 0.229 555 S C 1.739 176.257 174.600 -0.136 0.000 1.021 555 S CA 1.225 59.254 58.200 -0.287 0.000 0.974 555 S CB -0.465 62.457 63.200 -0.463 0.000 0.800 555 S HN 0.677 nan 8.310 nan 0.000 0.484 556 Y N 1.152 121.386 120.300 -0.110 0.000 2.314 556 Y HA 0.131 4.678 4.550 -0.004 0.000 0.293 556 Y C 2.376 178.191 175.900 -0.141 0.000 1.129 556 Y CA 0.163 58.200 58.100 -0.107 0.000 1.201 556 Y CB -0.616 37.769 38.460 -0.125 0.000 0.999 556 Y HN 0.193 nan 8.280 nan 0.000 0.541 557 M N -1.458 118.100 119.600 -0.070 0.000 2.159 557 M HA -0.239 4.238 4.480 -0.004 0.000 0.263 557 M C 2.089 178.370 176.300 -0.033 0.000 1.063 557 M CA 1.450 56.659 55.300 -0.153 0.000 1.110 557 M CB -1.473 30.991 32.600 -0.228 0.000 1.374 557 M HN 0.395 nan 8.290 nan 0.000 0.411 558 Y N 0.800 121.045 120.300 -0.093 0.000 2.145 558 Y HA -0.249 4.298 4.550 -0.004 0.000 0.286 558 Y C 2.894 178.785 175.900 -0.016 0.000 1.145 558 Y CA 2.303 60.366 58.100 -0.061 0.000 1.148 558 Y CB -0.530 37.863 38.460 -0.111 0.000 0.981 558 Y HN 0.257 nan 8.280 nan 0.000 0.507 559 S N -0.306 115.436 115.700 0.069 0.000 2.359 559 S HA -0.275 4.192 4.470 -0.004 0.000 0.224 559 S C 1.927 176.607 174.600 0.133 0.000 1.035 559 S CA 2.031 60.284 58.200 0.089 0.000 1.018 559 S CB -0.850 62.491 63.200 0.235 0.000 0.876 559 S HN 0.725 nan 8.310 nan 0.000 0.448 560 D N 1.014 121.465 120.400 0.084 0.000 2.104 560 D HA -0.112 4.525 4.640 -0.004 0.000 0.194 560 D C 2.019 178.307 176.300 -0.020 0.000 0.994 560 D CA 1.549 55.585 54.000 0.059 0.000 0.830 560 D CB -0.428 40.369 40.800 -0.004 0.000 0.959 560 D HN 0.435 nan 8.370 nan 0.000 0.452 561 N N -0.937 117.731 118.700 -0.053 0.000 2.142 561 N HA -0.189 4.548 4.740 -0.004 0.000 0.186 561 N C 1.779 177.191 175.510 -0.164 0.000 1.023 561 N CA 1.129 54.124 53.050 -0.091 0.000 0.852 561 N CB -0.534 37.959 38.487 0.010 0.000 0.998 561 N HN 0.442 nan 8.380 nan 0.000 0.424 562 H N 0.164 119.004 119.070 -0.384 0.000 2.319 562 H HA -0.128 4.425 4.556 -0.004 0.000 0.299 562 H C 1.567 176.697 175.328 -0.330 0.000 1.092 562 H CA 1.842 57.614 56.048 -0.459 0.000 1.302 562 H CB -0.282 29.043 29.762 -0.729 0.000 1.373 562 H HN 0.190 nan 8.280 nan 0.000 0.497 563 Y N -0.036 120.141 120.300 -0.204 0.000 2.263 563 Y HA -0.054 4.493 4.550 -0.004 0.000 0.292 563 Y C 2.621 178.406 175.900 -0.192 0.000 1.130 563 Y CA 0.955 58.941 58.100 -0.190 0.000 1.179 563 Y CB -0.382 38.079 38.460 0.002 0.000 0.998 563 Y HN 0.193 nan 8.280 nan 0.000 0.532 564 L N -0.963 120.200 121.223 -0.099 0.000 2.083 564 L HA -0.248 4.089 4.340 -0.004 0.000 0.209 564 L C 2.601 179.434 176.870 -0.061 0.000 1.083 564 L CA 1.069 55.782 54.840 -0.212 0.000 0.752 564 L CB -0.714 40.855 42.059 -0.816 0.000 0.899 564 L HN 0.238 nan 8.230 nan 0.000 0.433 565 A N -0.114 122.655 122.820 -0.085 0.000 1.877 565 A HA -0.229 4.088 4.320 -0.004 0.000 0.216 565 A C 2.151 179.695 177.584 -0.067 0.000 1.186 565 A CA 1.678 53.719 52.037 0.007 0.000 0.620 565 A CB -0.423 18.545 19.000 -0.054 0.000 0.822 565 A HN 0.442 nan 8.150 nan 0.000 0.443 566 E N -0.695 119.410 120.200 -0.158 0.000 2.077 566 E HA -0.186 4.161 4.350 -0.004 0.000 0.193 566 E C 2.112 178.641 176.600 -0.117 0.000 0.989 566 E CA 1.473 57.792 56.400 -0.136 0.000 0.800 566 E CB -0.282 29.336 29.700 -0.136 0.000 0.746 566 E HN 0.664 nan 8.360 nan 0.000 0.452 567 M N 0.386 119.924 119.600 -0.103 0.000 2.159 567 M HA -0.134 4.344 4.480 -0.004 0.000 0.263 567 M C 2.503 178.623 176.300 -0.301 0.000 1.063 567 M CA 1.273 56.461 55.300 -0.188 0.000 1.110 567 M CB -0.227 32.335 32.600 -0.063 0.000 1.374 567 M HN 0.116 nan 8.290 nan 0.000 0.411 568 A N -0.031 122.667 122.820 -0.203 0.000 1.908 568 A HA -0.167 4.150 4.320 -0.004 0.000 0.218 568 A C 2.189 179.650 177.584 -0.206 0.000 1.181 568 A CA 2.335 54.218 52.037 -0.257 0.000 0.627 568 A CB -1.167 17.842 19.000 0.015 0.000 0.818 568 A HN 0.455 nan 8.150 nan 0.000 0.445 569 T N 0.379 114.851 114.554 -0.137 0.000 2.821 569 T HA -0.061 4.287 4.350 -0.004 0.000 0.267 569 T C 1.769 176.391 174.700 -0.130 0.000 1.046 569 T CA 1.249 63.284 62.100 -0.109 0.000 1.139 569 T CB -0.253 68.570 68.868 -0.075 0.000 0.871 569 T HN 0.328 nan 8.240 nan 0.000 0.454 570 I N 1.258 121.724 120.570 -0.174 0.000 2.226 570 I HA -0.041 4.127 4.170 -0.004 0.000 0.245 570 I C 1.951 177.950 176.117 -0.195 0.000 1.100 570 I CA 1.385 62.572 61.300 -0.189 0.000 1.374 570 I CB -1.130 36.672 38.000 -0.331 0.000 1.057 570 I HN 0.289 nan 8.210 nan 0.000 0.413 571 L N 0.564 121.628 121.223 -0.265 0.000 2.612 571 L HA 0.194 4.532 4.340 -0.004 0.000 0.230 571 L C 1.254 178.007 176.870 -0.195 0.000 1.140 571 L CA 0.319 55.003 54.840 -0.261 0.000 0.896 571 L CB -0.654 41.160 42.059 -0.408 0.000 1.065 571 L HN 0.471 nan 8.230 nan 0.000 0.447 572 G N 1.214 109.922 108.800 -0.154 0.000 2.221 572 G HA2 -0.310 3.647 3.960 -0.004 0.000 0.265 572 G HA3 -0.310 3.647 3.960 -0.004 0.000 0.265 572 G C 0.249 175.083 174.900 -0.110 0.000 1.041 572 G CA 0.107 45.141 45.100 -0.110 0.000 0.807 572 G HN 0.470 nan 8.290 nan 0.000 0.502 573 K N 0.471 120.789 120.400 -0.136 0.000 2.655 573 K HA 0.243 4.561 4.320 -0.004 0.000 0.213 573 K C -1.017 175.539 176.600 -0.075 0.000 1.126 573 K CA -1.456 54.765 56.287 -0.109 0.000 1.076 573 K CB 1.625 34.038 32.500 -0.146 0.000 1.644 573 K HN 0.180 nan 8.250 nan 0.000 0.523 574 P HA -0.247 nan 4.420 nan 0.000 0.216 574 P C 0.703 177.976 177.300 -0.044 0.000 1.157 574 P CA 1.473 64.545 63.100 -0.048 0.000 0.880 574 P CB 0.415 32.090 31.700 -0.042 0.000 0.791 575 E N 0.215 120.386 120.200 -0.047 0.000 2.150 575 E HA -0.152 4.195 4.350 -0.004 0.000 0.193 575 E C 2.088 178.641 176.600 -0.080 0.000 0.985 575 E CA 0.974 57.340 56.400 -0.056 0.000 0.814 575 E CB -0.414 29.255 29.700 -0.052 0.000 0.752 575 E HN 0.520 nan 8.360 nan 0.000 0.466 576 E N 0.613 120.772 120.200 -0.069 0.000 2.152 576 E HA -0.076 4.272 4.350 -0.004 0.000 0.192 576 E C 2.036 178.589 176.600 -0.078 0.000 0.983 576 E CA 0.759 57.096 56.400 -0.104 0.000 0.818 576 E CB -0.034 29.687 29.700 0.034 0.000 0.758 576 E HN 0.169 nan 8.360 nan 0.000 0.467 577 A N 2.056 124.883 122.820 0.010 0.000 1.877 577 A HA -0.231 4.086 4.320 -0.004 0.000 0.216 577 A C 1.975 179.566 177.584 0.012 0.000 1.186 577 A CA 1.458 53.530 52.037 0.058 0.000 0.620 577 A CB -0.310 18.693 19.000 0.005 0.000 0.822 577 A HN 0.043 nan 8.150 nan 0.000 0.443 578 K N -0.604 119.777 120.400 -0.033 0.000 2.063 578 K HA -0.178 4.139 4.320 -0.004 0.000 0.208 578 K C 2.353 178.918 176.600 -0.058 0.000 1.048 578 K CA 1.581 57.846 56.287 -0.037 0.000 0.928 578 K CB -0.235 32.240 32.500 -0.042 0.000 0.713 578 K HN 0.400 nan 8.250 nan 0.000 0.442 579 R N 0.001 120.420 120.500 -0.135 0.000 2.088 579 R HA -0.156 4.182 4.340 -0.004 0.000 0.232 579 R C 2.389 178.607 176.300 -0.137 0.000 1.136 579 R CA 1.843 57.829 56.100 -0.190 0.000 0.926 579 R CB -0.563 29.526 30.300 -0.352 0.000 0.837 579 R HN 0.220 nan 8.270 nan 0.000 0.429 580 Y N 0.627 120.900 120.300 -0.045 0.000 2.193 580 Y HA -0.246 4.302 4.550 -0.004 0.000 0.285 580 Y C 2.518 178.387 175.900 -0.052 0.000 1.166 580 Y CA 1.299 59.365 58.100 -0.057 0.000 1.181 580 Y CB -0.570 37.836 38.460 -0.090 0.000 0.976 580 Y HN 0.084 nan 8.280 nan 0.000 0.520 581 R N 0.281 120.837 120.500 0.094 0.000 2.083 581 R HA -0.252 4.085 4.340 -0.004 0.000 0.237 581 R C 2.365 178.688 176.300 0.038 0.000 1.137 581 R CA 1.961 58.083 56.100 0.037 0.000 0.951 581 R CB -0.318 29.994 30.300 0.021 0.000 0.851 581 R HN 0.477 nan 8.270 nan 0.000 0.434 582 Q N 0.270 120.088 119.800 0.030 0.000 2.119 582 Q HA -0.115 4.222 4.340 -0.004 0.000 0.201 582 Q C 2.142 178.173 176.000 0.052 0.000 0.972 582 Q CA 1.145 56.968 55.803 0.034 0.000 0.847 582 Q CB 0.027 28.773 28.738 0.012 0.000 0.903 582 Q HN 0.415 nan 8.270 nan 0.000 0.433 583 L N 0.156 121.416 121.223 0.062 0.000 2.131 583 L HA -0.159 4.178 4.340 -0.004 0.000 0.210 583 L C 2.499 179.421 176.870 0.087 0.000 1.092 583 L CA 0.921 55.813 54.840 0.087 0.000 0.759 583 L CB -0.530 41.623 42.059 0.157 0.000 0.903 583 L HN 0.291 nan 8.230 nan 0.000 0.435 584 A N -0.360 122.495 122.820 0.058 0.000 1.854 584 A HA -0.210 4.107 4.320 -0.004 0.000 0.214 584 A C 2.196 179.910 177.584 0.217 0.000 1.192 584 A CA 1.209 53.244 52.037 -0.003 0.000 0.611 584 A CB -0.460 18.391 19.000 -0.248 0.000 0.832 584 A HN 0.429 nan 8.150 nan 0.000 0.442 585 Q N -0.514 119.386 119.800 0.166 0.000 2.234 585 Q HA -0.225 4.112 4.340 -0.004 0.000 0.206 585 Q C 2.208 178.293 176.000 0.141 0.000 0.980 585 Q CA 1.539 57.449 55.803 0.177 0.000 0.869 585 Q CB -0.195 28.607 28.738 0.108 0.000 0.912 585 Q HN 0.758 nan 8.270 nan 0.000 0.436 586 Q N 0.231 120.103 119.800 0.120 0.000 2.083 586 Q HA -0.064 4.274 4.340 -0.004 0.000 0.198 586 Q C 2.150 178.227 176.000 0.129 0.000 0.969 586 Q CA 0.773 56.639 55.803 0.105 0.000 0.838 586 Q CB 0.029 28.811 28.738 0.073 0.000 0.900 586 Q HN 0.365 nan 8.270 nan 0.000 0.436 587 L N 0.325 121.627 121.223 0.131 0.000 2.131 587 L HA -0.174 4.163 4.340 -0.004 0.000 0.210 587 L C 2.447 179.390 176.870 0.122 0.000 1.092 587 L CA 0.905 55.814 54.840 0.115 0.000 0.759 587 L CB -0.452 41.678 42.059 0.118 0.000 0.903 587 L HN 0.211 nan 8.230 nan 0.000 0.435 588 A N -0.254 122.641 122.820 0.124 0.000 1.898 588 A HA -0.218 4.100 4.320 -0.004 0.000 0.216 588 A C 1.930 179.511 177.584 -0.005 0.000 1.181 588 A CA 1.886 53.886 52.037 -0.062 0.000 0.620 588 A CB -0.453 18.503 19.000 -0.074 0.000 0.819 588 A HN 0.345 nan 8.150 nan 0.000 0.442 589 D N -1.818 118.619 120.400 0.061 0.000 2.144 589 D HA -0.128 4.509 4.640 -0.004 0.000 0.200 589 D C 1.645 177.992 176.300 0.079 0.000 0.978 589 D CA 1.273 55.306 54.000 0.056 0.000 0.833 589 D CB -0.373 40.466 40.800 0.065 0.000 0.961 589 D HN 0.622 nan 8.370 nan 0.000 0.470 590 Y N 1.276 121.576 120.300 0.000 0.000 2.163 590 Y HA -0.176 4.371 4.550 -0.004 0.000 0.288 590 Y C 2.230 178.134 175.900 0.007 0.000 1.136 590 Y CA 1.058 59.161 58.100 0.004 0.000 1.147 590 Y CB -0.044 38.414 38.460 -0.003 0.000 0.987 590 Y HN -0.155 nan 8.280 nan 0.000 0.509 591 I N 0.703 121.378 120.570 0.175 0.000 2.127 591 I HA -0.377 3.790 4.170 -0.004 0.000 0.241 591 I C 1.715 177.912 176.117 0.135 0.000 1.075 591 I CA 2.007 63.355 61.300 0.079 0.000 1.334 591 I CB -1.469 36.467 38.000 -0.108 0.000 1.040 591 I HN 0.388 nan 8.210 nan 0.000 0.405 592 N N -0.485 118.271 118.700 0.094 0.000 2.244 592 N HA -0.115 4.623 4.740 -0.004 0.000 0.183 592 N C 1.613 177.172 175.510 0.082 0.000 1.016 592 N CA 1.539 54.661 53.050 0.120 0.000 0.866 592 N CB 0.012 38.499 38.487 -0.000 0.000 0.980 592 N HN 0.334 nan 8.380 nan 0.000 0.430 593 T N -0.767 113.790 114.554 0.006 0.000 2.901 593 T HA 0.013 4.361 4.350 -0.004 0.000 0.252 593 T C 1.986 176.634 174.700 -0.088 0.000 1.035 593 T CA 0.616 62.690 62.100 -0.043 0.000 1.142 593 T CB -0.139 68.671 68.868 -0.095 0.000 0.869 593 T HN 0.351 nan 8.240 nan 0.000 0.442 594 c N 0.836 119.310 118.600 -0.211 0.000 2.504 594 c HA 0.321 4.889 4.570 -0.004 0.000 0.279 594 c C 2.538 176.596 174.090 -0.053 0.000 1.358 594 c CA 0.113 56.291 56.329 -0.252 0.000 1.747 594 c CB -0.876 41.222 42.510 -0.686 0.000 2.037 594 c HN 0.509 nan 8.230 nan 0.000 0.503 595 M N -0.965 118.678 119.600 0.071 0.000 2.465 595 M HA 0.219 4.696 4.480 -0.004 0.000 0.249 595 M C 0.246 176.722 176.300 0.292 0.000 1.130 595 M CA 0.301 55.719 55.300 0.197 0.000 1.067 595 M CB 0.195 32.923 32.600 0.213 0.000 1.394 595 M HN 0.224 nan 8.290 nan 0.000 0.483 596 F N 1.826 121.808 119.950 0.054 0.000 2.410 596 F HA 0.285 4.810 4.527 -0.004 0.000 0.348 596 F C -0.225 175.518 175.800 -0.095 0.000 1.106 596 F CA -1.054 56.798 58.000 -0.247 0.000 1.163 596 F CB 0.536 39.249 39.000 -0.479 0.000 1.129 596 F HN -0.111 nan 8.300 nan 0.000 0.516 597 D N 8.078 127.945 120.400 -0.888 0.000 2.441 597 D HA 0.387 5.025 4.640 -0.004 0.000 0.231 597 D C -2.114 173.642 176.300 -0.908 0.000 1.073 597 D CA -2.343 51.309 54.000 -0.581 0.000 0.850 597 D CB 1.810 42.531 40.800 -0.132 0.000 1.062 597 D HN 0.195 nan 8.370 nan 0.000 0.524 598 P HA -0.151 nan 4.420 nan 0.000 0.216 598 P C 1.221 178.420 177.300 -0.167 0.000 1.153 598 P CA 1.209 64.146 63.100 -0.272 0.000 0.858 598 P CB 0.262 31.946 31.700 -0.027 0.000 0.789 599 T N -1.031 113.440 114.554 -0.139 0.000 2.684 599 T HA -0.131 4.216 4.350 -0.004 0.000 0.267 599 T C 1.618 176.287 174.700 -0.052 0.000 1.036 599 T CA 2.254 64.309 62.100 -0.075 0.000 1.148 599 T CB -1.145 67.681 68.868 -0.070 0.000 0.863 599 T HN 0.324 nan 8.240 nan 0.000 0.436 600 T N -0.771 113.752 114.554 -0.051 0.000 3.122 600 T HA 0.126 4.473 4.350 -0.004 0.000 0.250 600 T C 0.534 175.263 174.700 0.049 0.000 1.067 600 T CA -0.125 61.995 62.100 0.033 0.000 0.966 600 T CB -0.040 68.911 68.868 0.138 0.000 1.002 600 T HN 0.257 nan 8.240 nan 0.000 0.542 601 Q N -0.107 119.646 119.800 -0.079 0.000 2.457 601 Q HA -0.166 4.172 4.340 -0.004 0.000 0.283 601 Q C -0.693 175.383 176.000 0.126 0.000 1.234 601 Q CA 0.700 56.491 55.803 -0.020 0.000 0.877 601 Q CB -2.043 26.777 28.738 0.137 0.000 1.250 601 Q HN 0.679 nan 8.270 nan 0.000 0.481 602 F N -1.198 118.551 119.950 -0.334 0.000 2.650 602 F HA 0.541 5.066 4.527 -0.004 0.000 0.320 602 F C -0.503 174.996 175.800 -0.502 0.000 1.091 602 F CA -1.340 56.478 58.000 -0.303 0.000 0.962 602 F CB 1.150 39.954 39.000 -0.328 0.000 1.363 602 F HN -0.082 nan 8.300 nan 0.000 0.482 603 Y N 1.401 121.281 120.300 -0.700 0.000 2.387 603 Y HA 0.568 5.115 4.550 -0.004 0.000 0.330 603 Y C -0.967 174.561 175.900 -0.619 0.000 1.133 603 Y CA -0.377 57.459 58.100 -0.441 0.000 1.152 603 Y CB 1.142 39.365 38.460 -0.396 0.000 1.215 603 Y HN 0.373 nan 8.280 nan 0.000 0.466 604 Y N -0.610 119.758 120.300 0.112 0.000 2.644 604 Y HA 0.301 4.849 4.550 -0.004 0.000 0.338 604 Y C -0.572 175.337 175.900 0.014 0.000 1.119 604 Y CA -1.551 56.580 58.100 0.053 0.000 1.060 604 Y CB 1.048 39.527 38.460 0.032 0.000 1.294 604 Y HN 0.425 nan 8.280 nan 0.000 0.472 605 D N 0.742 121.240 120.400 0.164 0.000 2.344 605 D HA 0.447 5.084 4.640 -0.004 0.000 0.244 605 D C -0.909 175.439 176.300 0.081 0.000 1.134 605 D CA 0.101 54.148 54.000 0.078 0.000 0.930 605 D CB 1.285 42.094 40.800 0.015 0.000 1.175 605 D HN 0.383 nan 8.370 nan 0.000 0.437 606 V N -1.219 118.740 119.914 0.075 0.000 2.656 606 V HA 0.604 4.722 4.120 -0.004 0.000 0.307 606 V C -0.100 176.028 176.094 0.056 0.000 1.051 606 V CA -1.087 61.247 62.300 0.056 0.000 0.893 606 V CB 1.829 33.695 31.823 0.072 0.000 0.999 606 V HN 0.350 nan 8.190 nan 0.000 0.426 607 R N 3.024 123.542 120.500 0.029 0.000 2.582 607 R HA 0.557 4.895 4.340 -0.004 0.000 0.271 607 R C -0.383 175.947 176.300 0.050 0.000 1.078 607 R CA -0.525 55.595 56.100 0.035 0.000 1.127 607 R CB 1.224 31.530 30.300 0.009 0.000 1.038 607 R HN 0.744 nan 8.270 nan 0.000 0.500 608 I N 3.174 123.778 120.570 0.056 0.000 2.268 608 I HA 0.060 4.227 4.170 -0.004 0.000 0.290 608 I C 0.301 176.450 176.117 0.053 0.000 1.125 608 I CA 0.019 61.359 61.300 0.066 0.000 1.236 608 I CB 0.229 38.275 38.000 0.076 0.000 1.469 608 I HN 0.453 nan 8.210 nan 0.000 0.512 609 E N 4.100 124.325 120.200 0.042 0.000 2.392 609 E HA 0.002 4.349 4.350 -0.004 0.000 0.256 609 E C 0.544 177.165 176.600 0.035 0.000 1.145 609 E CA -0.573 55.845 56.400 0.030 0.000 0.929 609 E CB 0.984 30.694 29.700 0.016 0.000 0.998 609 E HN 0.420 nan 8.360 nan 0.000 0.442 610 D N 1.034 121.451 120.400 0.028 0.000 2.191 610 D HA -0.177 4.461 4.640 -0.004 0.000 0.195 610 D C 0.226 176.542 176.300 0.027 0.000 1.003 610 D CA 1.669 55.686 54.000 0.029 0.000 0.867 610 D CB 0.055 40.867 40.800 0.020 0.000 0.926 610 D HN 0.366 nan 8.370 nan 0.000 0.450 611 K N 0.530 120.943 120.400 0.022 0.000 2.482 611 K HA 0.455 4.773 4.320 -0.004 0.000 0.251 611 K C -2.985 173.627 176.600 0.020 0.000 0.936 611 K CA -1.768 54.530 56.287 0.019 0.000 0.791 611 K CB 2.540 35.047 32.500 0.011 0.000 1.213 611 K HN -0.262 nan 8.250 nan 0.000 0.428 612 P HA 0.067 nan 4.420 nan 0.000 0.271 612 P C -0.093 177.217 177.300 0.016 0.000 1.226 612 P CA -0.283 62.835 63.100 0.030 0.000 0.765 612 P CB 0.608 32.332 31.700 0.041 0.000 0.835 613 L N 2.432 123.659 121.223 0.007 0.000 2.543 613 L HA -0.064 4.273 4.340 -0.004 0.000 0.285 613 L C 2.128 178.995 176.870 -0.005 0.000 1.236 613 L CA -0.214 54.621 54.840 -0.008 0.000 0.871 613 L CB -0.305 41.738 42.059 -0.026 0.000 1.121 613 L HN 0.442 nan 8.230 nan 0.000 0.501 614 A N 3.374 126.190 122.820 -0.006 0.000 1.971 614 A HA -0.277 4.041 4.320 -0.004 0.000 0.222 614 A C 1.822 179.404 177.584 -0.004 0.000 1.182 614 A CA 2.368 54.403 52.037 -0.004 0.000 0.649 614 A CB -0.845 18.151 19.000 -0.006 0.000 0.818 614 A HN 1.010 nan 8.150 nan 0.000 0.458 615 N N -1.414 117.277 118.700 -0.014 0.000 2.550 615 N HA 0.240 4.978 4.740 -0.004 0.000 0.186 615 N C 1.046 176.551 175.510 -0.008 0.000 1.110 615 N CA 1.531 54.570 53.050 -0.017 0.000 0.912 615 N CB -0.429 38.035 38.487 -0.037 0.000 0.968 615 N HN 1.017 nan 8.380 nan 0.000 0.448 616 G N -1.587 107.216 108.800 0.005 0.000 2.184 616 G HA2 -0.230 3.728 3.960 -0.004 0.000 0.206 616 G HA3 -0.230 3.728 3.960 -0.004 0.000 0.206 616 G C -0.275 174.671 174.900 0.077 0.000 0.995 616 G CA -0.117 45.013 45.100 0.050 0.000 0.651 616 G HN 0.451 nan 8.290 nan 0.000 0.511 617 c N 1.638 120.222 118.600 -0.027 0.000 2.514 617 c HA 0.637 5.204 4.570 -0.004 0.000 0.392 617 c C 2.244 176.364 174.090 0.050 0.000 1.294 617 c CA 0.356 56.640 56.329 -0.075 0.000 1.957 617 c CB 0.565 42.957 42.510 -0.197 0.000 2.541 617 c HN 0.911 nan 8.230 nan 0.000 0.569 618 A N 2.781 125.697 122.820 0.160 0.000 2.178 618 A HA 0.396 4.713 4.320 -0.004 0.000 0.218 618 A C 1.167 178.792 177.584 0.067 0.000 1.157 618 A CA 1.488 53.600 52.037 0.125 0.000 0.689 618 A CB -0.454 18.643 19.000 0.161 0.000 0.787 618 A HN 1.474 nan 8.150 nan 0.000 0.465 619 G N -1.741 107.081 108.800 0.037 0.000 2.317 619 G HA2 0.394 4.352 3.960 -0.004 0.000 0.293 619 G HA3 0.394 4.352 3.960 -0.004 0.000 0.293 619 G C -1.351 173.538 174.900 -0.017 0.000 1.287 619 G CA -0.863 44.242 45.100 0.009 0.000 0.850 619 G HN 0.148 nan 8.290 nan 0.000 0.515 620 K N 1.349 121.732 120.400 -0.029 0.000 2.098 620 K HA 0.503 4.820 4.320 -0.004 0.000 0.258 620 K C -2.297 174.273 176.600 -0.050 0.000 0.973 620 K CA -1.571 54.687 56.287 -0.048 0.000 0.898 620 K CB 1.898 34.360 32.500 -0.064 0.000 1.057 620 K HN 0.300 nan 8.250 nan 0.000 0.447 621 P HA 0.014 nan 4.420 nan 0.000 0.268 621 P C -0.225 176.973 177.300 -0.169 0.000 1.204 621 P CA 0.301 63.377 63.100 -0.040 0.000 0.768 621 P CB 0.303 32.020 31.700 0.028 0.000 0.842 622 I N 3.582 124.066 120.570 -0.144 0.000 2.426 622 I HA -0.065 4.103 4.170 -0.004 0.000 0.282 622 I C 2.001 177.873 176.117 -0.408 0.000 1.064 622 I CA -0.217 60.946 61.300 -0.229 0.000 2.047 622 I CB -0.413 37.483 38.000 -0.173 0.000 1.497 622 I HN 0.182 nan 8.210 nan 0.000 0.899 623 V N 1.018 120.551 119.914 -0.636 0.000 2.469 623 V HA -0.239 3.879 4.120 -0.004 0.000 0.251 623 V C 2.286 178.140 176.094 -0.400 0.000 1.064 623 V CA 1.755 63.508 62.300 -0.911 0.000 1.066 623 V CB -0.742 30.662 31.823 -0.699 0.000 0.667 623 V HN 0.787 nan 8.190 nan 0.000 0.461 624 E N 1.667 121.702 120.200 -0.275 0.000 2.333 624 E HA -0.241 4.107 4.350 -0.004 0.000 0.198 624 E C 1.865 178.330 176.600 -0.226 0.000 1.007 624 E CA 1.215 57.536 56.400 -0.132 0.000 0.845 624 E CB -0.417 29.243 29.700 -0.066 0.000 0.766 624 E HN 0.670 nan 8.360 nan 0.000 0.507 625 R N 0.844 121.116 120.500 -0.379 0.000 2.388 625 R HA 0.219 4.556 4.340 -0.004 0.000 0.247 625 R C 0.559 176.884 176.300 0.042 0.000 0.931 625 R CA 0.376 56.183 56.100 -0.488 0.000 1.082 625 R CB 0.480 30.374 30.300 -0.676 0.000 1.135 625 R HN 0.286 nan 8.270 nan 0.000 0.525 626 G N 1.677 110.546 108.800 0.115 0.000 2.829 626 G HA2 -0.284 3.673 3.960 -0.004 0.000 0.628 626 G HA3 -0.284 3.673 3.960 -0.004 0.000 0.628 626 G C -0.894 174.219 174.900 0.356 0.000 1.412 626 G CA -0.798 44.438 45.100 0.228 0.000 0.864 626 G HN 0.194 nan 8.290 nan 0.000 0.544 627 K N -0.005 120.568 120.400 0.288 0.000 2.098 627 K HA 0.667 4.984 4.320 -0.004 0.000 0.257 627 K C 0.687 177.548 176.600 0.435 0.000 0.999 627 K CA 0.103 56.573 56.287 0.306 0.000 0.924 627 K CB 1.572 34.006 32.500 -0.111 0.000 1.028 627 K HN 1.123 nan 8.250 nan 0.000 0.466 628 G N 0.484 109.582 108.800 0.498 0.000 2.708 628 G HA2 0.280 4.237 3.960 -0.004 0.000 0.289 628 G HA3 0.280 4.237 3.960 -0.004 0.000 0.289 628 G C -2.416 172.438 174.900 -0.077 0.000 1.416 628 G CA -1.004 44.302 45.100 0.342 0.000 0.829 628 G HN 0.282 nan 8.290 nan 0.000 0.480 629 P HA -0.096 nan 4.420 nan 0.000 0.225 629 P C 1.329 177.898 177.300 -1.219 0.000 1.148 629 P CA 1.145 63.357 63.100 -1.481 0.000 0.779 629 P CB 0.229 31.588 31.700 -0.569 0.000 0.780 630 E N 0.532 120.406 120.200 -0.543 0.000 2.265 630 E HA -0.124 4.223 4.350 -0.004 0.000 0.196 630 E C 2.110 178.399 176.600 -0.518 0.000 0.996 630 E CA 1.519 57.663 56.400 -0.426 0.000 0.832 630 E CB -1.709 27.855 29.700 -0.226 0.000 0.756 630 E HN 0.218 nan 8.360 nan 0.000 0.491 631 G N 1.299 109.755 108.800 -0.572 0.000 2.448 631 G HA2 -0.227 3.730 3.960 -0.004 0.000 0.219 631 G HA3 -0.227 3.730 3.960 -0.004 0.000 0.219 631 G C 1.050 175.552 174.900 -0.663 0.000 1.127 631 G CA 0.773 45.365 45.100 -0.846 0.000 0.766 631 G HN 0.587 nan 8.290 nan 0.000 0.552 632 W N -0.584 120.491 121.300 -0.375 0.000 3.123 632 W HA 0.580 5.237 4.660 -0.005 0.000 0.383 632 W C 1.703 178.092 176.519 -0.217 0.000 1.102 632 W CA -0.367 56.815 57.345 -0.271 0.000 1.865 632 W CB -0.335 29.021 29.460 -0.174 0.000 1.111 632 W HN 0.006 nan 8.180 nan 0.000 0.621 633 S N 2.007 117.541 115.700 -0.276 0.000 2.382 633 S HA -0.072 4.395 4.470 -0.004 0.000 0.228 633 S C -0.422 174.012 174.600 -0.277 0.000 1.027 633 S CA 1.637 59.682 58.200 -0.259 0.000 0.991 633 S CB -1.001 61.918 63.200 -0.468 0.000 0.823 633 S HN 0.067 nan 8.310 nan 0.000 0.469 634 P HA -0.009 nan 4.420 nan 0.000 0.218 634 P C 1.037 178.153 177.300 -0.307 0.000 1.149 634 P CA 0.767 63.528 63.100 -0.565 0.000 0.817 634 P CB 0.018 31.028 31.700 -1.149 0.000 0.785 635 L N -2.491 118.643 121.223 -0.149 0.000 2.095 635 L HA -0.029 4.308 4.340 -0.004 0.000 0.204 635 L C 2.219 179.215 176.870 0.210 0.000 1.080 635 L CA 1.471 56.364 54.840 0.088 0.000 0.759 635 L CB -1.599 40.494 42.059 0.057 0.000 0.914 635 L HN -0.075 nan 8.230 nan 0.000 0.439 636 F N 0.975 120.936 119.950 0.019 0.000 2.102 636 F HA -0.185 4.340 4.527 -0.004 0.000 0.298 636 F C 2.166 177.949 175.800 -0.029 0.000 1.105 636 F CA 1.594 59.590 58.000 -0.008 0.000 1.239 636 F CB -0.399 38.574 39.000 -0.046 0.000 0.991 636 F HN 0.165 nan 8.300 nan 0.000 0.474 637 N N 0.420 118.894 118.700 -0.376 0.000 2.461 637 N HA 0.066 4.804 4.740 -0.004 0.000 0.188 637 N C 1.335 176.714 175.510 -0.217 0.000 1.134 637 N CA 0.997 53.816 53.050 -0.386 0.000 0.878 637 N CB -0.231 38.157 38.487 -0.165 0.000 0.972 637 N HN 0.493 nan 8.380 nan 0.000 0.456 638 G N 0.612 109.303 108.800 -0.181 0.000 2.221 638 G HA2 -0.300 3.657 3.960 -0.004 0.000 0.265 638 G HA3 -0.300 3.657 3.960 -0.004 0.000 0.265 638 G C 0.823 175.532 174.900 -0.319 0.000 1.041 638 G CA 0.452 45.475 45.100 -0.129 0.000 0.807 638 G HN 0.506 nan 8.290 nan 0.000 0.502 639 A N -1.182 121.295 122.820 -0.572 0.000 2.169 639 A HA 0.789 5.106 4.320 -0.004 0.000 0.210 639 A C 1.658 178.975 177.584 -0.446 0.000 1.168 639 A CA 1.632 53.109 52.037 -0.934 0.000 0.813 639 A CB 0.109 18.462 19.000 -1.079 0.000 0.861 639 A HN 2.067 nan 8.150 nan 0.000 0.481 640 A N 0.599 123.248 122.820 -0.284 0.000 2.351 640 A HA 0.529 4.846 4.320 -0.004 0.000 0.257 640 A C 0.824 178.326 177.584 -0.137 0.000 1.087 640 A CA 0.348 52.246 52.037 -0.233 0.000 0.798 640 A CB -0.221 18.566 19.000 -0.356 0.000 1.033 640 A HN 0.614 nan 8.150 nan 0.000 0.488 641 T N -0.464 113.994 114.554 -0.160 0.000 2.882 641 T HA 0.289 4.636 4.350 -0.004 0.000 0.287 641 T C 0.935 175.559 174.700 -0.127 0.000 1.014 641 T CA 0.057 62.100 62.100 -0.096 0.000 1.049 641 T CB 0.947 69.735 68.868 -0.133 0.000 1.001 641 T HN 0.633 nan 8.240 nan 0.000 0.525 642 Q N 1.449 121.262 119.800 0.021 0.000 2.061 642 Q HA -0.079 4.258 4.340 -0.004 0.000 0.204 642 Q C 2.388 178.354 176.000 -0.056 0.000 0.984 642 Q CA 2.425 58.271 55.803 0.072 0.000 0.846 642 Q CB -1.176 27.628 28.738 0.110 0.000 0.902 642 Q HN 0.927 nan 8.270 nan 0.000 0.421 643 A N 0.474 123.241 122.820 -0.089 0.000 1.883 643 A HA -0.238 4.079 4.320 -0.004 0.000 0.217 643 A C 1.939 179.385 177.584 -0.230 0.000 1.186 643 A CA 1.914 53.881 52.037 -0.116 0.000 0.624 643 A CB -0.887 18.045 19.000 -0.113 0.000 0.822 643 A HN 0.528 nan 8.150 nan 0.000 0.444 644 N N 0.187 118.633 118.700 -0.425 0.000 2.309 644 N HA -0.015 4.722 4.740 -0.004 0.000 0.182 644 N C 1.741 177.006 175.510 -0.409 0.000 1.018 644 N CA 1.335 53.939 53.050 -0.744 0.000 0.876 644 N CB -0.512 37.325 38.487 -1.084 0.000 0.972 644 N HN 0.493 nan 8.380 nan 0.000 0.434 645 A N 1.189 123.785 122.820 -0.373 0.000 1.873 645 A HA -0.125 4.192 4.320 -0.004 0.000 0.215 645 A C 1.729 179.228 177.584 -0.142 0.000 1.186 645 A CA 1.451 53.254 52.037 -0.391 0.000 0.616 645 A CB -0.435 18.045 19.000 -0.867 0.000 0.823 645 A HN 0.120 nan 8.150 nan 0.000 0.442 646 D N 0.333 120.713 120.400 -0.033 0.000 2.149 646 D HA -0.127 4.510 4.640 -0.004 0.000 0.198 646 D C 2.165 178.470 176.300 0.008 0.000 0.990 646 D CA 1.568 55.608 54.000 0.067 0.000 0.839 646 D CB -0.379 40.494 40.800 0.123 0.000 0.948 646 D HN 0.454 nan 8.370 nan 0.000 0.460 647 A N 0.692 123.522 122.820 0.017 0.000 1.898 647 A HA -0.100 4.217 4.320 -0.004 0.000 0.216 647 A C 2.583 180.251 177.584 0.140 0.000 1.181 647 A CA 1.049 53.148 52.037 0.104 0.000 0.620 647 A CB -0.664 18.469 19.000 0.222 0.000 0.819 647 A HN 0.139 nan 8.150 nan 0.000 0.442 648 V N -0.276 119.705 119.914 0.112 0.000 2.295 648 V HA -0.223 3.895 4.120 -0.004 0.000 0.246 648 V C 2.571 178.742 176.094 0.128 0.000 1.049 648 V CA 1.946 64.359 62.300 0.188 0.000 1.024 648 V CB -0.850 31.014 31.823 0.067 0.000 0.648 648 V HN 0.358 nan 8.190 nan 0.000 0.447 649 V N -0.187 119.682 119.914 -0.075 0.000 2.287 649 V HA -0.306 3.812 4.120 -0.004 0.000 0.248 649 V C 2.462 178.465 176.094 -0.152 0.000 1.053 649 V CA 2.117 64.270 62.300 -0.244 0.000 1.027 649 V CB -0.763 30.632 31.823 -0.713 0.000 0.646 649 V HN 0.535 nan 8.190 nan 0.000 0.447 650 K N -0.288 120.059 120.400 -0.089 0.000 2.063 650 K HA -0.170 4.148 4.320 -0.004 0.000 0.208 650 K C 2.041 178.669 176.600 0.048 0.000 1.048 650 K CA 1.613 57.889 56.287 -0.018 0.000 0.928 650 K CB -0.425 32.088 32.500 0.023 0.000 0.713 650 K HN 0.373 nan 8.250 nan 0.000 0.442 651 V N 1.522 121.509 119.914 0.120 0.000 2.358 651 V HA -0.255 3.863 4.120 -0.004 0.000 0.246 651 V C 2.235 178.473 176.094 0.239 0.000 1.047 651 V CA 1.689 64.092 62.300 0.171 0.000 1.035 651 V CB -0.415 31.552 31.823 0.240 0.000 0.658 651 V HN 0.343 nan 8.190 nan 0.000 0.452 652 M N -0.520 119.214 119.600 0.223 0.000 2.149 652 M HA -0.152 4.325 4.480 -0.004 0.000 0.261 652 M C 1.979 178.337 176.300 0.096 0.000 1.064 652 M CA 1.871 57.258 55.300 0.145 0.000 1.102 652 M CB -0.441 32.092 32.600 -0.111 0.000 1.369 652 M HN 0.256 nan 8.290 nan 0.000 0.408 653 L N -0.554 120.685 121.223 0.028 0.000 2.554 653 L HA -0.001 4.336 4.340 -0.004 0.000 0.226 653 L C 0.725 177.628 176.870 0.054 0.000 1.137 653 L CA -0.161 54.691 54.840 0.018 0.000 0.863 653 L CB -0.536 41.506 42.059 -0.027 0.000 0.985 653 L HN 0.172 nan 8.230 nan 0.000 0.451 654 D N 0.958 121.404 120.400 0.077 0.000 2.343 654 D HA 0.063 4.700 4.640 -0.004 0.000 0.255 654 D C -1.684 174.647 176.300 0.051 0.000 1.187 654 D CA -1.766 52.266 54.000 0.054 0.000 0.875 654 D CB 1.877 42.700 40.800 0.039 0.000 1.136 654 D HN -0.100 nan 8.370 nan 0.000 0.469 655 P HA -0.084 nan 4.420 nan 0.000 0.220 655 P C 0.721 178.014 177.300 -0.011 0.000 1.148 655 P CA 1.179 64.300 63.100 0.035 0.000 0.803 655 P CB 0.313 32.034 31.700 0.036 0.000 0.782 656 K N -1.135 119.243 120.400 -0.036 0.000 2.418 656 K HA -0.007 4.310 4.320 -0.004 0.000 0.195 656 K C 1.445 177.946 176.600 -0.165 0.000 1.035 656 K CA 0.712 56.946 56.287 -0.088 0.000 1.003 656 K CB 0.138 32.597 32.500 -0.069 0.000 0.793 656 K HN 0.184 nan 8.250 nan 0.000 0.494 657 E N -0.445 119.663 120.200 -0.153 0.000 2.184 657 E HA 0.107 4.454 4.350 -0.004 0.000 0.194 657 E C 1.152 177.465 176.600 -0.478 0.000 0.978 657 E CA 0.810 57.009 56.400 -0.335 0.000 0.998 657 E CB 0.009 29.600 29.700 -0.183 0.000 1.240 657 E HN 0.129 nan 8.360 nan 0.000 0.492 658 F N 0.345 120.322 119.950 0.046 0.000 2.784 658 F HA 0.250 4.775 4.527 -0.003 0.000 0.323 658 F C 1.033 176.901 175.800 0.113 0.000 1.085 658 F CA -0.413 57.664 58.000 0.128 0.000 1.196 658 F CB 0.462 39.593 39.000 0.218 0.000 1.053 658 F HN -0.111 nan 8.300 nan 0.000 0.578 659 N N 1.897 120.729 118.700 0.220 0.000 3.254 659 N HA 0.026 4.763 4.740 -0.004 0.000 0.308 659 N C 0.092 175.697 175.510 0.158 0.000 1.281 659 N CA 0.206 53.358 53.050 0.169 0.000 1.212 659 N CB -0.285 38.270 38.487 0.113 0.000 1.478 659 N HN 0.201 nan 8.380 nan 0.000 0.548 660 T N -2.488 112.183 114.554 0.195 0.000 2.810 660 T HA 0.145 4.493 4.350 -0.004 0.000 0.277 660 T C 1.458 176.307 174.700 0.248 0.000 0.973 660 T CA -0.695 61.525 62.100 0.200 0.000 0.949 660 T CB 0.368 69.362 68.868 0.210 0.000 1.075 660 T HN 0.123 nan 8.240 nan 0.000 0.537 661 F N 1.177 121.181 119.950 0.090 0.000 2.063 661 F HA -0.074 4.451 4.527 -0.003 0.000 0.298 661 F C 0.783 176.696 175.800 0.188 0.000 1.105 661 F CA 1.508 59.547 58.000 0.065 0.000 1.215 661 F CB -0.346 38.606 39.000 -0.080 0.000 0.972 661 F HN 0.279 nan 8.300 nan 0.000 0.483 662 V N 3.319 123.306 119.914 0.121 0.000 2.304 662 V HA 0.292 4.409 4.120 -0.004 0.000 0.278 662 V C -2.093 174.104 176.094 0.172 0.000 1.018 662 V CA -1.779 60.514 62.300 -0.012 0.000 0.814 662 V CB 1.010 32.767 31.823 -0.110 0.000 1.021 662 V HN -0.005 nan 8.190 nan 0.000 0.440 663 P HA 0.277 nan 4.420 nan 0.000 0.274 663 P C 0.210 177.789 177.300 0.465 0.000 1.256 663 P CA -0.056 63.246 63.100 0.337 0.000 0.795 663 P CB 0.895 32.774 31.700 0.300 0.000 1.038 664 L N -2.448 119.049 121.223 0.455 0.000 3.533 664 L HA -0.186 4.151 4.340 -0.004 0.000 0.477 664 L C 1.001 178.320 176.870 0.749 0.000 1.306 664 L CA 0.240 55.369 54.840 0.482 0.000 0.850 664 L CB -2.359 39.766 42.059 0.109 0.000 1.654 664 L HN 0.622 nan 8.230 nan 0.000 0.863 665 G N -0.318 108.944 108.800 0.770 0.000 2.611 665 G HA2 0.237 4.194 3.960 -0.004 0.000 0.273 665 G HA3 0.237 4.194 3.960 -0.004 0.000 0.273 665 G C 0.957 176.307 174.900 0.750 0.000 1.305 665 G CA 0.425 45.932 45.100 0.679 0.000 1.010 665 G HN 0.337 nan 8.290 nan 0.000 0.509 666 T N -1.490 113.430 114.554 0.609 0.000 3.148 666 T HA 0.456 4.804 4.350 -0.004 0.000 0.253 666 T C 0.480 175.505 174.700 0.543 0.000 1.134 666 T CA 1.130 63.568 62.100 0.563 0.000 1.051 666 T CB -0.636 68.552 68.868 0.534 0.000 0.959 666 T HN 1.252 nan 8.240 nan 0.000 0.525 667 A N 0.156 123.347 122.820 0.618 0.000 2.532 667 A HA 0.750 5.067 4.320 -0.004 0.000 0.296 667 A C -0.138 177.631 177.584 0.308 0.000 1.058 667 A CA -0.442 51.911 52.037 0.526 0.000 0.729 667 A CB 0.593 19.881 19.000 0.480 0.000 1.285 667 A HN 0.502 nan 8.150 nan 0.000 0.396 668 A N 1.112 123.802 122.820 -0.217 0.000 2.448 668 A HA 0.478 4.796 4.320 -0.004 0.000 0.239 668 A C 1.113 178.359 177.584 -0.563 0.000 1.080 668 A CA 0.102 51.550 52.037 -0.982 0.000 0.779 668 A CB -0.146 18.201 19.000 -1.087 0.000 1.026 668 A HN 1.245 nan 8.150 nan 0.000 0.499 669 L N 0.676 121.452 121.223 -0.745 0.000 2.265 669 L HA -0.141 4.197 4.340 -0.004 0.000 0.215 669 L C 2.549 179.085 176.870 -0.557 0.000 1.117 669 L CA 1.790 56.032 54.840 -0.997 0.000 0.782 669 L CB -0.585 41.068 42.059 -0.677 0.000 0.914 669 L HN 1.003 nan 8.230 nan 0.000 0.441 670 T N -4.223 110.125 114.554 -0.344 0.000 3.100 670 T HA -0.038 4.309 4.350 -0.004 0.000 0.253 670 T C 0.983 175.667 174.700 -0.026 0.000 1.118 670 T CA -0.295 61.712 62.100 -0.156 0.000 1.058 670 T CB -0.407 68.381 68.868 -0.134 0.000 0.953 670 T HN 0.142 nan 8.240 nan 0.000 0.515 671 N N 3.317 122.021 118.700 0.007 0.000 2.447 671 N HA 0.051 4.789 4.740 -0.004 0.000 0.263 671 N C -1.281 174.368 175.510 0.232 0.000 1.226 671 N CA -1.428 51.724 53.050 0.170 0.000 0.906 671 N CB 1.594 40.229 38.487 0.246 0.000 1.060 671 N HN 0.103 nan 8.380 nan 0.000 0.468 672 P HA -0.126 nan 4.420 nan 0.000 0.220 672 P C 0.308 177.682 177.300 0.123 0.000 1.144 672 P CA 1.116 64.359 63.100 0.239 0.000 0.800 672 P CB 0.215 32.144 31.700 0.383 0.000 0.772 673 A N -1.524 121.382 122.820 0.142 0.000 2.423 673 A HA 0.218 4.536 4.320 -0.004 0.000 0.246 673 A C 0.458 178.120 177.584 0.130 0.000 1.278 673 A CA -0.693 51.363 52.037 0.031 0.000 0.903 673 A CB -1.174 17.812 19.000 -0.023 0.000 0.997 673 A HN 0.112 nan 8.150 nan 0.000 0.510 674 F N 0.999 120.992 119.950 0.071 0.000 2.563 674 F HA 0.416 4.940 4.527 -0.006 0.000 0.363 674 F C 0.632 176.467 175.800 0.059 0.000 1.123 674 F CA 0.806 58.852 58.000 0.076 0.000 1.307 674 F CB 0.583 39.614 39.000 0.053 0.000 1.115 674 F HN 0.123 nan 8.300 nan 0.000 0.592 675 G N 4.164 112.288 108.800 -1.127 0.000 2.684 675 G HA2 0.493 4.450 3.960 -0.004 0.000 0.289 675 G HA3 0.493 4.450 3.960 -0.004 0.000 0.289 675 G C -0.085 174.230 174.900 -0.976 0.000 1.416 675 G CA -0.235 44.392 45.100 -0.788 0.000 1.235 675 G HN 1.057 nan 8.290 nan 0.000 0.576 676 A N 1.458 123.840 122.820 -0.730 0.000 2.076 676 A HA 0.018 4.335 4.320 -0.004 0.000 0.220 676 A C 1.460 178.944 177.584 -0.166 0.000 1.160 676 A CA 1.802 53.661 52.037 -0.297 0.000 0.653 676 A CB 0.053 19.059 19.000 0.010 0.000 0.801 676 A HN 0.494 nan 8.150 nan 0.000 0.455 677 D N -1.130 119.173 120.400 -0.162 0.000 2.395 677 D HA 0.208 4.845 4.640 -0.004 0.000 0.213 677 D C -0.542 175.736 176.300 -0.037 0.000 1.110 677 D CA -0.104 53.845 54.000 -0.086 0.000 0.835 677 D CB 0.259 41.023 40.800 -0.060 0.000 0.965 677 D HN 0.273 nan 8.370 nan 0.000 0.505 678 I N 1.541 122.071 120.570 -0.068 0.000 2.396 678 I HA -0.026 4.142 4.170 -0.004 0.000 0.289 678 I C 1.362 177.545 176.117 0.111 0.000 1.056 678 I CA -0.355 60.965 61.300 0.035 0.000 1.365 678 I CB 0.428 38.430 38.000 0.004 0.000 1.407 678 I HN -0.116 nan 8.210 nan 0.000 0.509 679 Y N 4.705 124.960 120.300 -0.074 0.000 2.030 679 Y HA -0.270 4.277 4.550 -0.005 0.000 0.272 679 Y C 1.282 177.017 175.900 -0.275 0.000 1.185 679 Y CA 2.136 60.127 58.100 -0.182 0.000 1.120 679 Y CB -0.423 37.940 38.460 -0.162 0.000 0.955 679 Y HN 0.608 nan 8.280 nan 0.000 0.495 680 W N -1.224 120.323 121.300 0.412 0.000 3.102 680 W HA 0.352 5.009 4.660 -0.005 0.000 0.401 680 W C 0.836 177.507 176.519 0.253 0.000 1.070 680 W CA -0.122 57.403 57.345 0.300 0.000 1.921 680 W CB 0.319 29.894 29.460 0.191 0.000 1.118 680 W HN -0.300 nan 8.180 nan 0.000 0.647 681 R N 0.085 120.775 120.500 0.317 0.000 2.668 681 R HA 0.348 4.685 4.340 -0.004 0.000 0.435 681 R C 0.884 177.251 176.300 0.112 0.000 1.059 681 R CA 0.388 56.636 56.100 0.247 0.000 1.073 681 R CB 0.678 31.084 30.300 0.177 0.000 1.401 681 R HN 0.240 nan 8.270 nan 0.000 0.590 682 G N 0.109 109.021 108.800 0.186 0.000 3.859 682 G HA2 -0.119 3.838 3.960 -0.004 0.000 0.198 682 G HA3 -0.119 3.838 3.960 -0.004 0.000 0.198 682 G C -0.199 174.839 174.900 0.231 0.000 0.972 682 G CA -0.747 44.451 45.100 0.163 0.000 0.882 682 G HN -0.017 nan 8.290 nan 0.000 0.364 683 R N 1.042 121.603 120.500 0.101 0.000 2.698 683 R HA 0.399 4.737 4.340 -0.004 0.000 0.266 683 R C 0.018 176.418 176.300 0.167 0.000 1.026 683 R CA -0.013 56.095 56.100 0.013 0.000 1.102 683 R CB 0.770 30.902 30.300 -0.280 0.000 0.978 683 R HN 0.165 nan 8.270 nan 0.000 0.436 684 V N 4.010 124.004 119.914 0.133 0.000 2.383 684 V HA 0.216 4.333 4.120 -0.004 0.000 0.275 684 V C -0.319 175.887 176.094 0.187 0.000 1.036 684 V CA -0.517 61.972 62.300 0.315 0.000 0.889 684 V CB 0.662 32.699 31.823 0.357 0.000 0.985 684 V HN 0.564 nan 8.190 nan 0.000 0.459 685 W N 2.764 124.188 121.300 0.207 0.000 2.570 685 W HA 0.546 5.203 4.660 -0.005 0.000 0.337 685 W C 1.011 177.730 176.519 0.333 0.000 1.067 685 W CA -0.695 56.761 57.345 0.185 0.000 1.229 685 W CB 1.380 30.973 29.460 0.223 0.000 1.355 685 W HN 0.315 nan 8.180 nan 0.000 0.555 686 V N 1.463 121.702 119.914 0.543 0.000 2.515 686 V HA -0.261 3.856 4.120 -0.004 0.000 0.250 686 V C 1.933 178.148 176.094 0.201 0.000 1.058 686 V CA 2.216 64.761 62.300 0.408 0.000 1.064 686 V CB -0.767 31.306 31.823 0.417 0.000 0.675 686 V HN 0.691 nan 8.190 nan 0.000 0.461 687 D N -0.138 120.296 120.400 0.058 0.000 2.084 687 D HA -0.223 4.415 4.640 -0.004 0.000 0.196 687 D C 1.977 177.782 176.300 -0.825 0.000 0.985 687 D CA 1.165 54.532 54.000 -1.054 0.000 0.826 687 D CB -0.552 39.696 40.800 -0.921 0.000 0.978 687 D HN 0.334 nan 8.370 nan 0.000 0.456 688 Q N -0.554 119.269 119.800 0.038 0.000 2.170 688 Q HA -0.090 4.247 4.340 -0.004 0.000 0.203 688 Q C 2.099 178.388 176.000 0.482 0.000 0.976 688 Q CA 0.597 56.673 55.803 0.454 0.000 0.858 688 Q CB -0.602 28.543 28.738 0.677 0.000 0.907 688 Q HN 0.438 nan 8.270 nan 0.000 0.433 689 F N -0.523 119.546 119.950 0.200 0.000 2.113 689 F HA -0.197 4.327 4.527 -0.004 0.000 0.297 689 F C 2.068 177.820 175.800 -0.079 0.000 1.103 689 F CA 1.327 59.363 58.000 0.061 0.000 1.248 689 F CB -0.463 38.559 39.000 0.036 0.000 0.999 689 F HN 0.128 nan 8.300 nan 0.000 0.475 690 W N 0.090 121.236 121.300 -0.257 0.000 2.388 690 W HA -0.194 4.463 4.660 -0.005 0.000 0.294 690 W C 1.837 178.219 176.519 -0.228 0.000 1.212 690 W CA 1.724 58.891 57.345 -0.297 0.000 1.271 690 W CB -0.604 28.790 29.460 -0.110 0.000 1.126 690 W HN 0.041 nan 8.180 nan 0.000 0.535 691 F N 0.593 120.417 119.950 -0.210 0.000 2.161 691 F HA -0.042 4.482 4.527 -0.005 0.000 0.300 691 F C 2.584 178.193 175.800 -0.318 0.000 1.089 691 F CA 1.418 59.110 58.000 -0.514 0.000 1.282 691 F CB -1.552 37.235 39.000 -0.355 0.000 1.010 691 F HN -0.011 nan 8.300 nan 0.000 0.485 692 G N 0.013 108.647 108.800 -0.276 0.000 2.421 692 G HA2 -0.194 3.763 3.960 -0.004 0.000 0.216 692 G HA3 -0.194 3.763 3.960 -0.004 0.000 0.216 692 G C 1.667 176.161 174.900 -0.678 0.000 1.171 692 G CA 0.732 45.312 45.100 -0.866 0.000 0.775 692 G HN 0.207 nan 8.290 nan 0.000 0.543 693 L N 0.649 121.383 121.223 -0.815 0.000 2.046 693 L HA 0.008 4.345 4.340 -0.004 0.000 0.208 693 L C 2.792 179.345 176.870 -0.528 0.000 1.077 693 L CA 1.375 55.682 54.840 -0.888 0.000 0.747 693 L CB -0.395 40.783 42.059 -1.468 0.000 0.896 693 L HN 0.037 nan 8.230 nan 0.000 0.432 694 K N -0.335 119.814 120.400 -0.418 0.000 2.097 694 K HA -0.027 4.290 4.320 -0.004 0.000 0.206 694 K C 2.136 178.760 176.600 0.040 0.000 1.049 694 K CA 1.295 57.517 56.287 -0.107 0.000 0.933 694 K CB -0.955 31.373 32.500 -0.286 0.000 0.717 694 K HN 0.424 nan 8.250 nan 0.000 0.442 695 G N 1.262 110.096 108.800 0.057 0.000 2.421 695 G HA2 -0.241 3.716 3.960 -0.004 0.000 0.216 695 G HA3 -0.241 3.716 3.960 -0.004 0.000 0.216 695 G C 1.670 176.670 174.900 0.167 0.000 1.171 695 G CA 0.766 45.963 45.100 0.162 0.000 0.775 695 G HN 0.169 nan 8.290 nan 0.000 0.543 696 M N 0.101 119.704 119.600 0.006 0.000 2.080 696 M HA -0.045 4.432 4.480 -0.004 0.000 0.260 696 M C 2.459 178.879 176.300 0.201 0.000 1.068 696 M CA 1.758 57.097 55.300 0.065 0.000 1.109 696 M CB -0.336 32.194 32.600 -0.118 0.000 1.342 696 M HN 0.383 nan 8.290 nan 0.000 0.405 697 E N 0.685 120.951 120.200 0.110 0.000 2.077 697 E HA -0.260 4.088 4.350 -0.004 0.000 0.193 697 E C 2.116 178.759 176.600 0.071 0.000 0.989 697 E CA 1.268 57.751 56.400 0.138 0.000 0.800 697 E CB -0.096 29.741 29.700 0.228 0.000 0.746 697 E HN 0.366 nan 8.360 nan 0.000 0.452 698 R N -0.651 119.865 120.500 0.027 0.000 2.159 698 R HA -0.162 4.175 4.340 -0.004 0.000 0.237 698 R C 0.759 176.836 176.300 -0.372 0.000 1.131 698 R CA 1.376 57.373 56.100 -0.172 0.000 0.982 698 R CB -0.109 30.046 30.300 -0.242 0.000 0.868 698 R HN 0.273 nan 8.270 nan 0.000 0.453 699 Y N -0.739 119.598 120.300 0.063 0.000 2.683 699 Y HA 0.291 4.839 4.550 -0.004 0.000 0.297 699 Y C 1.154 177.042 175.900 -0.020 0.000 1.147 699 Y CA 0.354 58.494 58.100 0.068 0.000 1.274 699 Y CB 1.069 39.616 38.460 0.145 0.000 1.143 699 Y HN 0.347 nan 8.280 nan 0.000 0.527 700 G N -0.909 107.875 108.800 -0.027 0.000 2.175 700 G HA2 -0.335 3.623 3.960 -0.004 0.000 0.244 700 G HA3 -0.335 3.623 3.960 -0.004 0.000 0.244 700 G C -0.059 174.645 174.900 -0.326 0.000 0.982 700 G CA -0.220 44.755 45.100 -0.209 0.000 0.641 700 G HN 0.435 nan 8.290 nan 0.000 0.527 701 Y N 0.246 120.571 120.300 0.041 0.000 2.839 701 Y HA 0.438 4.986 4.550 -0.004 0.000 0.361 701 Y C 1.874 177.782 175.900 0.014 0.000 1.008 701 Y CA -0.025 58.087 58.100 0.021 0.000 1.534 701 Y CB 0.259 38.723 38.460 0.007 0.000 1.395 701 Y HN 0.263 nan 8.280 nan 0.000 0.534 702 R N 0.485 121.058 120.500 0.122 0.000 2.096 702 R HA -0.155 4.182 4.340 -0.004 0.000 0.235 702 R C 1.158 177.533 176.300 0.125 0.000 1.127 702 R CA 1.980 58.168 56.100 0.147 0.000 0.968 702 R CB 0.093 30.467 30.300 0.124 0.000 0.861 702 R HN 0.371 nan 8.270 nan 0.000 0.440 703 D N 0.720 121.177 120.400 0.095 0.000 2.123 703 D HA -0.179 4.458 4.640 -0.004 0.000 0.196 703 D C 1.322 177.669 176.300 0.079 0.000 0.992 703 D CA 1.320 55.370 54.000 0.083 0.000 0.833 703 D CB -0.267 40.573 40.800 0.066 0.000 0.954 703 D HN 0.341 nan 8.370 nan 0.000 0.455 704 D N 0.332 120.789 120.400 0.095 0.000 2.183 704 D HA -0.031 4.607 4.640 -0.004 0.000 0.203 704 D C 2.015 178.296 176.300 -0.032 0.000 0.969 704 D CA 0.721 54.751 54.000 0.050 0.000 0.842 704 D CB 0.071 40.911 40.800 0.067 0.000 0.957 704 D HN 0.093 nan 8.370 nan 0.000 0.484 705 A N 1.011 123.790 122.820 -0.069 0.000 1.930 705 A HA -0.106 4.212 4.320 -0.004 0.000 0.217 705 A C 2.373 179.822 177.584 -0.224 0.000 1.175 705 A CA 0.750 52.614 52.037 -0.289 0.000 0.627 705 A CB -0.700 18.057 19.000 -0.406 0.000 0.815 705 A HN 0.165 nan 8.150 nan 0.000 0.443 706 L N -0.665 120.566 121.223 0.013 0.000 2.083 706 L HA -0.210 4.128 4.340 -0.004 0.000 0.209 706 L C 2.570 179.500 176.870 0.099 0.000 1.083 706 L CA 1.669 56.586 54.840 0.130 0.000 0.752 706 L CB -0.400 41.754 42.059 0.157 0.000 0.899 706 L HN 0.379 nan 8.230 nan 0.000 0.433 707 K N 0.078 120.514 120.400 0.059 0.000 2.057 707 K HA -0.139 4.178 4.320 -0.004 0.000 0.207 707 K C 2.070 178.714 176.600 0.074 0.000 1.049 707 K CA 1.118 57.442 56.287 0.062 0.000 0.931 707 K CB -0.210 32.317 32.500 0.045 0.000 0.714 707 K HN 0.254 nan 8.250 nan 0.000 0.440 708 L N 0.622 121.872 121.223 0.045 0.000 2.141 708 L HA -0.150 4.187 4.340 -0.004 0.000 0.209 708 L C 2.609 179.656 176.870 0.294 0.000 1.094 708 L CA 0.884 55.792 54.840 0.113 0.000 0.763 708 L CB -0.646 41.408 42.059 -0.008 0.000 0.908 708 L HN 0.224 nan 8.230 nan 0.000 0.437 709 A N 0.207 123.169 122.820 0.237 0.000 1.902 709 A HA -0.288 4.030 4.320 -0.004 0.000 0.217 709 A C 1.965 179.882 177.584 0.555 0.000 1.181 709 A CA 2.120 54.441 52.037 0.473 0.000 0.623 709 A CB -0.591 18.637 19.000 0.380 0.000 0.818 709 A HN 0.449 nan 8.150 nan 0.000 0.443 710 D N -1.118 119.474 120.400 0.319 0.000 2.117 710 D HA -0.111 4.527 4.640 -0.004 0.000 0.198 710 D C 1.920 178.283 176.300 0.105 0.000 0.982 710 D CA 1.949 56.075 54.000 0.210 0.000 0.828 710 D CB -0.144 40.720 40.800 0.107 0.000 0.967 710 D HN 0.344 nan 8.370 nan 0.000 0.464 711 T N -0.442 114.132 114.554 0.032 0.000 2.684 711 T HA -0.168 4.180 4.350 -0.004 0.000 0.267 711 T C 1.610 176.139 174.700 -0.286 0.000 1.036 711 T CA 1.221 63.182 62.100 -0.232 0.000 1.148 711 T CB -0.681 68.119 68.868 -0.113 0.000 0.863 711 T HN 0.253 nan 8.240 nan 0.000 0.436 712 F N 1.076 120.955 119.950 -0.118 0.000 2.095 712 F HA -0.108 4.417 4.527 -0.004 0.000 0.298 712 F C 1.912 177.597 175.800 -0.193 0.000 1.104 712 F CA 1.140 59.009 58.000 -0.218 0.000 1.232 712 F CB -0.494 38.392 39.000 -0.190 0.000 0.987 712 F HN 0.131 nan 8.300 nan 0.000 0.475 713 F N 1.200 121.162 119.950 0.021 0.000 2.216 713 F HA -0.130 4.394 4.527 -0.004 0.000 0.300 713 F C 2.326 177.945 175.800 -0.301 0.000 1.085 713 F CA 1.699 59.580 58.000 -0.197 0.000 1.326 713 F CB -0.331 38.485 39.000 -0.307 0.000 1.027 713 F HN -0.127 nan 8.300 nan 0.000 0.497 714 R N -1.825 118.507 120.500 -0.279 0.000 2.210 714 R HA 0.052 4.390 4.340 -0.004 0.000 0.203 714 R C 1.411 177.543 176.300 -0.280 0.000 1.010 714 R CA 1.012 56.939 56.100 -0.289 0.000 1.008 714 R CB -0.240 29.925 30.300 -0.224 0.000 0.923 714 R HN 0.480 nan 8.270 nan 0.000 0.469 715 H N -0.696 118.040 119.070 -0.557 0.000 2.729 715 H HA 0.301 4.855 4.556 -0.004 0.000 0.263 715 H C 0.241 175.155 175.328 -0.689 0.000 0.961 715 H CA -0.340 55.251 56.048 -0.761 0.000 1.217 715 H CB 0.720 29.643 29.762 -1.397 0.000 1.447 715 H HN 0.042 nan 8.280 nan 0.000 0.496 716 A N 2.751 125.067 122.820 -0.840 0.000 2.473 716 A HA 0.034 4.352 4.320 -0.004 0.000 0.282 716 A C 0.210 177.491 177.584 -0.505 0.000 1.163 716 A CA -0.222 51.162 52.037 -1.087 0.000 0.827 716 A CB -0.106 17.740 19.000 -1.922 0.000 1.098 716 A HN 0.146 nan 8.150 nan 0.000 0.515 717 K N 1.623 121.903 120.400 -0.200 0.000 2.524 717 K HA 0.094 4.411 4.320 -0.004 0.000 0.279 717 K C 1.425 178.011 176.600 -0.024 0.000 0.993 717 K CA 1.371 57.627 56.287 -0.051 0.000 1.030 717 K CB 0.205 32.727 32.500 0.036 0.000 0.891 717 K HN 1.532 nan 8.250 nan 0.000 0.488 718 G N 2.156 110.923 108.800 -0.055 0.000 2.196 718 G HA2 -0.314 3.644 3.960 -0.004 0.000 0.268 718 G HA3 -0.314 3.644 3.960 -0.004 0.000 0.268 718 G C 0.825 175.692 174.900 -0.054 0.000 0.975 718 G CA 0.524 45.603 45.100 -0.036 0.000 0.648 718 G HN 0.553 nan 8.290 nan 0.000 0.538 719 L N 1.489 122.629 121.223 -0.138 0.000 2.043 719 L HA 0.034 4.371 4.340 -0.004 0.000 0.212 719 L C 2.865 179.650 176.870 -0.140 0.000 1.075 719 L CA 3.418 58.161 54.840 -0.163 0.000 0.752 719 L CB -0.564 41.247 42.059 -0.413 0.000 0.891 719 L HN 0.689 nan 8.230 nan 0.000 0.432 720 T N -3.250 111.190 114.554 -0.190 0.000 3.163 720 T HA 0.572 4.919 4.350 -0.004 0.000 0.252 720 T C 0.608 175.298 174.700 -0.015 0.000 1.056 720 T CA 0.078 62.128 62.100 -0.083 0.000 0.947 720 T CB -0.303 68.507 68.868 -0.097 0.000 1.016 720 T HN 0.346 nan 8.240 nan 0.000 0.554 721 A N 2.072 124.883 122.820 -0.014 0.000 2.298 721 A HA 0.592 4.909 4.320 -0.004 0.000 0.302 721 A C 0.756 178.362 177.584 0.037 0.000 1.177 721 A CA -0.279 51.766 52.037 0.012 0.000 0.912 721 A CB 0.576 19.579 19.000 0.005 0.000 1.331 721 A HN 0.397 nan 8.150 nan 0.000 0.504 722 D N -0.599 119.829 120.400 0.046 0.000 2.395 722 D HA 0.252 4.889 4.640 -0.004 0.000 0.226 722 D C 0.552 176.892 176.300 0.067 0.000 1.146 722 D CA 0.353 54.391 54.000 0.062 0.000 0.830 722 D CB -0.527 40.313 40.800 0.068 0.000 0.958 722 D HN 0.545 nan 8.370 nan 0.000 0.501 723 G N 1.079 109.913 108.800 0.056 0.000 2.504 723 G HA2 0.469 4.426 3.960 -0.004 0.000 0.288 723 G HA3 0.469 4.426 3.960 -0.004 0.000 0.288 723 G C -2.347 172.591 174.900 0.063 0.000 1.182 723 G CA -1.214 43.919 45.100 0.055 0.000 0.894 723 G HN 0.041 nan 8.290 nan 0.000 0.521 724 P HA 0.176 nan 4.420 nan 0.000 0.272 724 P C -0.115 177.217 177.300 0.053 0.000 1.230 724 P CA -0.169 62.974 63.100 0.071 0.000 0.788 724 P CB 1.192 32.934 31.700 0.071 0.000 0.949 725 I N 1.493 122.110 120.570 0.077 0.000 2.529 725 I HA 0.057 4.224 4.170 -0.004 0.000 0.284 725 I C 1.352 177.489 176.117 0.033 0.000 1.082 725 I CA 0.241 61.590 61.300 0.082 0.000 1.406 725 I CB 0.210 38.295 38.000 0.142 0.000 1.405 725 I HN 0.327 nan 8.210 nan 0.000 0.548 726 Q N 4.000 123.755 119.800 -0.075 0.000 2.934 726 Q HA 0.323 4.661 4.340 -0.004 0.000 0.219 726 Q C 0.377 176.129 176.000 -0.413 0.000 1.024 726 Q CA -0.760 54.896 55.803 -0.246 0.000 0.928 726 Q CB 1.120 29.657 28.738 -0.335 0.000 1.594 726 Q HN 0.527 nan 8.270 nan 0.000 0.485 727 E N 0.074 119.789 120.200 -0.808 0.000 2.099 727 E HA -0.023 4.324 4.350 -0.004 0.000 0.191 727 E C -0.200 175.582 176.600 -1.363 0.000 0.962 727 E CA 0.659 56.322 56.400 -1.229 0.000 0.826 727 E CB 0.327 29.052 29.700 -1.625 0.000 0.788 727 E HN 0.467 nan 8.360 nan 0.000 0.461 728 N N -1.191 116.640 118.700 -1.448 0.000 2.853 728 N HA 0.277 5.014 4.740 -0.004 0.000 0.258 728 N C -1.595 173.254 175.510 -1.102 0.000 1.444 728 N CA -0.735 51.464 53.050 -1.419 0.000 0.837 728 N CB 0.572 37.818 38.487 -2.069 0.000 1.489 728 N HN -0.139 nan 8.380 nan 0.000 0.529 729 Y N -1.343 118.696 120.300 -0.434 0.000 2.536 729 Y HA 0.459 5.006 4.550 -0.005 0.000 0.347 729 Y C -0.004 175.798 175.900 -0.163 0.000 1.000 729 Y CA -1.093 56.862 58.100 -0.241 0.000 1.051 729 Y CB 1.537 39.913 38.460 -0.141 0.000 1.259 729 Y HN 0.578 nan 8.280 nan 0.000 0.468 730 N N 4.373 123.114 118.700 0.070 0.000 2.442 730 N HA 0.089 4.826 4.740 -0.004 0.000 0.265 730 N C -1.897 173.707 175.510 0.157 0.000 1.138 730 N CA -1.726 51.360 53.050 0.060 0.000 0.956 730 N CB 1.407 39.911 38.487 0.028 0.000 1.067 730 N HN 0.373 nan 8.380 nan 0.000 0.474 731 P HA -0.080 nan 4.420 nan 0.000 0.225 731 P C 1.115 178.577 177.300 0.271 0.000 1.148 731 P CA 0.937 64.194 63.100 0.262 0.000 0.779 731 P CB 0.501 32.402 31.700 0.334 0.000 0.780 732 L N -0.645 120.700 121.223 0.204 0.000 2.357 732 L HA 0.082 4.420 4.340 -0.004 0.000 0.211 732 L C 2.371 179.202 176.870 -0.065 0.000 1.075 732 L CA 1.758 56.663 54.840 0.109 0.000 0.830 732 L CB -0.846 41.254 42.059 0.067 0.000 0.996 732 L HN 0.073 nan 8.230 nan 0.000 0.467 733 T N -4.992 109.559 114.554 -0.006 0.000 2.975 733 T HA 0.264 4.611 4.350 -0.004 0.000 0.257 733 T C 1.425 176.209 174.700 0.140 0.000 1.003 733 T CA 0.543 62.564 62.100 -0.133 0.000 0.932 733 T CB 0.962 69.764 68.868 -0.109 0.000 1.087 733 T HN 0.333 nan 8.240 nan 0.000 0.512 734 G N 1.761 110.717 108.800 0.260 0.000 2.162 734 G HA2 -0.072 3.885 3.960 -0.004 0.000 0.260 734 G HA3 -0.072 3.885 3.960 -0.004 0.000 0.260 734 G C 0.364 175.372 174.900 0.180 0.000 0.976 734 G CA 0.036 45.253 45.100 0.196 0.000 0.655 734 G HN 1.291 nan 8.290 nan 0.000 0.533 735 A N -0.129 122.754 122.820 0.105 0.000 2.477 735 A HA 0.582 4.899 4.320 -0.004 0.000 0.246 735 A C 0.649 178.231 177.584 -0.002 0.000 1.078 735 A CA 0.386 52.448 52.037 0.040 0.000 0.770 735 A CB 0.287 19.279 19.000 -0.014 0.000 1.011 735 A HN 0.579 nan 8.150 nan 0.000 0.494 736 Q N 0.885 120.644 119.800 -0.069 0.000 2.227 736 Q HA 0.504 4.842 4.340 -0.004 0.000 0.245 736 Q C -0.644 175.193 176.000 -0.271 0.000 0.926 736 Q CA -0.216 55.430 55.803 -0.262 0.000 0.895 736 Q CB 1.360 29.952 28.738 -0.244 0.000 1.230 736 Q HN 0.802 nan 8.270 nan 0.000 0.450 737 Q N -0.413 119.134 119.800 -0.421 0.000 2.462 737 Q HA 0.656 4.993 4.340 -0.004 0.000 0.285 737 Q C -0.852 174.865 176.000 -0.470 0.000 1.035 737 Q CA -0.555 55.045 55.803 -0.339 0.000 0.799 737 Q CB 2.670 31.231 28.738 -0.296 0.000 1.452 737 Q HN 0.897 nan 8.270 nan 0.000 0.404 738 G N 0.151 108.786 108.800 -0.275 0.000 2.423 738 G HA2 0.235 4.192 3.960 -0.004 0.000 0.684 738 G HA3 0.235 4.192 3.960 -0.004 0.000 0.684 738 G C -1.192 173.525 174.900 -0.305 0.000 1.309 738 G CA -0.557 44.344 45.100 -0.332 0.000 0.950 738 G HN 0.755 nan 8.290 nan 0.000 0.587 739 A N 1.597 124.146 122.820 -0.453 0.000 2.477 739 A HA 0.682 4.999 4.320 -0.004 0.000 0.246 739 A C -1.246 176.141 177.584 -0.329 0.000 1.078 739 A CA -0.138 51.450 52.037 -0.747 0.000 0.770 739 A CB -0.030 18.648 19.000 -0.536 0.000 1.011 739 A HN 0.753 nan 8.150 nan 0.000 0.494 740 P HA 0.161 nan 4.420 nan 0.000 0.274 740 P C -0.593 176.726 177.300 0.031 0.000 1.231 740 P CA -0.187 62.878 63.100 -0.059 0.000 0.790 740 P CB 0.243 31.933 31.700 -0.017 0.000 0.951 741 N N -1.566 117.184 118.700 0.082 0.000 2.756 741 N HA -0.238 4.499 4.740 -0.004 0.000 0.248 741 N C -0.848 174.757 175.510 0.159 0.000 1.062 741 N CA 0.149 53.269 53.050 0.116 0.000 0.696 741 N CB -2.150 36.399 38.487 0.103 0.000 0.946 741 N HN 0.376 nan 8.380 nan 0.000 0.548 742 F N 1.149 121.089 119.950 -0.017 0.000 2.438 742 F HA 0.296 4.821 4.527 -0.004 0.000 0.360 742 F C 1.541 177.366 175.800 0.042 0.000 1.118 742 F CA -0.441 57.542 58.000 -0.027 0.000 1.164 742 F CB 0.566 39.510 39.000 -0.094 0.000 1.131 742 F HN 0.086 nan 8.300 nan 0.000 0.527 743 S N 5.848 121.389 115.700 -0.264 0.000 2.359 743 S HA -0.264 4.204 4.470 -0.004 0.000 0.223 743 S C 1.892 176.394 174.600 -0.163 0.000 1.039 743 S CA 1.564 59.650 58.200 -0.191 0.000 1.042 743 S CB -0.721 62.355 63.200 -0.208 0.000 0.915 743 S HN 0.918 nan 8.310 nan 0.000 0.439 744 W N 2.646 123.517 121.300 -0.715 0.000 2.302 744 W HA -0.210 4.448 4.660 -0.004 0.000 0.320 744 W C 2.264 178.786 176.519 0.006 0.000 1.241 744 W CA 1.891 58.978 57.345 -0.430 0.000 1.264 744 W CB -1.239 27.777 29.460 -0.740 0.000 1.154 744 W HN 0.289 nan 8.180 nan 0.000 0.483 745 S N 0.636 116.639 115.700 0.506 0.000 2.368 745 S HA -0.081 4.386 4.470 -0.004 0.000 0.224 745 S C 2.177 176.980 174.600 0.339 0.000 1.029 745 S CA 1.719 60.227 58.200 0.512 0.000 0.988 745 S CB -0.896 62.563 63.200 0.433 0.000 0.838 745 S HN 0.367 nan 8.310 nan 0.000 0.462 746 A N 1.756 124.713 122.820 0.228 0.000 1.908 746 A HA 0.006 4.324 4.320 -0.004 0.000 0.218 746 A C 2.356 180.031 177.584 0.152 0.000 1.181 746 A CA 1.848 53.990 52.037 0.175 0.000 0.627 746 A CB -1.168 17.901 19.000 0.114 0.000 0.818 746 A HN 0.518 nan 8.150 nan 0.000 0.445 747 A N -1.074 121.791 122.820 0.075 0.000 1.865 747 A HA -0.234 4.084 4.320 -0.004 0.000 0.217 747 A C 2.062 179.553 177.584 -0.156 0.000 1.191 747 A CA 1.693 53.699 52.037 -0.051 0.000 0.623 747 A CB -0.954 17.919 19.000 -0.212 0.000 0.826 747 A HN 0.687 nan 8.150 nan 0.000 0.444 748 H N -0.801 118.261 119.070 -0.013 0.000 2.502 748 H HA 0.121 4.675 4.556 -0.004 0.000 0.283 748 H C 1.984 177.281 175.328 -0.053 0.000 1.015 748 H CA 1.021 56.963 56.048 -0.177 0.000 1.298 748 H CB -0.071 29.629 29.762 -0.103 0.000 1.411 748 H HN 0.394 nan 8.280 nan 0.000 0.556 749 L N -0.223 121.126 121.223 0.211 0.000 2.109 749 L HA -0.192 4.145 4.340 -0.004 0.000 0.207 749 L C 2.464 179.464 176.870 0.217 0.000 1.086 749 L CA 0.916 55.918 54.840 0.271 0.000 0.760 749 L CB -0.439 41.837 42.059 0.362 0.000 0.910 749 L HN 0.197 nan 8.230 nan 0.000 0.437 750 Y N 0.508 120.863 120.300 0.091 0.000 2.200 750 Y HA -0.229 4.318 4.550 -0.004 0.000 0.290 750 Y C 2.539 178.488 175.900 0.082 0.000 1.137 750 Y CA 1.483 59.639 58.100 0.092 0.000 1.163 750 Y CB -0.128 38.358 38.460 0.043 0.000 0.988 750 Y HN 0.037 nan 8.280 nan 0.000 0.518 751 M N -0.574 118.940 119.600 -0.142 0.000 2.117 751 M HA -0.225 4.253 4.480 -0.004 0.000 0.262 751 M C 2.130 178.370 176.300 -0.100 0.000 1.065 751 M CA 1.659 56.807 55.300 -0.252 0.000 1.114 751 M CB -0.435 31.707 32.600 -0.763 0.000 1.361 751 M HN 0.312 nan 8.290 nan 0.000 0.408 752 L N -1.222 119.944 121.223 -0.096 0.000 2.046 752 L HA -0.237 4.101 4.340 -0.004 0.000 0.208 752 L C 2.608 179.179 176.870 -0.500 0.000 1.077 752 L CA 1.374 56.074 54.840 -0.233 0.000 0.747 752 L CB -0.808 40.882 42.059 -0.616 0.000 0.896 752 L HN 0.285 nan 8.230 nan 0.000 0.432 753 Y N 0.670 120.740 120.300 -0.384 0.000 2.128 753 Y HA -0.307 4.240 4.550 -0.004 0.000 0.284 753 Y C 2.366 178.143 175.900 -0.204 0.000 1.154 753 Y CA 2.129 60.173 58.100 -0.093 0.000 1.149 753 Y CB -0.466 37.965 38.460 -0.048 0.000 0.976 753 Y HN 0.202 nan 8.280 nan 0.000 0.505 754 N N -0.661 117.734 118.700 -0.508 0.000 2.142 754 N HA -0.175 4.562 4.740 -0.004 0.000 0.186 754 N C 0.980 176.248 175.510 -0.404 0.000 1.023 754 N CA 1.394 54.128 53.050 -0.527 0.000 0.852 754 N CB 0.003 38.215 38.487 -0.459 0.000 0.998 754 N HN 0.463 nan 8.380 nan 0.000 0.424 755 D N -0.982 119.205 120.400 -0.354 0.000 2.323 755 D HA 0.004 4.641 4.640 -0.004 0.000 0.218 755 D C 0.768 176.545 176.300 -0.871 0.000 0.973 755 D CA 0.828 54.463 54.000 -0.608 0.000 0.890 755 D CB 0.065 40.430 40.800 -0.726 0.000 1.011 755 D HN 0.315 nan 8.370 nan 0.000 0.499 756 F N -0.655 119.226 119.950 -0.114 0.000 2.819 756 F HA 0.211 4.736 4.527 -0.004 0.000 0.325 756 F C 0.451 176.278 175.800 0.045 0.000 1.041 756 F CA -0.605 57.356 58.000 -0.064 0.000 1.184 756 F CB 0.197 39.156 39.000 -0.067 0.000 1.019 756 F HN -0.288 nan 8.300 nan 0.000 0.590 757 F N 3.604 123.624 119.950 0.117 0.000 2.471 757 F HA 0.482 5.007 4.527 -0.005 0.000 0.353 757 F C 0.722 176.467 175.800 -0.093 0.000 1.113 757 F CA -1.029 56.977 58.000 0.011 0.000 1.262 757 F CB 0.232 39.231 39.000 -0.003 0.000 1.146 757 F HN 0.022 nan 8.300 nan 0.000 0.578 758 R N 1.180 121.734 120.500 0.089 0.000 2.774 758 R HA 0.321 4.659 4.340 -0.004 0.000 0.279 758 R C -1.319 174.951 176.300 -0.050 0.000 1.022 758 R CA -1.148 54.949 56.100 -0.005 0.000 0.855 758 R CB 1.560 31.864 30.300 0.008 0.000 1.279 758 R HN 0.564 nan 8.270 nan 0.000 0.485 759 K N 0.000 120.375 120.400 -0.042 0.000 2.780 759 K HA 0.000 4.317 4.320 -0.004 0.000 0.191 759 K CA 0.000 56.263 56.287 -0.041 0.000 0.838 759 K CB 0.000 32.488 32.500 -0.019 0.000 1.064 759 K HN 0.000 nan 8.250 nan 0.000 0.543