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 2ipy_1_B DATA FIRST_RESID 2 DATA SEQUENCE SNPFAYLAEP LDPAQPGKKF FNLNKLDYSR YGRLPFSIRV LLEAAVRNCD DATA SEQUENCE KFLVKKEDIE NILNWNVTQH MNIEVPFKPA RVILQDFTGV PSVVDFAAMR DATA SEQUENCE DAVKKLGGDP EKINPICPVD LVIDXXXXXX XXXXXXXXXX XXXXXFERNR DATA SEQUENCE ERFEFLKWGS KAFRNMRIIP PGSGIIHQVN LEYLARVVFD QDGYYYPDSL DATA SEQUENCE VGTDSHTTMI DGLGVLGWGV GGIEAEAVML GQPISMVLPQ VIGYRLMGKP DATA SEQUENCE HPLVTSTDIV LTITKHLRQV GVVGKFVEFF GPGVAQLSIA DRATIANMCP DATA SEQUENCE EYGATATFFP VDEVSIKYLV QTGRDESKVK QIRKYLQAVG MFRDYSDPSQ DATA SEQUENCE DPDFTQVVEL DLKTVVPCCS GPKRPQDKVA VSDMKKDFES CLGAKQGFKG DATA SEQUENCE FQVAPDHHND HKTFIYNDSE FTLSHGSVVI AAITSSTNTS NPSVMLGAGL DATA SEQUENCE LAKKAVDAGL NVKPYVKTSL SPGSGVVTYY LRESGVMPYL SQLGFDVXXX DATA SEQUENCE XXXXXXXXXX PLPEPVVEAI TQGDLVAVGV LSGNRNFEGR VHPNTRANYL DATA SEQUENCE ASPPLVIAYA IAGTIRIDFE KEPLGTNAKG QQVFLRDIWP TREEIQAVER DATA SEQUENCE QYVIPGMFTE VYQKIETVNA SXXXXXXXSD KLYLWNPKST YIKSPPFFEN DATA SEQUENCE LTLDLQPPKS IVDAYVLLNL GDSVTTDHIS PAGNIARNSP AARYLTNRGL DATA SEQUENCE TPREFNSYGS RRGNDAIMAR GTFANIRLLN RFLNKQAPQT IHLPSGETLD DATA SEQUENCE VFDAAERYQQ EGHPLIVLAG KEYGSGSSRD WAAKGPFLLG IKAVLAESYE DATA SEQUENCE RIHRSNLVGM GVIPLEYLPG ENADSLGLTG RERYTIIIPE NLTPRMHVQV DATA SEQUENCE KLDTGKTFQA VIRFDTDVEL TYFHNGGILN YMIRKMAK 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.610 174.600 0.016 0.000 1.055 2 S CA 0.000 58.206 58.200 0.010 0.000 1.107 2 S CB 0.000 63.202 63.200 0.003 0.000 0.593 3 N N 3.879 122.603 118.700 0.040 0.000 2.439 3 N HA 0.316 5.056 4.740 -0.000 0.000 0.243 3 N C -1.425 174.105 175.510 0.033 0.000 1.088 3 N CA -1.865 51.224 53.050 0.065 0.000 0.940 3 N CB 1.282 39.849 38.487 0.132 0.000 1.180 3 N HN 0.469 nan 8.380 nan 0.000 0.505 4 P HA -0.087 nan 4.420 nan 0.000 0.229 4 P C 0.167 177.270 177.300 -0.328 0.000 1.150 4 P CA 0.983 63.935 63.100 -0.247 0.000 0.765 4 P CB -0.060 31.382 31.700 -0.430 0.000 0.783 5 F N -1.214 118.775 119.950 0.066 0.000 2.683 5 F HA 0.420 4.947 4.527 -0.000 0.000 0.306 5 F C 2.190 177.984 175.800 -0.011 0.000 1.102 5 F CA -0.327 57.622 58.000 -0.085 0.000 1.244 5 F CB -0.179 38.770 39.000 -0.086 0.000 1.029 5 F HN -0.148 nan 8.300 nan 0.000 0.545 6 A N 0.105 123.077 122.820 0.253 0.000 2.125 6 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 6 A C 1.897 179.501 177.584 0.033 0.000 1.156 6 A CA 1.423 53.581 52.037 0.202 0.000 0.671 6 A CB -1.196 17.904 19.000 0.167 0.000 0.794 6 A HN 0.647 nan 8.150 nan 0.000 0.459 7 Y N -0.854 119.488 120.300 0.069 0.000 2.403 7 Y HA 0.012 4.562 4.550 -0.000 0.000 0.291 7 Y C 1.352 177.234 175.900 -0.029 0.000 1.143 7 Y CA 1.069 59.174 58.100 0.008 0.000 1.257 7 Y CB -0.731 37.742 38.460 0.023 0.000 0.984 7 Y HN 0.167 nan 8.280 nan 0.000 0.550 8 L N 0.672 121.684 121.223 -0.351 0.000 2.509 8 L HA 0.288 4.628 4.340 -0.000 0.000 0.222 8 L C 1.400 178.021 176.870 -0.415 0.000 1.123 8 L CA 0.104 54.755 54.840 -0.314 0.000 0.856 8 L CB -0.447 41.424 42.059 -0.313 0.000 0.985 8 L HN 0.305 nan 8.230 nan 0.000 0.456 9 A N 1.597 124.064 122.820 -0.588 0.000 2.409 9 A HA 0.386 4.706 4.320 -0.000 0.000 0.267 9 A C 0.099 177.368 177.584 -0.526 0.000 1.127 9 A CA -0.096 51.450 52.037 -0.818 0.000 0.795 9 A CB -0.065 18.399 19.000 -0.894 0.000 1.061 9 A HN 0.432 nan 8.150 nan 0.000 0.502 10 E N 2.826 122.650 120.200 -0.627 0.000 2.429 10 E HA 0.672 5.021 4.350 -0.000 0.000 0.276 10 E C -3.143 173.195 176.600 -0.436 0.000 0.953 10 E CA -2.340 53.795 56.400 -0.442 0.000 0.787 10 E CB 2.038 31.521 29.700 -0.361 0.000 1.307 10 E HN 0.350 nan 8.360 nan 0.000 0.458 11 P HA 0.006 nan 4.420 nan 0.000 0.274 11 P C 0.219 177.592 177.300 0.121 0.000 1.231 11 P CA -0.506 62.557 63.100 -0.062 0.000 0.790 11 P CB 1.361 33.039 31.700 -0.035 0.000 0.951 12 L N 2.488 123.903 121.223 0.321 0.000 1.982 12 L HA 0.067 4.407 4.340 -0.000 0.000 0.206 12 L C 0.599 177.592 176.870 0.205 0.000 1.078 12 L CA 1.933 57.027 54.840 0.423 0.000 0.749 12 L CB -1.126 41.120 42.059 0.311 0.000 0.894 12 L HN 0.320 nan 8.230 nan 0.000 0.436 13 D N -0.693 119.794 120.400 0.145 0.000 2.428 13 D HA 0.214 4.854 4.640 -0.000 0.000 0.221 13 D C -1.826 174.512 176.300 0.063 0.000 1.123 13 D CA -2.268 51.782 54.000 0.082 0.000 0.869 13 D CB 1.312 42.152 40.800 0.066 0.000 1.032 13 D HN 0.049 nan 8.370 nan 0.000 0.506 14 P HA -0.261 nan 4.420 nan 0.000 0.219 14 P C 0.862 178.172 177.300 0.016 0.000 1.151 14 P CA 1.478 64.594 63.100 0.026 0.000 0.850 14 P CB 0.208 31.922 31.700 0.023 0.000 0.784 15 A N -1.243 121.589 122.820 0.020 0.000 2.014 15 A HA -0.135 4.184 4.320 -0.000 0.000 0.218 15 A C 1.746 179.337 177.584 0.011 0.000 1.163 15 A CA 1.099 53.144 52.037 0.013 0.000 0.652 15 A CB -0.738 18.270 19.000 0.013 0.000 0.808 15 A HN 0.142 nan 8.150 nan 0.000 0.449 16 Q N 0.110 119.922 119.800 0.021 0.000 2.788 16 Q HA 0.249 4.588 4.340 -0.000 0.000 0.278 16 Q C -1.941 174.061 176.000 0.004 0.000 1.126 16 Q CA -2.517 53.295 55.803 0.016 0.000 1.017 16 Q CB 0.879 29.638 28.738 0.034 0.000 1.219 16 Q HN 0.293 nan 8.270 nan 0.000 0.503 17 P HA -0.171 nan 4.420 nan 0.000 0.220 17 P C 0.923 178.182 177.300 -0.068 0.000 1.144 17 P CA 1.369 64.446 63.100 -0.038 0.000 0.800 17 P CB 0.266 31.944 31.700 -0.037 0.000 0.772 18 G N 0.949 109.712 108.800 -0.061 0.000 2.637 18 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 18 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 18 G C 0.377 175.187 174.900 -0.150 0.000 1.289 18 G CA 0.406 45.451 45.100 -0.092 0.000 0.816 18 G HN 0.186 nan 8.290 nan 0.000 0.580 19 K N 1.657 121.984 120.400 -0.122 0.000 2.491 19 K HA 0.205 4.525 4.320 -0.000 0.000 0.279 19 K C 0.416 176.957 176.600 -0.099 0.000 1.026 19 K CA 0.630 56.806 56.287 -0.186 0.000 1.070 19 K CB 0.461 32.886 32.500 -0.124 0.000 0.887 19 K HN 0.653 nan 8.250 nan 0.000 0.481 20 K N 1.522 121.786 120.400 -0.228 0.000 2.430 20 K HA 0.702 5.022 4.320 -0.000 0.000 0.268 20 K C -0.787 175.858 176.600 0.075 0.000 1.043 20 K CA -1.077 55.128 56.287 -0.136 0.000 0.899 20 K CB 1.484 33.726 32.500 -0.430 0.000 1.472 20 K HN 0.347 nan 8.250 nan 0.000 0.451 21 F N -1.796 118.150 119.950 -0.006 0.000 2.686 21 F HA 0.606 5.132 4.527 -0.000 0.000 0.311 21 F C -1.783 174.060 175.800 0.072 0.000 1.128 21 F CA -1.483 56.629 58.000 0.187 0.000 0.946 21 F CB 0.916 40.103 39.000 0.311 0.000 1.336 21 F HN 0.284 nan 8.300 nan 0.000 0.457 22 F N 2.155 122.290 119.950 0.309 0.000 2.404 22 F HA 0.322 4.849 4.527 -0.000 0.000 0.358 22 F C 0.455 176.395 175.800 0.233 0.000 1.120 22 F CA -0.450 57.603 58.000 0.089 0.000 1.144 22 F CB 0.702 39.747 39.000 0.076 0.000 1.133 22 F HN 0.538 nan 8.300 nan 0.000 0.495 23 N N 3.809 122.539 118.700 0.049 0.000 2.448 23 N HA 0.110 4.850 4.740 -0.000 0.000 0.250 23 N C 0.610 176.125 175.510 0.008 0.000 1.136 23 N CA 0.002 53.189 53.050 0.229 0.000 0.953 23 N CB 0.402 38.914 38.487 0.041 0.000 1.251 23 N HN 0.472 nan 8.380 nan 0.000 0.502 24 L N 2.540 123.697 121.223 -0.110 0.000 2.376 24 L HA 0.028 4.368 4.340 -0.000 0.000 0.219 24 L C 1.975 178.465 176.870 -0.633 0.000 1.133 24 L CA 0.659 55.185 54.840 -0.523 0.000 0.816 24 L CB -0.600 40.855 42.059 -1.007 0.000 0.933 24 L HN 0.584 nan 8.230 nan 0.000 0.449 25 N N 0.372 118.854 118.700 -0.363 0.000 2.043 25 N HA -0.206 4.534 4.740 -0.000 0.000 0.193 25 N C 1.746 177.106 175.510 -0.250 0.000 1.037 25 N CA 1.337 54.197 53.050 -0.318 0.000 0.851 25 N CB -0.067 38.186 38.487 -0.389 0.000 1.027 25 N HN 0.385 nan 8.380 nan 0.000 0.422 26 K N 0.752 121.068 120.400 -0.141 0.000 2.152 26 K HA -0.122 4.197 4.320 -0.000 0.000 0.206 26 K C 1.980 178.607 176.600 0.045 0.000 1.048 26 K CA 0.410 56.685 56.287 -0.020 0.000 0.933 26 K CB -0.226 32.298 32.500 0.040 0.000 0.721 26 K HN 0.039 nan 8.250 nan 0.000 0.447 27 L N 1.323 122.533 121.223 -0.021 0.000 2.021 27 L HA -0.218 4.122 4.340 -0.000 0.000 0.215 27 L C 0.206 177.124 176.870 0.079 0.000 1.074 27 L CA 1.966 56.815 54.840 0.015 0.000 0.760 27 L CB 0.031 42.005 42.059 -0.142 0.000 0.889 27 L HN 0.217 nan 8.230 nan 0.000 0.433 28 D N -3.693 116.755 120.400 0.081 0.000 3.222 28 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 28 D C 0.593 177.040 176.300 0.244 0.000 1.360 28 D CA -0.310 53.779 54.000 0.148 0.000 1.388 28 D CB -1.100 39.776 40.800 0.127 0.000 1.213 28 D HN 0.306 nan 8.370 nan 0.000 0.717 29 Y N 1.204 121.571 120.300 0.112 0.000 2.173 29 Y HA -0.353 4.197 4.550 -0.000 0.000 0.282 29 Y C 2.363 178.326 175.900 0.106 0.000 1.192 29 Y CA 1.745 59.925 58.100 0.135 0.000 1.176 29 Y CB 0.326 38.848 38.460 0.103 0.000 0.969 29 Y HN 0.441 nan 8.280 nan 0.000 0.519 30 S N -0.161 115.671 115.700 0.219 0.000 2.419 30 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 30 S C 1.647 176.302 174.600 0.093 0.000 1.016 30 S CA 1.179 59.434 58.200 0.091 0.000 0.974 30 S CB -0.237 63.006 63.200 0.073 0.000 0.786 30 S HN 0.482 nan 8.310 nan 0.000 0.492 31 R N -1.640 118.948 120.500 0.147 0.000 2.221 31 R HA 0.253 4.593 4.340 -0.000 0.000 0.195 31 R C 2.022 178.419 176.300 0.162 0.000 0.956 31 R CA 0.404 56.583 56.100 0.131 0.000 1.064 31 R CB -0.392 29.986 30.300 0.129 0.000 1.049 31 R HN 0.425 nan 8.270 nan 0.000 0.534 32 Y N 1.425 121.767 120.300 0.070 0.000 2.181 32 Y HA -0.061 4.488 4.550 -0.000 0.000 0.288 32 Y C 2.081 177.981 175.900 0.000 0.000 1.146 32 Y CA 1.669 59.788 58.100 0.031 0.000 1.164 32 Y CB -0.654 37.838 38.460 0.053 0.000 0.982 32 Y HN 0.022 nan 8.280 nan 0.000 0.515 33 G N -0.293 108.509 108.800 0.004 0.000 2.559 33 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.216 33 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.216 33 G C 1.646 176.436 174.900 -0.184 0.000 1.126 33 G CA 0.204 45.215 45.100 -0.148 0.000 0.778 33 G HN 0.198 nan 8.290 nan 0.000 0.543 34 R N -0.471 119.951 120.500 -0.129 0.000 2.362 34 R HA 0.300 4.640 4.340 -0.000 0.000 0.227 34 R C 0.387 176.579 176.300 -0.180 0.000 0.905 34 R CA -0.214 55.808 56.100 -0.130 0.000 1.067 34 R CB -0.066 30.206 30.300 -0.047 0.000 1.078 34 R HN 0.307 nan 8.270 nan 0.000 0.516 35 L N 2.259 123.341 121.223 -0.234 0.000 2.395 35 L HA 0.285 4.625 4.340 -0.000 0.000 0.269 35 L C -2.094 174.529 176.870 -0.410 0.000 1.133 35 L CA -1.948 52.703 54.840 -0.314 0.000 0.812 35 L CB 0.552 42.462 42.059 -0.250 0.000 1.125 35 L HN -0.287 nan 8.230 nan 0.000 0.452 36 P HA 0.017 nan 4.420 nan 0.000 0.269 36 P C 0.189 177.458 177.300 -0.052 0.000 1.209 36 P CA -0.114 62.863 63.100 -0.205 0.000 0.776 36 P CB 0.376 31.924 31.700 -0.254 0.000 0.876 37 F N 0.812 120.740 119.950 -0.036 0.000 2.269 37 F HA -0.194 4.333 4.527 -0.000 0.000 0.301 37 F C 2.426 178.186 175.800 -0.067 0.000 1.082 37 F CA 1.970 59.983 58.000 0.022 0.000 1.360 37 F CB -1.211 37.912 39.000 0.206 0.000 1.041 37 F HN 0.285 nan 8.300 nan 0.000 0.512 38 S N 0.109 115.805 115.700 -0.007 0.000 2.368 38 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 38 S C 2.046 176.532 174.600 -0.190 0.000 1.029 38 S CA 1.094 59.034 58.200 -0.433 0.000 0.988 38 S CB -0.768 62.272 63.200 -0.267 0.000 0.838 38 S HN 0.210 nan 8.310 nan 0.000 0.462 39 I N 2.718 123.188 120.570 -0.166 0.000 2.361 39 I HA -0.096 4.074 4.170 -0.000 0.000 0.251 39 I C 2.743 178.782 176.117 -0.129 0.000 1.133 39 I CA 1.177 62.346 61.300 -0.218 0.000 1.413 39 I CB -1.331 36.372 38.000 -0.495 0.000 1.073 39 I HN 0.360 nan 8.210 nan 0.000 0.424 40 R N 0.243 120.669 120.500 -0.124 0.000 2.073 40 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 40 R C 2.344 178.657 176.300 0.022 0.000 1.134 40 R CA 1.080 57.173 56.100 -0.011 0.000 0.952 40 R CB -0.596 29.644 30.300 -0.101 0.000 0.850 40 R HN 0.165 nan 8.270 nan 0.000 0.433 41 V N 1.730 121.632 119.914 -0.019 0.000 2.453 41 V HA -0.247 3.873 4.120 -0.000 0.000 0.252 41 V C 2.230 178.342 176.094 0.031 0.000 1.068 41 V CA 1.649 63.965 62.300 0.027 0.000 1.070 41 V CB -0.441 31.356 31.823 -0.045 0.000 0.664 41 V HN 0.295 nan 8.190 nan 0.000 0.461 42 L N -1.305 119.903 121.223 -0.025 0.000 2.049 42 L HA -0.106 4.234 4.340 -0.000 0.000 0.203 42 L C 2.425 179.300 176.870 0.009 0.000 1.074 42 L CA 1.047 55.883 54.840 -0.006 0.000 0.749 42 L CB -0.627 41.401 42.059 -0.051 0.000 0.907 42 L HN 0.317 nan 8.230 nan 0.000 0.439 43 L N 0.351 121.568 121.223 -0.009 0.000 2.051 43 L HA -0.270 4.070 4.340 -0.000 0.000 0.214 43 L C 2.591 179.413 176.870 -0.079 0.000 1.076 43 L CA 1.893 56.708 54.840 -0.041 0.000 0.758 43 L CB -0.776 41.278 42.059 -0.009 0.000 0.890 43 L HN 0.292 nan 8.230 nan 0.000 0.433 44 E N -0.107 120.083 120.200 -0.016 0.000 2.051 44 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 44 E C 2.059 178.612 176.600 -0.078 0.000 0.991 44 E CA 1.465 57.860 56.400 -0.009 0.000 0.799 44 E CB -0.203 29.575 29.700 0.131 0.000 0.748 44 E HN 0.586 nan 8.360 nan 0.000 0.449 45 A N 1.195 124.005 122.820 -0.018 0.000 1.933 45 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 45 A C 2.436 179.949 177.584 -0.119 0.000 1.175 45 A CA 2.246 54.252 52.037 -0.050 0.000 0.628 45 A CB -0.684 18.365 19.000 0.082 0.000 0.814 45 A HN 0.367 nan 8.150 nan 0.000 0.444 46 A N -0.703 122.063 122.820 -0.089 0.000 1.898 46 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 46 A C 2.227 179.696 177.584 -0.193 0.000 1.181 46 A CA 1.622 53.598 52.037 -0.101 0.000 0.620 46 A CB -0.823 18.138 19.000 -0.065 0.000 0.819 46 A HN 0.343 nan 8.150 nan 0.000 0.442 47 V N 0.296 120.023 119.914 -0.313 0.000 2.295 47 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 47 V C 2.692 178.457 176.094 -0.549 0.000 1.049 47 V CA 2.318 64.333 62.300 -0.475 0.000 1.024 47 V CB -0.775 30.730 31.823 -0.529 0.000 0.648 47 V HN 0.731 nan 8.190 nan 0.000 0.447 48 R N 0.467 120.504 120.500 -0.771 0.000 2.115 48 R HA -0.092 4.248 4.340 -0.000 0.000 0.230 48 R C 1.370 177.312 176.300 -0.596 0.000 1.111 48 R CA 1.605 57.012 56.100 -1.156 0.000 0.976 48 R CB -0.166 29.579 30.300 -0.925 0.000 0.870 48 R HN 0.493 nan 8.270 nan 0.000 0.445 49 N N 0.329 118.807 118.700 -0.369 0.000 2.320 49 N HA 0.016 4.756 4.740 -0.000 0.000 0.237 49 N C -0.902 174.542 175.510 -0.109 0.000 1.129 49 N CA -0.042 52.871 53.050 -0.228 0.000 0.854 49 N CB 0.381 38.746 38.487 -0.203 0.000 1.083 49 N HN 0.158 nan 8.380 nan 0.000 0.504 50 C N 2.485 121.749 119.300 -0.060 0.000 2.566 50 C HA 0.125 4.585 4.460 -0.000 0.000 0.393 50 C C 0.652 175.671 174.990 0.049 0.000 1.309 50 C CA -0.284 58.770 59.018 0.059 0.000 1.801 50 C CB -0.630 27.258 27.740 0.247 0.000 2.493 50 C HN 0.462 nan 8.230 nan 0.000 0.575 51 D N 3.097 123.533 120.400 0.060 0.000 2.760 51 D HA 0.063 4.703 4.640 -0.000 0.000 0.314 51 D C 0.471 176.838 176.300 0.112 0.000 1.464 51 D CA -0.334 53.710 54.000 0.072 0.000 0.797 51 D CB -0.548 40.301 40.800 0.081 0.000 1.149 51 D HN 0.728 nan 8.370 nan 0.000 0.455 52 K N -0.151 120.304 120.400 0.093 0.000 2.884 52 K HA -0.269 4.051 4.320 -0.000 0.000 0.247 52 K C -0.235 176.484 176.600 0.198 0.000 0.951 52 K CA 1.113 57.461 56.287 0.100 0.000 0.706 52 K CB -1.412 31.117 32.500 0.050 0.000 1.240 52 K HN 0.525 nan 8.250 nan 0.000 0.484 53 F N -1.433 118.512 119.950 -0.008 0.000 1.855 53 F HA 0.154 4.680 4.527 -0.000 0.000 0.228 53 F C 1.378 177.164 175.800 -0.023 0.000 1.236 53 F CA -0.565 57.422 58.000 -0.021 0.000 1.308 53 F CB 0.121 39.114 39.000 -0.012 0.000 1.877 53 F HN -0.119 nan 8.300 nan 0.000 0.272 54 L N 1.179 122.292 121.223 -0.183 0.000 2.291 54 L HA 0.061 4.401 4.340 -0.000 0.000 0.214 54 L C -0.480 176.317 176.870 -0.122 0.000 1.120 54 L CA 0.460 55.133 54.840 -0.277 0.000 0.799 54 L CB 0.086 42.074 42.059 -0.119 0.000 0.925 54 L HN 0.005 nan 8.230 nan 0.000 0.446 55 V N 0.290 120.184 119.914 -0.033 0.000 2.532 55 V HA 0.236 4.356 4.120 -0.000 0.000 0.294 55 V C -0.430 175.693 176.094 0.048 0.000 1.036 55 V CA -0.919 61.382 62.300 0.002 0.000 0.876 55 V CB 1.770 33.594 31.823 0.001 0.000 1.012 55 V HN 0.089 nan 8.190 nan 0.000 0.432 56 K N 2.657 123.088 120.400 0.052 0.000 2.095 56 K HA 0.408 4.728 4.320 -0.000 0.000 0.252 56 K C 1.060 177.741 176.600 0.135 0.000 0.977 56 K CA -0.815 55.520 56.287 0.081 0.000 0.900 56 K CB 1.605 34.139 32.500 0.056 0.000 1.060 56 K HN 0.704 nan 8.250 nan 0.000 0.449 57 K N 0.735 121.230 120.400 0.159 0.000 2.362 57 K HA -0.133 4.187 4.320 -0.000 0.000 0.200 57 K C 0.698 177.428 176.600 0.216 0.000 1.046 57 K CA 1.414 57.875 56.287 0.290 0.000 0.952 57 K CB 0.106 32.685 32.500 0.132 0.000 0.753 57 K HN 0.486 nan 8.250 nan 0.000 0.466 58 E N 1.113 121.387 120.200 0.123 0.000 2.268 58 E HA -0.140 4.209 4.350 -0.000 0.000 0.195 58 E C 1.129 177.777 176.600 0.080 0.000 0.995 58 E CA 0.888 57.342 56.400 0.091 0.000 0.836 58 E CB 0.029 29.764 29.700 0.058 0.000 0.763 58 E HN 0.403 nan 8.360 nan 0.000 0.491 59 D N 0.895 121.343 120.400 0.079 0.000 2.077 59 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 59 D C 1.922 178.249 176.300 0.046 0.000 0.986 59 D CA 0.834 54.866 54.000 0.055 0.000 0.829 59 D CB -0.184 40.644 40.800 0.046 0.000 0.983 59 D HN 0.067 nan 8.370 nan 0.000 0.453 60 I N 1.535 122.132 120.570 0.045 0.000 2.194 60 I HA -0.224 3.945 4.170 -0.000 0.000 0.246 60 I C 2.268 178.385 176.117 0.001 0.000 1.093 60 I CA 1.090 62.364 61.300 -0.044 0.000 1.355 60 I CB -0.449 37.420 38.000 -0.218 0.000 1.046 60 I HN -0.017 nan 8.210 nan 0.000 0.413 61 E N 0.802 121.047 120.200 0.075 0.000 2.058 61 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 61 E C 1.949 178.583 176.600 0.057 0.000 0.997 61 E CA 1.422 57.870 56.400 0.081 0.000 0.801 61 E CB -0.302 29.458 29.700 0.099 0.000 0.746 61 E HN 0.481 nan 8.360 nan 0.000 0.450 62 N N 0.523 119.252 118.700 0.050 0.000 2.166 62 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 62 N C 2.139 177.683 175.510 0.056 0.000 1.019 62 N CA 1.004 54.078 53.050 0.040 0.000 0.856 62 N CB -0.346 38.159 38.487 0.030 0.000 0.993 62 N HN 0.287 nan 8.380 nan 0.000 0.426 63 I N 0.243 120.847 120.570 0.057 0.000 2.252 63 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 63 I C 2.180 178.368 176.117 0.119 0.000 1.102 63 I CA 0.504 61.854 61.300 0.084 0.000 1.385 63 I CB -0.191 37.831 38.000 0.036 0.000 1.064 63 I HN 0.044 nan 8.210 nan 0.000 0.414 64 L N 1.261 122.530 121.223 0.077 0.000 2.042 64 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 64 L C 1.717 178.668 176.870 0.135 0.000 1.076 64 L CA 1.902 56.799 54.840 0.096 0.000 0.749 64 L CB -0.788 41.304 42.059 0.055 0.000 0.893 64 L HN 0.196 nan 8.230 nan 0.000 0.432 65 N N -0.975 117.788 118.700 0.105 0.000 2.441 65 N HA -0.147 4.593 4.740 -0.000 0.000 0.225 65 N C 1.117 176.672 175.510 0.075 0.000 1.208 65 N CA 0.074 53.173 53.050 0.082 0.000 0.847 65 N CB -0.528 37.984 38.487 0.042 0.000 1.121 65 N HN 0.516 nan 8.380 nan 0.000 0.479 66 W N 0.701 121.981 121.300 -0.032 0.000 2.305 66 W HA -0.278 4.382 4.660 -0.000 0.000 0.308 66 W C 1.781 178.255 176.519 -0.076 0.000 1.226 66 W CA 1.918 59.225 57.345 -0.063 0.000 1.253 66 W CB -0.615 28.804 29.460 -0.068 0.000 1.146 66 W HN 0.322 nan 8.180 nan 0.000 0.507 67 N N -0.873 117.769 118.700 -0.097 0.000 2.192 67 N HA -0.226 4.514 4.740 -0.000 0.000 0.188 67 N C 1.354 176.625 175.510 -0.399 0.000 1.013 67 N CA 1.934 54.766 53.050 -0.362 0.000 0.863 67 N CB -0.122 38.362 38.487 -0.006 0.000 0.990 67 N HN 0.151 nan 8.380 nan 0.000 0.430 68 V N -0.229 119.536 119.914 -0.248 0.000 2.484 68 V HA -0.112 4.008 4.120 -0.000 0.000 0.236 68 V C 2.423 178.387 176.094 -0.216 0.000 1.062 68 V CA 1.669 63.874 62.300 -0.159 0.000 1.081 68 V CB -0.763 31.018 31.823 -0.069 0.000 0.751 68 V HN 0.484 nan 8.190 nan 0.000 0.484 69 T N 1.228 115.663 114.554 -0.197 0.000 2.653 69 T HA -0.441 3.908 4.350 -0.000 0.000 0.267 69 T C 1.844 176.373 174.700 -0.284 0.000 1.037 69 T CA 2.434 64.428 62.100 -0.176 0.000 1.159 69 T CB -0.965 67.837 68.868 -0.110 0.000 0.859 69 T HN 0.720 nan 8.240 nan 0.000 0.449 70 Q N 0.972 120.434 119.800 -0.564 0.000 2.242 70 Q HA -0.294 4.046 4.340 -0.000 0.000 0.211 70 Q C 1.728 177.400 176.000 -0.546 0.000 0.992 70 Q CA 2.120 57.501 55.803 -0.704 0.000 0.889 70 Q CB -0.792 27.148 28.738 -1.330 0.000 0.913 70 Q HN 0.676 nan 8.270 nan 0.000 0.422 71 H N -0.746 118.168 119.070 -0.259 0.000 2.526 71 H HA 0.285 4.841 4.556 -0.000 0.000 0.274 71 H C 0.565 175.825 175.328 -0.114 0.000 0.999 71 H CA 0.426 56.374 56.048 -0.167 0.000 1.157 71 H CB 0.335 30.002 29.762 -0.158 0.000 1.407 71 H HN 0.424 nan 8.280 nan 0.000 0.568 72 M N -0.370 119.210 119.600 -0.034 0.000 2.412 72 M HA 0.102 4.582 4.480 -0.000 0.000 0.315 72 M C -0.214 176.068 176.300 -0.029 0.000 1.092 72 M CA -0.266 55.020 55.300 -0.022 0.000 0.974 72 M CB 0.243 32.827 32.600 -0.027 0.000 1.437 72 M HN -0.099 nan 8.290 nan 0.000 0.524 73 N N 3.154 121.828 118.700 -0.044 0.000 2.650 73 N HA -0.161 4.579 4.740 -0.000 0.000 0.272 73 N C -0.898 174.596 175.510 -0.026 0.000 1.058 73 N CA 0.628 53.657 53.050 -0.036 0.000 0.765 73 N CB -0.945 37.531 38.487 -0.017 0.000 0.902 73 N HN 0.654 nan 8.380 nan 0.000 0.551 74 I N -2.699 117.851 120.570 -0.034 0.000 2.493 74 I HA 0.500 4.670 4.170 -0.000 0.000 0.298 74 I C 0.280 176.393 176.117 -0.007 0.000 0.998 74 I CA -0.932 60.358 61.300 -0.016 0.000 1.137 74 I CB 1.606 39.596 38.000 -0.016 0.000 1.310 74 I HN -0.111 nan 8.210 nan 0.000 0.445 75 E N 5.341 125.545 120.200 0.006 0.000 2.344 75 E HA 0.327 4.677 4.350 -0.000 0.000 0.270 75 E C -0.467 176.148 176.600 0.025 0.000 1.021 75 E CA -0.105 56.307 56.400 0.019 0.000 0.887 75 E CB 1.997 31.711 29.700 0.023 0.000 0.997 75 E HN 0.611 nan 8.360 nan 0.000 0.429 76 V N 0.303 120.241 119.914 0.040 0.000 2.876 76 V HA 0.645 4.764 4.120 -0.000 0.000 0.312 76 V C -2.628 173.518 176.094 0.086 0.000 1.085 76 V CA -2.517 59.814 62.300 0.051 0.000 0.945 76 V CB 2.183 34.033 31.823 0.045 0.000 1.017 76 V HN 0.440 nan 8.190 nan 0.000 0.428 77 P HA 0.366 nan 4.420 nan 0.000 0.285 77 P C -1.438 175.986 177.300 0.207 0.000 1.259 77 P CA -0.022 63.144 63.100 0.109 0.000 0.794 77 P CB 1.281 33.010 31.700 0.048 0.000 0.940 78 F N 3.749 123.722 119.950 0.038 0.000 2.460 78 F HA 0.492 5.019 4.527 -0.000 0.000 0.341 78 F C -0.377 175.414 175.800 -0.015 0.000 1.130 78 F CA -1.855 56.167 58.000 0.038 0.000 0.962 78 F CB 1.672 40.746 39.000 0.124 0.000 1.171 78 F HN 0.161 nan 8.300 nan 0.000 0.436 79 K N 8.963 129.315 120.400 -0.080 0.000 2.419 79 K HA 0.424 4.744 4.320 -0.000 0.000 0.244 79 K C -2.610 173.737 176.600 -0.421 0.000 1.045 79 K CA -2.121 53.994 56.287 -0.287 0.000 1.004 79 K CB 0.588 32.997 32.500 -0.151 0.000 1.376 79 K HN 0.327 nan 8.250 nan 0.000 0.460 80 P HA -0.026 nan 4.420 nan 0.000 0.270 80 P C -0.105 177.015 177.300 -0.301 0.000 1.223 80 P CA 0.018 62.759 63.100 -0.599 0.000 0.785 80 P CB 1.389 32.635 31.700 -0.757 0.000 0.923 81 A N 2.500 125.202 122.820 -0.198 0.000 2.123 81 A HA 0.036 4.356 4.320 -0.000 0.000 0.214 81 A C 1.090 178.534 177.584 -0.233 0.000 1.152 81 A CA 0.735 52.612 52.037 -0.267 0.000 0.728 81 A CB -0.344 18.410 19.000 -0.411 0.000 0.814 81 A HN 0.740 nan 8.150 nan 0.000 0.464 82 R N -3.715 116.711 120.500 -0.124 0.000 2.752 82 R HA 0.684 5.024 4.340 -0.000 0.000 0.277 82 R C -2.072 174.190 176.300 -0.064 0.000 1.024 82 R CA -0.755 55.322 56.100 -0.037 0.000 0.866 82 R CB 1.011 31.379 30.300 0.113 0.000 1.278 82 R HN -0.063 nan 8.270 nan 0.000 0.473 83 V N 1.401 121.291 119.914 -0.040 0.000 2.760 83 V HA 0.531 4.651 4.120 -0.000 0.000 0.309 83 V C -0.734 175.353 176.094 -0.011 0.000 1.077 83 V CA -0.742 61.530 62.300 -0.045 0.000 0.910 83 V CB 2.162 33.948 31.823 -0.062 0.000 1.008 83 V HN 0.568 nan 8.190 nan 0.000 0.424 84 I N 5.284 125.858 120.570 0.006 0.000 2.406 84 I HA 0.454 4.623 4.170 -0.000 0.000 0.290 84 I C -0.855 175.287 176.117 0.042 0.000 0.999 84 I CA -0.497 60.823 61.300 0.034 0.000 1.124 84 I CB 1.690 39.726 38.000 0.061 0.000 1.289 84 I HN 0.327 nan 8.210 nan 0.000 0.441 85 L N 6.307 127.555 121.223 0.043 0.000 2.301 85 L HA 0.350 4.689 4.340 -0.000 0.000 0.278 85 L C -0.103 176.800 176.870 0.054 0.000 1.022 85 L CA -0.662 54.210 54.840 0.052 0.000 0.854 85 L CB 1.189 43.280 42.059 0.053 0.000 1.226 85 L HN 0.546 nan 8.230 nan 0.000 0.429 86 Q N 3.317 123.152 119.800 0.059 0.000 2.337 86 Q HA 0.053 4.393 4.340 -0.000 0.000 0.270 86 Q C 0.304 176.301 176.000 -0.006 0.000 1.002 86 Q CA 0.709 56.537 55.803 0.040 0.000 0.888 86 Q CB 0.516 29.278 28.738 0.041 0.000 1.222 86 Q HN 0.601 nan 8.270 nan 0.000 0.400 87 D N 1.784 122.133 120.400 -0.085 0.000 3.740 87 D HA -0.342 4.298 4.640 -0.000 0.000 0.147 87 D C 0.172 176.268 176.300 -0.340 0.000 0.885 87 D CA 1.966 55.809 54.000 -0.261 0.000 1.051 87 D CB -0.970 39.756 40.800 -0.123 0.000 0.480 87 D HN 0.660 nan 8.370 nan 0.000 0.469 88 F N 0.784 120.802 119.950 0.113 0.000 2.668 88 F HA 0.171 4.698 4.527 -0.000 0.000 0.297 88 F C 2.123 178.008 175.800 0.142 0.000 1.124 88 F CA 0.652 58.733 58.000 0.137 0.000 1.353 88 F CB -0.127 38.953 39.000 0.134 0.000 0.992 88 F HN 0.215 nan 8.300 nan 0.000 0.524 89 T N -3.610 111.076 114.554 0.220 0.000 3.035 89 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 89 T C 2.114 176.928 174.700 0.190 0.000 1.109 89 T CA 1.127 63.342 62.100 0.193 0.000 1.119 89 T CB -0.304 68.643 68.868 0.132 0.000 0.900 89 T HN 0.326 nan 8.240 nan 0.000 0.503 90 G N 0.452 109.367 108.800 0.192 0.000 2.985 90 G HA2 0.217 4.176 3.960 -0.000 0.000 0.209 90 G HA3 0.217 4.176 3.960 -0.000 0.000 0.209 90 G C 1.331 176.388 174.900 0.263 0.000 1.165 90 G CA 0.155 45.366 45.100 0.184 0.000 0.776 90 G HN 0.437 nan 8.290 nan 0.000 0.541 91 V N 2.388 122.494 119.914 0.321 0.000 2.255 91 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 91 V C 0.719 177.021 176.094 0.348 0.000 1.051 91 V CA 2.452 64.981 62.300 0.382 0.000 1.018 91 V CB -0.799 31.222 31.823 0.330 0.000 0.641 91 V HN 0.314 nan 8.190 nan 0.000 0.445 92 P HA -0.132 nan 4.420 nan 0.000 0.218 92 P C 1.885 179.335 177.300 0.250 0.000 1.149 92 P CA 2.197 65.468 63.100 0.285 0.000 0.817 92 P CB -0.132 31.739 31.700 0.286 0.000 0.785 93 S N -0.741 115.098 115.700 0.232 0.000 2.395 93 S HA -0.042 4.428 4.470 -0.000 0.000 0.225 93 S C 2.147 176.966 174.600 0.364 0.000 1.027 93 S CA 0.759 59.105 58.200 0.243 0.000 0.965 93 S CB -1.647 61.675 63.200 0.205 0.000 0.812 93 S HN -0.050 nan 8.310 nan 0.000 0.482 94 V N 1.913 122.041 119.914 0.355 0.000 2.343 94 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 94 V C 2.653 179.120 176.094 0.622 0.000 1.051 94 V CA 1.540 64.069 62.300 0.382 0.000 1.036 94 V CB -0.721 31.314 31.823 0.353 0.000 0.654 94 V HN 0.442 nan 8.190 nan 0.000 0.451 95 V N 0.134 120.444 119.914 0.660 0.000 2.343 95 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 95 V C 2.301 178.737 176.094 0.569 0.000 1.051 95 V CA 2.216 64.892 62.300 0.627 0.000 1.036 95 V CB -0.689 31.335 31.823 0.334 0.000 0.654 95 V HN 0.567 nan 8.190 nan 0.000 0.451 96 D N -0.292 120.355 120.400 0.411 0.000 2.104 96 D HA -0.168 4.471 4.640 -0.000 0.000 0.194 96 D C 1.998 178.485 176.300 0.312 0.000 0.994 96 D CA 1.481 55.674 54.000 0.321 0.000 0.830 96 D CB -0.347 40.523 40.800 0.117 0.000 0.959 96 D HN 0.445 nan 8.370 nan 0.000 0.452 97 F N 1.259 121.375 119.950 0.276 0.000 2.216 97 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 97 F C 2.438 178.552 175.800 0.523 0.000 1.085 97 F CA 0.906 59.050 58.000 0.240 0.000 1.326 97 F CB -0.380 38.524 39.000 -0.160 0.000 1.027 97 F HN -0.084 nan 8.300 nan 0.000 0.497 98 A N -0.130 123.193 122.820 0.838 0.000 1.898 98 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 98 A C 2.410 180.446 177.584 0.753 0.000 1.181 98 A CA 1.549 54.087 52.037 0.836 0.000 0.620 98 A CB -1.253 18.136 19.000 0.649 0.000 0.819 98 A HN 0.286 nan 8.150 nan 0.000 0.442 99 A N -0.726 122.570 122.820 0.793 0.000 1.933 99 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 99 A C 2.231 180.164 177.584 0.582 0.000 1.175 99 A CA 1.856 54.320 52.037 0.712 0.000 0.628 99 A CB -0.509 18.849 19.000 0.596 0.000 0.814 99 A HN 0.517 nan 8.150 nan 0.000 0.444 100 M N -1.258 118.593 119.600 0.417 0.000 2.229 100 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 100 M C 2.346 178.724 176.300 0.129 0.000 1.063 100 M CA 1.113 56.441 55.300 0.047 0.000 1.114 100 M CB -0.155 32.409 32.600 -0.059 0.000 1.387 100 M HN 0.363 nan 8.290 nan 0.000 0.420 101 R N 0.163 120.844 120.500 0.302 0.000 2.066 101 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 101 R C 1.698 178.136 176.300 0.229 0.000 1.131 101 R CA 1.486 57.744 56.100 0.264 0.000 0.955 101 R CB -0.551 29.945 30.300 0.325 0.000 0.851 101 R HN 0.380 nan 8.270 nan 0.000 0.432 102 D N 0.771 121.360 120.400 0.315 0.000 2.106 102 D HA -0.175 4.465 4.640 -0.000 0.000 0.191 102 D C 1.837 178.257 176.300 0.200 0.000 0.997 102 D CA 1.602 55.775 54.000 0.287 0.000 0.834 102 D CB -0.411 40.626 40.800 0.395 0.000 0.956 102 D HN 0.211 nan 8.370 nan 0.000 0.448 103 A N 0.937 123.868 122.820 0.186 0.000 1.859 103 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 103 A C 2.638 180.242 177.584 0.034 0.000 1.209 103 A CA 2.227 54.312 52.037 0.080 0.000 0.639 103 A CB -1.123 17.790 19.000 -0.145 0.000 0.835 103 A HN 0.156 nan 8.150 nan 0.000 0.450 104 V N 0.529 120.448 119.914 0.009 0.000 2.324 104 V HA -0.332 3.788 4.120 -0.000 0.000 0.250 104 V C 2.615 178.733 176.094 0.041 0.000 1.060 104 V CA 2.811 65.117 62.300 0.011 0.000 1.042 104 V CB -0.791 31.043 31.823 0.018 0.000 0.650 104 V HN 0.776 nan 8.190 nan 0.000 0.450 105 K N 1.172 121.615 120.400 0.071 0.000 1.987 105 K HA -0.253 4.067 4.320 -0.000 0.000 0.216 105 K C 2.172 178.811 176.600 0.065 0.000 1.051 105 K CA 2.195 58.526 56.287 0.073 0.000 0.942 105 K CB -0.571 31.989 32.500 0.100 0.000 0.722 105 K HN 0.313 nan 8.250 nan 0.000 0.444 106 K N 0.026 120.473 120.400 0.079 0.000 2.286 106 K HA -0.105 4.215 4.320 -0.000 0.000 0.203 106 K C 1.441 178.073 176.600 0.052 0.000 1.045 106 K CA 1.338 57.668 56.287 0.071 0.000 0.935 106 K CB -0.070 32.483 32.500 0.088 0.000 0.737 106 K HN 0.272 nan 8.250 nan 0.000 0.460 107 L N -0.607 120.641 121.223 0.042 0.000 2.592 107 L HA 0.146 4.486 4.340 -0.000 0.000 0.227 107 L C 0.780 177.664 176.870 0.023 0.000 1.127 107 L CA 0.346 55.204 54.840 0.029 0.000 0.884 107 L CB 0.337 42.406 42.059 0.016 0.000 1.065 107 L HN 0.415 nan 8.230 nan 0.000 0.457 108 G N 0.620 109.437 108.800 0.028 0.000 2.248 108 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.252 108 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.252 108 G C 0.179 175.089 174.900 0.017 0.000 1.085 108 G CA -0.057 45.057 45.100 0.023 0.000 0.845 108 G HN 0.517 nan 8.290 nan 0.000 0.494 109 G N -1.243 107.569 108.800 0.019 0.000 3.042 109 G HA2 0.597 4.557 3.960 -0.000 0.000 0.278 109 G HA3 0.597 4.557 3.960 -0.000 0.000 0.278 109 G C -1.265 173.647 174.900 0.020 0.000 1.371 109 G CA -0.181 44.927 45.100 0.014 0.000 1.009 109 G HN 0.227 nan 8.290 nan 0.000 0.523 110 D N -0.077 120.332 120.400 0.016 0.000 2.316 110 D HA 0.336 4.975 4.640 -0.000 0.000 0.245 110 D C -1.308 175.010 176.300 0.031 0.000 1.171 110 D CA -2.028 51.984 54.000 0.020 0.000 0.856 110 D CB 1.938 42.744 40.800 0.011 0.000 1.090 110 D HN -0.118 nan 8.370 nan 0.000 0.476 111 P HA -0.131 nan 4.420 nan 0.000 0.216 111 P C 0.656 177.990 177.300 0.058 0.000 1.153 111 P CA 1.087 64.226 63.100 0.064 0.000 0.858 111 P CB 0.255 31.996 31.700 0.067 0.000 0.789 112 E N -0.561 119.651 120.200 0.020 0.000 2.463 112 E HA -0.139 4.211 4.350 -0.000 0.000 0.201 112 E C 1.562 178.180 176.600 0.031 0.000 1.045 112 E CA 0.495 56.897 56.400 0.003 0.000 0.872 112 E CB -0.217 29.466 29.700 -0.027 0.000 0.797 112 E HN 0.257 nan 8.360 nan 0.000 0.538 113 K N 0.285 120.709 120.400 0.040 0.000 2.365 113 K HA 0.000 4.320 4.320 -0.000 0.000 0.199 113 K C 0.697 177.341 176.600 0.074 0.000 1.045 113 K CA 0.408 56.718 56.287 0.038 0.000 0.962 113 K CB 0.317 32.829 32.500 0.020 0.000 0.759 113 K HN 0.115 nan 8.250 nan 0.000 0.469 114 I N 2.213 122.858 120.570 0.125 0.000 2.352 114 I HA 0.098 4.268 4.170 -0.000 0.000 0.290 114 I C -0.312 175.994 176.117 0.315 0.000 1.036 114 I CA -0.128 61.308 61.300 0.226 0.000 1.336 114 I CB 0.305 38.472 38.000 0.279 0.000 1.407 114 I HN 0.114 nan 8.210 nan 0.000 0.497 115 N N 6.943 125.800 118.700 0.261 0.000 3.171 115 N HA 0.372 5.112 4.740 -0.000 0.000 0.239 115 N C -2.981 172.440 175.510 -0.149 0.000 1.275 115 N CA -0.863 52.253 53.050 0.110 0.000 0.920 115 N CB 2.123 40.678 38.487 0.112 0.000 1.554 115 N HN 0.122 nan 8.380 nan 0.000 0.504 116 P HA 0.149 nan 4.420 nan 0.000 0.267 116 P C 0.500 177.695 177.300 -0.176 0.000 1.205 116 P CA -0.174 62.620 63.100 -0.510 0.000 0.765 116 P CB 0.437 31.745 31.700 -0.654 0.000 0.828 117 I N 2.780 123.304 120.570 -0.077 0.000 2.423 117 I HA -0.193 3.977 4.170 -0.000 0.000 0.254 117 I C 1.187 177.259 176.117 -0.075 0.000 1.151 117 I CA 1.569 62.837 61.300 -0.054 0.000 1.421 117 I CB -0.516 37.462 38.000 -0.037 0.000 1.079 117 I HN 0.477 nan 8.210 nan 0.000 0.431 118 C N -2.975 116.270 119.300 -0.092 0.000 2.973 118 C HA 0.703 5.163 4.460 -0.000 0.000 0.329 118 C C -2.670 172.285 174.990 -0.058 0.000 1.327 118 C CA -2.315 56.660 59.018 -0.072 0.000 1.632 118 C CB 1.049 28.730 27.740 -0.098 0.000 2.098 118 C HN -0.067 nan 8.230 nan 0.000 0.469 119 P HA 0.393 nan 4.420 nan 0.000 0.275 119 P C -0.626 176.662 177.300 -0.021 0.000 1.228 119 P CA -0.030 63.079 63.100 0.015 0.000 0.786 119 P CB 0.751 32.519 31.700 0.113 0.000 0.927 120 V N -0.779 119.106 119.914 -0.049 0.000 2.577 120 V HA 0.535 4.655 4.120 -0.000 0.000 0.303 120 V C -1.123 174.953 176.094 -0.030 0.000 1.042 120 V CA -0.687 61.581 62.300 -0.053 0.000 0.872 120 V CB 2.082 33.843 31.823 -0.103 0.000 0.998 120 V HN 0.259 nan 8.190 nan 0.000 0.423 121 D N 5.851 126.248 120.400 -0.005 0.000 2.373 121 D HA 0.426 5.066 4.640 -0.000 0.000 0.227 121 D C -0.199 176.115 176.300 0.024 0.000 1.091 121 D CA 0.020 54.025 54.000 0.009 0.000 0.840 121 D CB 2.219 43.029 40.800 0.015 0.000 1.060 121 D HN 0.616 nan 8.370 nan 0.000 0.502 122 L N 2.393 123.632 121.223 0.025 0.000 2.295 122 L HA 0.227 4.567 4.340 -0.000 0.000 0.288 122 L C -0.037 176.865 176.870 0.052 0.000 1.079 122 L CA -0.649 54.213 54.840 0.036 0.000 0.830 122 L CB 0.744 42.823 42.059 0.034 0.000 1.200 122 L HN -0.015 nan 8.230 nan 0.000 0.438 123 V N 5.911 125.858 119.914 0.056 0.000 2.333 123 V HA 0.280 4.400 4.120 -0.000 0.000 0.274 123 V C 0.539 176.649 176.094 0.026 0.000 1.028 123 V CA -0.091 62.256 62.300 0.078 0.000 0.851 123 V CB 1.411 33.319 31.823 0.142 0.000 1.000 123 V HN 0.577 nan 8.190 nan 0.000 0.456 124 I N 3.970 124.539 120.570 -0.001 0.000 3.004 124 I HA 0.241 4.411 4.170 -0.000 0.000 0.328 124 I C 0.454 176.533 176.117 -0.064 0.000 1.296 124 I CA -0.398 60.839 61.300 -0.106 0.000 1.005 124 I CB -0.055 37.838 38.000 -0.178 0.000 1.928 124 I HN 0.563 nan 8.210 nan 0.000 0.545 148 E N 1.454 121.820 120.200 0.277 0.000 2.204 148 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 148 E C 1.944 178.536 176.600 -0.013 0.000 0.990 148 E CA 0.988 57.480 56.400 0.154 0.000 0.821 148 E CB -0.282 29.501 29.700 0.137 0.000 0.750 148 E HN 0.505 nan 8.360 nan 0.000 0.477 149 R N 0.594 121.073 120.500 -0.034 0.000 2.081 149 R HA -0.041 4.298 4.340 -0.000 0.000 0.235 149 R C 1.676 177.777 176.300 -0.332 0.000 1.131 149 R CA 1.088 57.117 56.100 -0.120 0.000 0.960 149 R CB -0.082 30.198 30.300 -0.034 0.000 0.856 149 R HN 0.133 nan 8.270 nan 0.000 0.436 150 N N 0.459 118.969 118.700 -0.317 0.000 2.467 150 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 150 N C 1.470 176.780 175.510 -0.333 0.000 1.106 150 N CA 0.294 53.052 53.050 -0.486 0.000 0.892 150 N CB -0.027 38.270 38.487 -0.318 0.000 0.969 150 N HN 0.066 nan 8.380 nan 0.000 0.454 151 R N 1.992 122.339 120.500 -0.255 0.000 2.143 151 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 151 R C 1.942 178.238 176.300 -0.007 0.000 1.126 151 R CA 1.882 57.930 56.100 -0.087 0.000 0.927 151 R CB -0.624 29.672 30.300 -0.007 0.000 0.860 151 R HN 0.323 nan 8.270 nan 0.000 0.433 152 E N -0.596 119.527 120.200 -0.128 0.000 2.038 152 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 152 E C 2.161 178.755 176.600 -0.011 0.000 1.000 152 E CA 1.543 57.905 56.400 -0.064 0.000 0.803 152 E CB -0.037 29.583 29.700 -0.133 0.000 0.750 152 E HN 0.274 nan 8.360 nan 0.000 0.448 153 R N -0.433 119.966 120.500 -0.169 0.000 2.091 153 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 153 R C 2.206 178.660 176.300 0.256 0.000 1.136 153 R CA 1.660 57.744 56.100 -0.026 0.000 0.959 153 R CB -0.483 29.596 30.300 -0.369 0.000 0.856 153 R HN 0.248 nan 8.270 nan 0.000 0.437 154 F N 1.784 121.839 119.950 0.175 0.000 2.102 154 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 154 F C 2.031 177.961 175.800 0.217 0.000 1.105 154 F CA 1.521 59.712 58.000 0.319 0.000 1.239 154 F CB -0.196 38.925 39.000 0.201 0.000 0.991 154 F HN -0.108 nan 8.300 nan 0.000 0.474 155 E N 0.077 120.246 120.200 -0.051 0.000 2.085 155 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 155 E C 2.054 178.661 176.600 0.012 0.000 0.994 155 E CA 1.535 57.887 56.400 -0.080 0.000 0.801 155 E CB -0.945 28.819 29.700 0.107 0.000 0.743 155 E HN 0.494 nan 8.360 nan 0.000 0.453 156 F N 0.441 120.385 119.950 -0.011 0.000 2.134 156 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 156 F C 1.856 177.703 175.800 0.080 0.000 1.097 156 F CA 1.243 59.243 58.000 0.001 0.000 1.264 156 F CB -0.199 38.758 39.000 -0.071 0.000 1.001 156 F HN -0.007 nan 8.300 nan 0.000 0.479 157 L N 0.036 121.266 121.223 0.011 0.000 2.201 157 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 157 L C 2.521 179.281 176.870 -0.183 0.000 1.105 157 L CA 1.307 56.106 54.840 -0.068 0.000 0.775 157 L CB -0.681 41.434 42.059 0.094 0.000 0.913 157 L HN 0.136 nan 8.230 nan 0.000 0.440 158 K N -0.127 120.090 120.400 -0.305 0.000 2.025 158 K HA -0.255 4.065 4.320 -0.000 0.000 0.207 158 K C 2.109 178.625 176.600 -0.140 0.000 1.049 158 K CA 1.718 57.824 56.287 -0.303 0.000 0.933 158 K CB -0.302 31.924 32.500 -0.456 0.000 0.714 158 K HN 0.289 nan 8.250 nan 0.000 0.438 159 W N 1.166 122.311 121.300 -0.257 0.000 2.338 159 W HA -0.146 4.514 4.660 -0.000 0.000 0.304 159 W C 1.683 178.067 176.519 -0.225 0.000 1.212 159 W CA 2.180 59.404 57.345 -0.202 0.000 1.264 159 W CB -0.766 28.591 29.460 -0.172 0.000 1.142 159 W HN 0.162 nan 8.180 nan 0.000 0.512 160 G N 0.011 108.628 108.800 -0.305 0.000 2.440 160 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 160 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 160 G C 1.561 176.285 174.900 -0.292 0.000 1.154 160 G CA 1.459 46.332 45.100 -0.377 0.000 0.767 160 G HN 0.351 nan 8.290 nan 0.000 0.552 161 S N 0.933 116.499 115.700 -0.223 0.000 2.359 161 S HA -0.153 4.317 4.470 -0.000 0.000 0.222 161 S C 2.190 176.664 174.600 -0.209 0.000 1.038 161 S CA 1.857 59.963 58.200 -0.157 0.000 1.051 161 S CB -0.260 62.874 63.200 -0.110 0.000 0.944 161 S HN 0.381 nan 8.310 nan 0.000 0.433 162 K N 1.134 121.365 120.400 -0.281 0.000 2.432 162 K HA 0.258 4.578 4.320 -0.000 0.000 0.196 162 K C 1.764 178.106 176.600 -0.430 0.000 1.038 162 K CA 0.677 56.794 56.287 -0.284 0.000 0.986 162 K CB -0.123 32.244 32.500 -0.223 0.000 0.782 162 K HN 0.359 nan 8.250 nan 0.000 0.485 163 A N -0.178 122.218 122.820 -0.706 0.000 2.044 163 A HA 0.228 4.548 4.320 -0.000 0.000 0.213 163 A C 0.269 177.298 177.584 -0.925 0.000 1.169 163 A CA 0.365 51.813 52.037 -0.983 0.000 0.724 163 A CB 0.143 18.025 19.000 -1.863 0.000 0.840 163 A HN 0.107 nan 8.150 nan 0.000 0.463 164 F N -0.503 119.205 119.950 -0.402 0.000 2.575 164 F HA 0.567 5.094 4.527 -0.000 0.000 0.330 164 F C 0.674 176.348 175.800 -0.210 0.000 1.056 164 F CA -0.963 56.871 58.000 -0.277 0.000 0.964 164 F CB 1.241 40.064 39.000 -0.295 0.000 1.258 164 F HN -0.121 nan 8.300 nan 0.000 0.484 165 R N 1.033 121.560 120.500 0.045 0.000 2.459 165 R HA 0.266 4.606 4.340 -0.000 0.000 0.281 165 R C -0.141 176.148 176.300 -0.019 0.000 1.050 165 R CA -0.510 55.583 56.100 -0.011 0.000 1.055 165 R CB 0.359 30.651 30.300 -0.012 0.000 1.045 165 R HN 0.724 nan 8.270 nan 0.000 0.495 166 N N 0.728 119.414 118.700 -0.023 0.000 2.693 166 N HA -0.237 4.503 4.740 -0.000 0.000 0.249 166 N C -0.660 174.830 175.510 -0.033 0.000 1.119 166 N CA 1.096 54.135 53.050 -0.018 0.000 0.717 166 N CB -0.870 37.618 38.487 0.002 0.000 1.071 166 N HN 0.617 nan 8.380 nan 0.000 0.555 167 M N 0.721 120.296 119.600 -0.041 0.000 2.060 167 M HA 0.230 4.710 4.480 -0.000 0.000 0.342 167 M C 0.118 176.394 176.300 -0.040 0.000 1.031 167 M CA -0.431 54.837 55.300 -0.054 0.000 0.981 167 M CB 0.910 33.468 32.600 -0.069 0.000 1.376 167 M HN 0.116 nan 8.290 nan 0.000 0.397 168 R N 3.526 124.011 120.500 -0.025 0.000 2.607 168 R HA 0.786 5.126 4.340 -0.000 0.000 0.261 168 R C -1.347 174.962 176.300 0.016 0.000 1.051 168 R CA -0.575 55.523 56.100 -0.003 0.000 1.110 168 R CB 1.431 31.729 30.300 -0.003 0.000 1.158 168 R HN 0.835 nan 8.270 nan 0.000 0.543 169 I N 2.517 123.115 120.570 0.047 0.000 2.610 169 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 169 I C -1.413 174.773 176.117 0.116 0.000 1.163 169 I CA -0.892 60.453 61.300 0.075 0.000 1.044 169 I CB 1.644 39.687 38.000 0.072 0.000 1.251 169 I HN 0.506 nan 8.210 nan 0.000 0.424 170 I N 9.751 130.392 120.570 0.118 0.000 2.282 170 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 170 I C -2.082 174.106 176.117 0.118 0.000 1.090 170 I CA -2.421 58.954 61.300 0.125 0.000 1.231 170 I CB 0.033 38.106 38.000 0.122 0.000 1.434 170 I HN 0.358 nan 8.210 nan 0.000 0.487 171 P HA 0.244 nan 4.420 nan 0.000 0.272 171 P C -2.744 174.549 177.300 -0.012 0.000 1.223 171 P CA -1.550 61.627 63.100 0.130 0.000 0.784 171 P CB 0.008 31.822 31.700 0.191 0.000 0.923 172 P HA 0.164 nan 4.420 nan 0.000 0.271 172 P C 0.920 178.187 177.300 -0.056 0.000 1.216 172 P CA 1.041 64.061 63.100 -0.133 0.000 0.771 172 P CB 0.030 31.573 31.700 -0.261 0.000 0.864 173 G N 1.363 110.163 108.800 -0.001 0.000 2.176 173 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.232 173 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.232 173 G C 0.598 175.505 174.900 0.012 0.000 0.986 173 G CA 0.418 45.529 45.100 0.018 0.000 0.643 173 G HN 0.685 nan 8.290 nan 0.000 0.522 174 S N -0.300 115.407 115.700 0.010 0.000 3.006 174 S HA 0.700 5.170 4.470 -0.000 0.000 0.225 174 S C 1.203 175.804 174.600 0.002 0.000 1.097 174 S CA 0.404 58.608 58.200 0.008 0.000 1.260 174 S CB 0.110 63.322 63.200 0.019 0.000 1.085 174 S HN 1.681 nan 8.310 nan 0.000 0.568 175 G N 1.287 110.081 108.800 -0.011 0.000 2.346 175 G HA2 0.421 4.381 3.960 -0.000 0.000 0.275 175 G HA3 0.421 4.381 3.960 -0.000 0.000 0.275 175 G C 0.449 175.352 174.900 0.004 0.000 1.190 175 G CA -0.368 44.716 45.100 -0.027 0.000 1.015 175 G HN 0.844 nan 8.290 nan 0.000 0.441 176 I N 0.751 121.330 120.570 0.015 0.000 3.862 176 I HA 0.468 4.638 4.170 -0.000 0.000 0.328 176 I C -0.129 176.013 176.117 0.043 0.000 1.474 176 I CA -0.283 61.038 61.300 0.036 0.000 1.215 176 I CB 0.034 38.056 38.000 0.037 0.000 1.183 176 I HN 0.187 nan 8.210 nan 0.000 0.413 177 I N 1.432 122.014 120.570 0.019 0.000 2.621 177 I HA 0.185 4.355 4.170 -0.000 0.000 0.276 177 I C 1.160 177.291 176.117 0.024 0.000 1.118 177 I CA -0.646 60.661 61.300 0.010 0.000 1.159 177 I CB 0.462 38.428 38.000 -0.058 0.000 1.357 177 I HN 0.190 nan 8.210 nan 0.000 0.513 178 H N 3.459 122.521 119.070 -0.013 0.000 2.337 178 H HA -0.330 4.226 4.556 -0.000 0.000 0.288 178 H C 2.097 177.433 175.328 0.013 0.000 1.117 178 H CA 2.896 58.951 56.048 0.012 0.000 1.205 178 H CB 0.226 30.005 29.762 0.028 0.000 1.353 178 H HN 0.667 nan 8.280 nan 0.000 0.480 179 Q N -0.351 119.423 119.800 -0.043 0.000 2.096 179 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 179 Q C 2.295 178.265 176.000 -0.050 0.000 0.982 179 Q CA 2.237 57.997 55.803 -0.071 0.000 0.850 179 Q CB -0.113 28.609 28.738 -0.026 0.000 0.901 179 Q HN 0.433 nan 8.270 nan 0.000 0.422 180 V N 1.856 121.707 119.914 -0.105 0.000 2.358 180 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 180 V C 2.054 178.125 176.094 -0.039 0.000 1.047 180 V CA 1.906 64.081 62.300 -0.209 0.000 1.035 180 V CB -0.770 30.751 31.823 -0.503 0.000 0.658 180 V HN 0.456 nan 8.190 nan 0.000 0.452 181 N N 0.398 119.070 118.700 -0.047 0.000 2.120 181 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 181 N C 1.813 177.366 175.510 0.072 0.000 1.024 181 N CA 1.354 54.439 53.050 0.059 0.000 0.852 181 N CB -0.333 38.169 38.487 0.026 0.000 1.003 181 N HN 0.404 nan 8.380 nan 0.000 0.424 182 L N 1.136 122.314 121.223 -0.075 0.000 2.141 182 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 182 L C 1.943 178.853 176.870 0.067 0.000 1.094 182 L CA 1.017 55.825 54.840 -0.053 0.000 0.763 182 L CB -0.267 41.699 42.059 -0.156 0.000 0.908 182 L HN 0.168 nan 8.230 nan 0.000 0.437 183 E N -0.936 119.362 120.200 0.164 0.000 2.170 183 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 183 E C 1.926 178.708 176.600 0.303 0.000 0.981 183 E CA 0.602 57.151 56.400 0.247 0.000 0.830 183 E CB -0.021 29.922 29.700 0.405 0.000 0.775 183 E HN 0.384 nan 8.360 nan 0.000 0.470 184 Y N 1.346 121.786 120.300 0.234 0.000 2.242 184 Y HA -0.113 4.437 4.550 -0.000 0.000 0.291 184 Y C 1.618 177.565 175.900 0.079 0.000 1.137 184 Y CA 1.217 59.432 58.100 0.191 0.000 1.181 184 Y CB -0.064 38.492 38.460 0.159 0.000 0.989 184 Y HN -0.070 nan 8.280 nan 0.000 0.527 185 L N 0.394 121.559 121.223 -0.098 0.000 2.599 185 L HA 0.225 4.565 4.340 -0.000 0.000 0.230 185 L C 1.119 177.920 176.870 -0.114 0.000 1.141 185 L CA 0.098 54.809 54.840 -0.214 0.000 0.877 185 L CB -0.656 41.350 42.059 -0.089 0.000 1.009 185 L HN 0.170 nan 8.230 nan 0.000 0.447 186 A N 0.079 122.877 122.820 -0.037 0.000 2.404 186 A HA 0.308 4.628 4.320 -0.000 0.000 0.273 186 A C 0.878 178.435 177.584 -0.046 0.000 1.144 186 A CA -0.317 51.722 52.037 0.004 0.000 0.806 186 A CB 0.377 19.408 19.000 0.053 0.000 1.080 186 A HN 0.192 nan 8.150 nan 0.000 0.509 187 R N 1.597 122.064 120.500 -0.055 0.000 2.173 187 R HA 0.217 4.557 4.340 -0.000 0.000 0.208 187 R C 1.347 177.634 176.300 -0.021 0.000 1.035 187 R CA 1.202 57.211 56.100 -0.151 0.000 1.004 187 R CB -0.380 29.646 30.300 -0.457 0.000 0.917 187 R HN 0.787 nan 8.270 nan 0.000 0.462 188 V N -1.915 118.051 119.914 0.087 0.000 0.449 188 V HA -0.299 3.821 4.120 -0.000 0.000 0.092 188 V C 0.060 176.273 176.094 0.198 0.000 2.531 188 V CA 1.839 64.224 62.300 0.142 0.000 3.708 188 V CB -1.054 30.833 31.823 0.106 0.000 0.981 188 V HN 0.094 nan 8.190 nan 0.000 1.031 189 V N -0.291 119.715 119.914 0.153 0.000 2.733 189 V HA 0.632 4.752 4.120 -0.000 0.000 0.306 189 V C -0.993 175.144 176.094 0.073 0.000 1.084 189 V CA -0.464 61.957 62.300 0.202 0.000 0.905 189 V CB 1.895 33.876 31.823 0.263 0.000 1.010 189 V HN 0.259 nan 8.190 nan 0.000 0.424 190 F N 2.599 122.379 119.950 -0.283 0.000 2.404 190 F HA 0.483 5.010 4.527 -0.000 0.000 0.345 190 F C 0.363 175.974 175.800 -0.314 0.000 1.110 190 F CA -0.514 57.205 58.000 -0.468 0.000 1.130 190 F CB 1.393 39.662 39.000 -1.218 0.000 1.129 190 F HN 0.577 nan 8.300 nan 0.000 0.500 191 D N 3.848 124.202 120.400 -0.077 0.000 2.460 191 D HA 0.229 4.869 4.640 -0.000 0.000 0.268 191 D C -1.034 175.225 176.300 -0.069 0.000 1.153 191 D CA -0.160 53.766 54.000 -0.123 0.000 0.929 191 D CB 0.153 40.913 40.800 -0.067 0.000 1.015 191 D HN 0.497 nan 8.370 nan 0.000 0.502 192 Q N 1.926 121.767 119.800 0.067 0.000 2.347 192 Q HA 0.267 4.607 4.340 -0.000 0.000 0.271 192 Q C -0.755 175.360 176.000 0.192 0.000 1.064 192 Q CA -0.940 54.963 55.803 0.166 0.000 0.800 192 Q CB 1.929 30.876 28.738 0.348 0.000 1.304 192 Q HN 0.338 nan 8.270 nan 0.000 0.438 193 D N 1.621 122.094 120.400 0.121 0.000 2.720 193 D HA -0.223 4.417 4.640 -0.000 0.000 0.229 193 D C 0.657 177.088 176.300 0.219 0.000 1.198 193 D CA 1.476 55.560 54.000 0.140 0.000 0.639 193 D CB -1.259 39.628 40.800 0.145 0.000 1.003 193 D HN 1.120 nan 8.370 nan 0.000 0.411 194 G N -0.735 108.086 108.800 0.035 0.000 2.168 194 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 194 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 194 G C -0.206 174.488 174.900 -0.343 0.000 0.997 194 G CA 0.617 45.632 45.100 -0.142 0.000 0.708 194 G HN 0.525 nan 8.290 nan 0.000 0.520 195 Y N -1.589 118.650 120.300 -0.102 0.000 2.524 195 Y HA 0.668 5.218 4.550 -0.000 0.000 0.347 195 Y C -0.319 175.560 175.900 -0.035 0.000 1.005 195 Y CA -1.507 56.602 58.100 0.015 0.000 1.025 195 Y CB 1.528 40.099 38.460 0.185 0.000 1.275 195 Y HN 0.098 nan 8.280 nan 0.000 0.460 196 Y N 2.879 123.312 120.300 0.222 0.000 2.341 196 Y HA 0.546 5.096 4.550 -0.000 0.000 0.338 196 Y C -0.878 174.959 175.900 -0.104 0.000 0.965 196 Y CA -1.288 56.697 58.100 -0.193 0.000 1.108 196 Y CB 1.213 39.247 38.460 -0.709 0.000 1.180 196 Y HN 0.490 nan 8.280 nan 0.000 0.458 197 Y N 1.215 121.516 120.300 0.002 0.000 2.581 197 Y HA 0.748 5.298 4.550 -0.000 0.000 0.337 197 Y C -3.478 172.623 175.900 0.335 0.000 1.108 197 Y CA -3.930 54.286 58.100 0.194 0.000 1.033 197 Y CB 0.952 39.492 38.460 0.134 0.000 1.318 197 Y HN 0.272 nan 8.280 nan 0.000 0.459 198 P HA 0.074 nan 4.420 nan 0.000 0.271 198 P C -0.637 176.830 177.300 0.277 0.000 1.216 198 P CA 0.173 63.505 63.100 0.386 0.000 0.776 198 P CB 0.686 32.604 31.700 0.362 0.000 0.881 199 D N 1.548 122.131 120.400 0.304 0.000 2.382 199 D HA 0.345 4.985 4.640 -0.000 0.000 0.245 199 D C -0.562 175.886 176.300 0.246 0.000 1.120 199 D CA 0.433 54.634 54.000 0.334 0.000 0.890 199 D CB 0.281 41.303 40.800 0.369 0.000 1.201 199 D HN 0.374 nan 8.370 nan 0.000 0.433 200 S N 2.373 118.180 115.700 0.180 0.000 2.567 200 S HA 0.703 5.172 4.470 -0.000 0.000 0.270 200 S C -0.795 173.848 174.600 0.071 0.000 1.152 200 S CA -0.911 57.391 58.200 0.170 0.000 0.835 200 S CB 0.750 64.100 63.200 0.249 0.000 1.115 200 S HN 0.772 nan 8.310 nan 0.000 0.459 201 L N -1.093 120.148 121.223 0.030 0.000 2.963 201 L HA 0.995 5.335 4.340 -0.000 0.000 0.273 201 L C -1.860 174.892 176.870 -0.197 0.000 1.078 201 L CA -1.281 53.509 54.840 -0.083 0.000 0.970 201 L CB 1.296 43.351 42.059 -0.008 0.000 1.564 201 L HN 1.233 nan 8.230 nan 0.000 0.381 202 V N -2.169 117.625 119.914 -0.201 0.000 2.891 202 V HA 0.988 5.108 4.120 -0.000 0.000 0.304 202 V C -0.425 175.616 176.094 -0.089 0.000 1.171 202 V CA 0.378 62.542 62.300 -0.228 0.000 0.943 202 V CB 0.900 32.536 31.823 -0.313 0.000 1.037 202 V HN 1.271 nan 8.190 nan 0.000 0.427 203 G N 0.964 109.752 108.800 -0.020 0.000 2.659 203 G HA2 0.579 4.539 3.960 -0.000 0.000 0.296 203 G HA3 0.579 4.539 3.960 -0.000 0.000 0.296 203 G C 0.349 175.282 174.900 0.056 0.000 1.369 203 G CA 0.034 45.151 45.100 0.029 0.000 0.937 203 G HN 1.528 nan 8.290 nan 0.000 0.485 204 T N -2.086 112.503 114.554 0.057 0.000 3.284 204 T HA 0.083 4.432 4.350 -0.000 0.000 0.252 204 T C 0.265 175.000 174.700 0.058 0.000 1.144 204 T CA 0.489 62.626 62.100 0.063 0.000 1.021 204 T CB -0.172 68.735 68.868 0.065 0.000 0.984 204 T HN 0.429 nan 8.240 nan 0.000 0.545 205 D N 1.073 121.515 120.400 0.070 0.000 2.280 205 D HA 0.342 4.981 4.640 -0.000 0.000 0.236 205 D C 1.388 177.715 176.300 0.045 0.000 1.082 205 D CA -0.297 53.739 54.000 0.060 0.000 0.834 205 D CB 1.788 42.671 40.800 0.140 0.000 1.100 205 D HN 0.110 nan 8.370 nan 0.000 0.486 206 S N 3.226 118.889 115.700 -0.063 0.000 2.419 206 S HA -0.237 4.233 4.470 -0.000 0.000 0.235 206 S C 1.349 175.897 174.600 -0.087 0.000 1.019 206 S CA 0.818 58.951 58.200 -0.111 0.000 0.982 206 S CB -0.437 62.616 63.200 -0.245 0.000 0.789 206 S HN 0.626 nan 8.310 nan 0.000 0.490 207 H N 1.223 120.368 119.070 0.125 0.000 2.543 207 H HA 0.231 4.787 4.556 -0.000 0.000 0.269 207 H C 1.684 177.116 175.328 0.173 0.000 1.005 207 H CA 0.756 56.898 56.048 0.157 0.000 1.146 207 H CB -0.703 29.189 29.762 0.217 0.000 1.353 207 H HN 0.427 nan 8.280 nan 0.000 0.595 208 T N 0.499 115.202 114.554 0.248 0.000 2.778 208 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 208 T C 2.157 176.977 174.700 0.199 0.000 1.050 208 T CA 2.048 64.269 62.100 0.202 0.000 1.137 208 T CB -0.286 68.678 68.868 0.160 0.000 0.860 208 T HN 0.628 nan 8.240 nan 0.000 0.468 209 T N 0.567 115.253 114.554 0.220 0.000 2.996 209 T HA -0.037 4.312 4.350 -0.000 0.000 0.271 209 T C 1.784 176.586 174.700 0.170 0.000 1.126 209 T CA 0.848 63.077 62.100 0.216 0.000 1.103 209 T CB -0.529 68.453 68.868 0.191 0.000 0.870 209 T HN 0.386 nan 8.240 nan 0.000 0.528 210 M N 0.196 119.886 119.600 0.150 0.000 2.159 210 M HA 0.009 4.489 4.480 -0.000 0.000 0.263 210 M C 2.047 178.374 176.300 0.046 0.000 1.063 210 M CA 1.478 56.828 55.300 0.083 0.000 1.110 210 M CB -0.337 32.306 32.600 0.070 0.000 1.374 210 M HN 0.268 nan 8.290 nan 0.000 0.411 211 I N 1.593 122.209 120.570 0.077 0.000 2.700 211 I HA -0.242 3.928 4.170 -0.000 0.000 0.261 211 I C 0.779 176.944 176.117 0.081 0.000 1.219 211 I CA 1.587 62.924 61.300 0.063 0.000 1.463 211 I CB -0.492 37.561 38.000 0.089 0.000 1.092 211 I HN 0.330 nan 8.210 nan 0.000 0.452 212 D N -0.270 120.213 120.400 0.139 0.000 2.350 212 D HA -0.073 4.567 4.640 -0.000 0.000 0.216 212 D C 2.216 178.562 176.300 0.077 0.000 0.968 212 D CA 1.077 55.203 54.000 0.209 0.000 0.894 212 D CB -0.304 40.692 40.800 0.327 0.000 0.909 212 D HN 0.440 nan 8.370 nan 0.000 0.520 213 G N 0.020 108.788 108.800 -0.053 0.000 2.572 213 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.216 213 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.216 213 G C 1.095 175.801 174.900 -0.324 0.000 1.133 213 G CA -0.113 44.788 45.100 -0.332 0.000 0.791 213 G HN 0.275 nan 8.290 nan 0.000 0.538 214 L N 0.322 121.425 121.223 -0.200 0.000 2.741 214 L HA 0.320 4.660 4.340 -0.000 0.000 0.237 214 L C 1.497 178.308 176.870 -0.098 0.000 1.178 214 L CA 1.109 55.835 54.840 -0.190 0.000 0.973 214 L CB -0.555 41.402 42.059 -0.170 0.000 1.255 214 L HN 0.368 nan 8.230 nan 0.000 0.498 215 G N 0.114 108.830 108.800 -0.141 0.000 2.217 215 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.246 215 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.246 215 G C 0.224 175.243 174.900 0.199 0.000 0.990 215 G CA 0.227 45.229 45.100 -0.163 0.000 0.627 215 G HN 0.178 nan 8.290 nan 0.000 0.522 216 V N 1.931 121.990 119.914 0.242 0.000 2.461 216 V HA 0.604 4.724 4.120 -0.000 0.000 0.275 216 V C 0.675 177.031 176.094 0.436 0.000 1.047 216 V CA -0.504 61.998 62.300 0.338 0.000 0.955 216 V CB 1.513 33.461 31.823 0.208 0.000 0.988 216 V HN 0.451 nan 8.190 nan 0.000 0.471 217 L N 5.264 126.722 121.223 0.392 0.000 2.305 217 L HA 0.845 5.184 4.340 -0.000 0.000 0.281 217 L C 0.416 177.380 176.870 0.157 0.000 1.085 217 L CA 1.044 56.012 54.840 0.214 0.000 0.813 217 L CB 0.689 42.708 42.059 -0.068 0.000 1.157 217 L HN 0.887 nan 8.230 nan 0.000 0.436 218 G N 3.201 112.098 108.800 0.162 0.000 2.340 218 G HA2 0.447 4.407 3.960 -0.000 0.000 0.298 218 G HA3 0.447 4.407 3.960 -0.000 0.000 0.298 218 G C -2.288 172.741 174.900 0.214 0.000 1.498 218 G CA -0.212 44.864 45.100 -0.040 0.000 0.847 218 G HN 1.002 nan 8.290 nan 0.000 0.594 219 W N -0.833 120.579 121.300 0.188 0.000 2.959 219 W HA 0.765 5.425 4.660 -0.000 0.000 0.358 219 W C 0.251 176.849 176.519 0.131 0.000 1.228 219 W CA -1.144 56.285 57.345 0.141 0.000 1.183 219 W CB 0.564 30.103 29.460 0.132 0.000 1.467 219 W HN 1.223 nan 8.180 nan 0.000 0.578 220 G N 0.733 109.762 108.800 0.383 0.000 2.467 220 G HA2 0.568 4.528 3.960 -0.000 0.000 0.257 220 G HA3 0.568 4.528 3.960 -0.000 0.000 0.257 220 G C -0.714 174.371 174.900 0.308 0.000 1.227 220 G CA 0.031 45.276 45.100 0.242 0.000 0.835 220 G HN 1.400 nan 8.290 nan 0.000 0.556 221 V N -0.523 119.501 119.914 0.183 0.000 3.167 221 V HA 0.963 5.083 4.120 -0.000 0.000 0.310 221 V C 0.717 176.878 176.094 0.112 0.000 1.207 221 V CA -0.547 61.860 62.300 0.178 0.000 1.059 221 V CB 1.178 33.090 31.823 0.149 0.000 1.079 221 V HN 1.100 nan 8.190 nan 0.000 0.446 222 G N -0.174 108.686 108.800 0.100 0.000 2.606 222 G HA2 0.443 4.403 3.960 -0.000 0.000 0.252 222 G HA3 0.443 4.403 3.960 -0.000 0.000 0.252 222 G C 1.008 175.943 174.900 0.057 0.000 1.206 222 G CA 0.020 45.164 45.100 0.074 0.000 0.861 222 G HN 1.541 nan 8.290 nan 0.000 0.561 223 G N -0.104 108.729 108.800 0.054 0.000 2.440 223 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 223 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 223 G C 1.668 176.578 174.900 0.018 0.000 1.154 223 G CA 1.067 46.195 45.100 0.047 0.000 0.767 223 G HN 0.552 nan 8.290 nan 0.000 0.552 224 I N 0.474 121.043 120.570 -0.001 0.000 2.179 224 I HA -0.128 4.042 4.170 -0.000 0.000 0.242 224 I C 2.718 178.820 176.117 -0.024 0.000 1.088 224 I CA 1.240 62.517 61.300 -0.038 0.000 1.357 224 I CB -0.254 37.715 38.000 -0.052 0.000 1.051 224 I HN 0.082 nan 8.210 nan 0.000 0.409 225 E N 1.115 121.319 120.200 0.006 0.000 2.153 225 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 225 E C 2.233 178.828 176.600 -0.007 0.000 0.988 225 E CA 1.378 57.784 56.400 0.011 0.000 0.811 225 E CB -0.400 29.331 29.700 0.051 0.000 0.746 225 E HN 0.493 nan 8.360 nan 0.000 0.466 226 A N 0.701 123.521 122.820 0.000 0.000 1.898 226 A HA -0.230 4.089 4.320 -0.000 0.000 0.216 226 A C 2.168 179.748 177.584 -0.006 0.000 1.181 226 A CA 1.717 53.747 52.037 -0.012 0.000 0.620 226 A CB -0.501 18.504 19.000 0.009 0.000 0.819 226 A HN 0.302 nan 8.150 nan 0.000 0.442 227 E N -0.162 120.043 120.200 0.008 0.000 2.150 227 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 227 E C 2.031 178.637 176.600 0.010 0.000 0.985 227 E CA 0.862 57.282 56.400 0.034 0.000 0.814 227 E CB -0.236 29.469 29.700 0.009 0.000 0.752 227 E HN 0.542 nan 8.360 nan 0.000 0.466 228 A N 0.362 123.163 122.820 -0.030 0.000 1.933 228 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 228 A C 2.354 179.922 177.584 -0.026 0.000 1.175 228 A CA 1.431 53.441 52.037 -0.044 0.000 0.628 228 A CB -0.578 18.398 19.000 -0.040 0.000 0.814 228 A HN 0.228 nan 8.150 nan 0.000 0.444 229 V N -0.267 119.621 119.914 -0.043 0.000 2.427 229 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 229 V C 2.550 178.619 176.094 -0.041 0.000 1.051 229 V CA 2.118 64.372 62.300 -0.076 0.000 1.048 229 V CB -0.671 31.071 31.823 -0.135 0.000 0.666 229 V HN 0.581 nan 8.190 nan 0.000 0.456 230 M N -0.804 118.799 119.600 0.005 0.000 2.460 230 M HA -0.061 4.418 4.480 -0.000 0.000 0.263 230 M C 1.678 178.084 176.300 0.178 0.000 1.071 230 M CA 1.520 56.846 55.300 0.043 0.000 1.096 230 M CB -0.201 32.447 32.600 0.079 0.000 1.408 230 M HN 0.272 nan 8.290 nan 0.000 0.463 231 L N -1.047 120.263 121.223 0.143 0.000 2.592 231 L HA 0.221 4.561 4.340 -0.000 0.000 0.227 231 L C 1.336 178.246 176.870 0.067 0.000 1.127 231 L CA 0.220 55.133 54.840 0.121 0.000 0.884 231 L CB -0.057 41.999 42.059 -0.006 0.000 1.065 231 L HN 0.558 nan 8.230 nan 0.000 0.457 232 G N 0.113 108.932 108.800 0.032 0.000 2.176 232 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.232 232 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.232 232 G C 0.151 175.061 174.900 0.017 0.000 0.986 232 G CA 0.051 45.160 45.100 0.014 0.000 0.643 232 G HN 0.349 nan 8.290 nan 0.000 0.522 233 Q N 1.831 121.642 119.800 0.019 0.000 2.274 233 Q HA 0.590 4.929 4.340 -0.000 0.000 0.256 233 Q C -2.203 173.778 176.000 -0.031 0.000 0.927 233 Q CA -2.403 53.415 55.803 0.024 0.000 0.939 233 Q CB 1.478 30.253 28.738 0.062 0.000 1.201 233 Q HN 0.299 nan 8.270 nan 0.000 0.426 234 P HA 0.071 nan 4.420 nan 0.000 0.275 234 P C -0.336 176.952 177.300 -0.019 0.000 1.227 234 P CA -0.371 62.691 63.100 -0.064 0.000 0.781 234 P CB 0.695 32.375 31.700 -0.034 0.000 0.906 235 I N 1.638 122.184 120.570 -0.040 0.000 2.710 235 I HA -0.034 4.136 4.170 -0.000 0.000 0.286 235 I C 1.317 177.531 176.117 0.162 0.000 1.181 235 I CA 0.711 62.056 61.300 0.074 0.000 1.430 235 I CB -0.188 37.890 38.000 0.131 0.000 1.367 235 I HN 0.362 nan 8.210 nan 0.000 0.577 236 S N 7.980 123.769 115.700 0.149 0.000 2.508 236 S HA 0.806 5.276 4.470 -0.000 0.000 0.284 236 S C -0.382 174.319 174.600 0.169 0.000 1.192 236 S CA -0.698 57.582 58.200 0.134 0.000 1.070 236 S CB 0.554 63.804 63.200 0.083 0.000 1.004 236 S HN 0.567 nan 8.310 nan 0.000 0.493 237 M N 2.797 122.487 119.600 0.149 0.000 2.534 237 M HA 0.567 5.047 4.480 -0.000 0.000 0.280 237 M C -1.765 174.564 176.300 0.047 0.000 1.217 237 M CA -1.030 54.342 55.300 0.119 0.000 0.893 237 M CB 1.371 34.085 32.600 0.189 0.000 1.730 237 M HN 0.200 nan 8.290 nan 0.000 0.483 238 V N 2.546 122.460 119.914 0.001 0.000 2.555 238 V HA 0.178 4.297 4.120 -0.000 0.000 0.286 238 V C 0.164 176.213 176.094 -0.076 0.000 1.044 238 V CA -0.577 61.705 62.300 -0.030 0.000 1.026 238 V CB 1.099 32.898 31.823 -0.039 0.000 0.981 238 V HN 0.758 nan 8.190 nan 0.000 0.480 239 L N 9.897 131.083 121.223 -0.062 0.000 2.615 239 L HA 0.207 4.547 4.340 -0.000 0.000 0.271 239 L C -1.722 175.080 176.870 -0.113 0.000 1.183 239 L CA -0.392 54.408 54.840 -0.066 0.000 0.933 239 L CB 0.110 42.168 42.059 -0.003 0.000 1.199 239 L HN 0.495 nan 8.230 nan 0.000 0.487 240 P HA 0.126 nan 4.420 nan 0.000 0.281 240 P C -1.136 176.175 177.300 0.019 0.000 1.249 240 P CA -0.572 62.372 63.100 -0.259 0.000 0.810 240 P CB 0.820 32.081 31.700 -0.733 0.000 1.008 241 Q N 0.125 119.938 119.800 0.022 0.000 2.368 241 Q HA 0.394 4.734 4.340 -0.000 0.000 0.237 241 Q C -0.596 175.558 176.000 0.256 0.000 0.987 241 Q CA -0.559 55.338 55.803 0.157 0.000 0.896 241 Q CB 0.938 29.701 28.738 0.042 0.000 1.241 241 Q HN 0.229 nan 8.270 nan 0.000 0.485 242 V N 3.238 123.399 119.914 0.412 0.000 2.357 242 V HA 0.220 4.340 4.120 -0.000 0.000 0.281 242 V C -0.701 175.520 176.094 0.213 0.000 1.015 242 V CA -0.654 61.825 62.300 0.299 0.000 0.827 242 V CB 1.014 32.980 31.823 0.238 0.000 1.018 242 V HN 0.591 nan 8.190 nan 0.000 0.432 243 I N 4.126 124.742 120.570 0.077 0.000 2.471 243 I HA 0.430 4.600 4.170 -0.000 0.000 0.286 243 I C 1.187 177.128 176.117 -0.294 0.000 1.079 243 I CA 0.701 61.970 61.300 -0.053 0.000 1.398 243 I CB 1.044 38.992 38.000 -0.087 0.000 1.403 243 I HN 0.643 nan 8.210 nan 0.000 0.530 244 G N 6.077 114.608 108.800 -0.448 0.000 2.322 244 G HA2 0.245 4.205 3.960 -0.000 0.000 0.309 244 G HA3 0.245 4.205 3.960 -0.000 0.000 0.309 244 G C -1.131 173.595 174.900 -0.291 0.000 1.121 244 G CA -0.321 44.198 45.100 -0.968 0.000 0.886 244 G HN 0.557 nan 8.290 nan 0.000 0.447 245 Y N 3.902 123.885 120.300 -0.530 0.000 2.491 245 Y HA 0.386 4.936 4.550 -0.000 0.000 0.334 245 Y C 0.767 176.355 175.900 -0.521 0.000 0.969 245 Y CA -1.246 56.487 58.100 -0.613 0.000 1.241 245 Y CB 0.618 38.348 38.460 -1.217 0.000 1.105 245 Y HN 0.474 nan 8.280 nan 0.000 0.503 246 R N 5.635 126.044 120.500 -0.153 0.000 2.308 246 R HA 0.372 4.712 4.340 -0.000 0.000 0.305 246 R C -1.942 174.188 176.300 -0.283 0.000 1.053 246 R CA -0.467 55.226 56.100 -0.679 0.000 0.957 246 R CB 0.705 30.402 30.300 -1.005 0.000 1.022 246 R HN 0.579 nan 8.270 nan 0.000 0.461 247 L N 6.351 127.391 121.223 -0.305 0.000 2.322 247 L HA 0.545 4.885 4.340 -0.000 0.000 0.281 247 L C 0.044 176.816 176.870 -0.163 0.000 1.014 247 L CA -0.280 54.453 54.840 -0.179 0.000 0.815 247 L CB 1.675 43.644 42.059 -0.150 0.000 1.247 247 L HN 0.716 nan 8.230 nan 0.000 0.421 248 M N 1.373 120.905 119.600 -0.113 0.000 2.683 248 M HA 0.902 5.382 4.480 -0.000 0.000 0.274 248 M C 0.034 176.290 176.300 -0.074 0.000 1.272 248 M CA -0.082 55.163 55.300 -0.092 0.000 0.833 248 M CB 1.929 34.477 32.600 -0.087 0.000 1.708 248 M HN 0.672 nan 8.290 nan 0.000 0.463 249 G N 1.880 110.640 108.800 -0.066 0.000 2.660 249 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.215 249 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.215 249 G C -1.556 173.294 174.900 -0.082 0.000 1.345 249 G CA 0.056 45.113 45.100 -0.072 0.000 0.877 249 G HN 1.195 nan 8.290 nan 0.000 0.549 250 K N 0.831 121.165 120.400 -0.110 0.000 2.513 250 K HA 0.678 4.998 4.320 -0.000 0.000 0.251 250 K C -2.668 173.824 176.600 -0.180 0.000 0.939 250 K CA -1.584 54.634 56.287 -0.114 0.000 0.793 250 K CB 2.550 34.993 32.500 -0.095 0.000 1.241 250 K HN 0.503 nan 8.250 nan 0.000 0.431 251 P HA 0.114 nan 4.420 nan 0.000 0.275 251 P C -0.534 176.677 177.300 -0.149 0.000 1.228 251 P CA -0.090 62.929 63.100 -0.134 0.000 0.786 251 P CB 0.491 32.169 31.700 -0.038 0.000 0.927 252 H N 2.702 121.762 119.070 -0.016 0.000 2.801 252 H HA 0.012 4.568 4.556 -0.000 0.000 0.377 252 H C -1.215 174.086 175.328 -0.045 0.000 1.304 252 H CA -0.789 55.238 56.048 -0.035 0.000 1.451 252 H CB -0.679 29.055 29.762 -0.047 0.000 1.474 252 H HN 0.338 nan 8.280 nan 0.000 0.620 253 P HA -0.149 nan 4.420 nan 0.000 0.217 253 P C 1.496 178.656 177.300 -0.235 0.000 1.151 253 P CA 1.321 64.378 63.100 -0.071 0.000 0.849 253 P CB 0.220 31.837 31.700 -0.138 0.000 0.787 254 L N -2.155 118.874 121.223 -0.323 0.000 2.446 254 L HA 0.038 4.377 4.340 -0.000 0.000 0.219 254 L C 0.499 177.396 176.870 0.045 0.000 1.116 254 L CA -0.080 54.462 54.840 -0.496 0.000 0.844 254 L CB -0.290 41.446 42.059 -0.538 0.000 0.970 254 L HN -0.222 nan 8.230 nan 0.000 0.457 255 V N 1.339 121.304 119.914 0.086 0.000 2.557 255 V HA -0.036 4.084 4.120 -0.000 0.000 0.301 255 V C 0.912 177.116 176.094 0.184 0.000 1.026 255 V CA 0.352 62.729 62.300 0.128 0.000 1.137 255 V CB 0.422 32.297 31.823 0.087 0.000 0.917 255 V HN 0.422 nan 8.190 nan 0.000 0.484 256 T N 1.538 116.191 114.554 0.166 0.000 2.910 256 T HA 0.336 4.686 4.350 -0.000 0.000 0.279 256 T C 1.203 175.939 174.700 0.060 0.000 0.989 256 T CA -0.009 62.169 62.100 0.131 0.000 0.968 256 T CB 1.497 70.438 68.868 0.121 0.000 1.135 256 T HN 0.391 nan 8.240 nan 0.000 0.562 257 S N 0.378 116.093 115.700 0.024 0.000 2.343 257 S HA -0.081 4.389 4.470 -0.000 0.000 0.219 257 S C 2.243 176.838 174.600 -0.009 0.000 1.033 257 S CA 1.835 60.028 58.200 -0.011 0.000 1.014 257 S CB -1.101 62.075 63.200 -0.040 0.000 0.915 257 S HN 0.888 nan 8.310 nan 0.000 0.435 258 T N 2.296 116.848 114.554 -0.004 0.000 2.760 258 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 258 T C 1.266 175.979 174.700 0.022 0.000 1.047 258 T CA 1.535 63.638 62.100 0.005 0.000 1.139 258 T CB -0.526 68.349 68.868 0.012 0.000 0.855 258 T HN 0.313 nan 8.240 nan 0.000 0.471 259 D N 0.895 121.316 120.400 0.034 0.000 2.084 259 D HA -0.040 4.600 4.640 -0.000 0.000 0.196 259 D C 2.227 178.544 176.300 0.028 0.000 0.985 259 D CA 0.727 54.752 54.000 0.042 0.000 0.826 259 D CB -0.253 40.582 40.800 0.059 0.000 0.978 259 D HN 0.270 nan 8.370 nan 0.000 0.456 260 I N 0.914 121.492 120.570 0.014 0.000 2.179 260 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 260 I C 2.614 178.731 176.117 -0.000 0.000 1.088 260 I CA 0.657 61.956 61.300 -0.003 0.000 1.357 260 I CB -1.430 36.553 38.000 -0.029 0.000 1.051 260 I HN -0.085 nan 8.210 nan 0.000 0.409 261 V N 1.609 121.519 119.914 -0.007 0.000 2.220 261 V HA -0.304 3.816 4.120 -0.000 0.000 0.250 261 V C 2.744 178.862 176.094 0.040 0.000 1.056 261 V CA 2.001 64.303 62.300 0.003 0.000 1.016 261 V CB -0.744 31.074 31.823 -0.008 0.000 0.639 261 V HN 0.348 nan 8.190 nan 0.000 0.446 262 L N -0.457 120.792 121.223 0.044 0.000 2.127 262 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 262 L C 2.559 179.471 176.870 0.069 0.000 1.089 262 L CA 1.947 56.823 54.840 0.060 0.000 0.757 262 L CB -1.140 40.950 42.059 0.051 0.000 0.899 262 L HN 0.436 nan 8.230 nan 0.000 0.434 263 T N 0.265 114.855 114.554 0.060 0.000 2.701 263 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 263 T C 1.944 176.724 174.700 0.133 0.000 1.040 263 T CA 1.313 63.455 62.100 0.070 0.000 1.147 263 T CB -0.160 68.736 68.868 0.047 0.000 0.865 263 T HN 0.183 nan 8.240 nan 0.000 0.426 264 I N 0.954 121.597 120.570 0.123 0.000 2.142 264 I HA -0.188 3.981 4.170 -0.000 0.000 0.240 264 I C 2.816 179.038 176.117 0.176 0.000 1.078 264 I CA 1.138 62.550 61.300 0.188 0.000 1.343 264 I CB -0.785 37.232 38.000 0.030 0.000 1.046 264 I HN 0.228 nan 8.210 nan 0.000 0.405 265 T N 0.704 115.312 114.554 0.091 0.000 2.607 265 T HA -0.278 4.072 4.350 -0.000 0.000 0.267 265 T C 2.026 176.764 174.700 0.064 0.000 1.049 265 T CA 1.678 63.809 62.100 0.051 0.000 1.162 265 T CB -0.227 68.723 68.868 0.137 0.000 0.863 265 T HN 0.245 nan 8.240 nan 0.000 0.424 266 K N -0.154 120.311 120.400 0.109 0.000 2.057 266 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 266 K C 2.179 178.862 176.600 0.138 0.000 1.049 266 K CA 1.478 57.832 56.287 0.112 0.000 0.931 266 K CB -0.336 32.220 32.500 0.093 0.000 0.714 266 K HN 0.610 nan 8.250 nan 0.000 0.440 267 H N 0.482 119.571 119.070 0.032 0.000 2.253 267 H HA -0.128 4.428 4.556 -0.000 0.000 0.296 267 H C 2.358 177.653 175.328 -0.054 0.000 1.074 267 H CA 1.666 57.716 56.048 0.002 0.000 1.263 267 H CB -0.062 29.725 29.762 0.042 0.000 1.363 267 H HN 0.105 nan 8.280 nan 0.000 0.489 268 L N 0.380 121.534 121.223 -0.116 0.000 2.054 268 L HA -0.321 4.019 4.340 -0.000 0.000 0.220 268 L C 2.950 179.742 176.870 -0.129 0.000 1.081 268 L CA 1.777 56.451 54.840 -0.277 0.000 0.780 268 L CB -0.495 41.277 42.059 -0.479 0.000 0.893 268 L HN 0.345 nan 8.230 nan 0.000 0.438 269 R N -0.273 120.222 120.500 -0.009 0.000 2.113 269 R HA -0.259 4.081 4.340 -0.000 0.000 0.244 269 R C 2.347 178.670 176.300 0.040 0.000 1.142 269 R CA 2.168 58.323 56.100 0.092 0.000 0.953 269 R CB -0.167 30.205 30.300 0.120 0.000 0.860 269 R HN 0.478 nan 8.270 nan 0.000 0.438 270 Q N -0.822 118.990 119.800 0.019 0.000 2.167 270 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 270 Q C 2.082 178.058 176.000 -0.041 0.000 0.970 270 Q CA 1.378 57.189 55.803 0.015 0.000 0.855 270 Q CB 0.157 28.937 28.738 0.070 0.000 0.911 270 Q HN 0.206 nan 8.270 nan 0.000 0.438 271 V N 0.267 120.097 119.914 -0.140 0.000 2.594 271 V HA -0.126 3.994 4.120 -0.000 0.000 0.253 271 V C 1.086 177.126 176.094 -0.090 0.000 1.069 271 V CA 1.410 63.600 62.300 -0.184 0.000 1.082 271 V CB -0.947 30.666 31.823 -0.350 0.000 0.680 271 V HN 0.643 nan 8.190 nan 0.000 0.469 272 G N 0.275 109.048 108.800 -0.044 0.000 2.799 272 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.271 272 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.271 272 G C 0.087 174.992 174.900 0.008 0.000 1.067 272 G CA 0.183 45.282 45.100 -0.003 0.000 1.251 272 G HN 1.174 nan 8.290 nan 0.000 0.560 273 V N -1.166 118.775 119.914 0.044 0.000 3.319 273 V HA 0.492 4.612 4.120 -0.000 0.000 0.317 273 V C 1.251 177.401 176.094 0.094 0.000 1.411 273 V CA 0.133 62.476 62.300 0.072 0.000 1.112 273 V CB 0.492 32.378 31.823 0.105 0.000 1.031 273 V HN 0.805 nan 8.190 nan 0.000 0.448 274 V N 2.860 122.818 119.914 0.074 0.000 2.644 274 V HA 0.388 4.508 4.120 -0.000 0.000 0.305 274 V C 1.849 177.963 176.094 0.035 0.000 1.053 274 V CA 1.596 63.928 62.300 0.054 0.000 1.186 274 V CB -0.279 31.568 31.823 0.039 0.000 0.895 274 V HN 1.057 nan 8.190 nan 0.000 0.490 275 G N 3.643 112.454 108.800 0.019 0.000 2.168 275 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.263 275 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.263 275 G C 0.226 175.129 174.900 0.003 0.000 0.977 275 G CA 0.780 45.876 45.100 -0.006 0.000 0.659 275 G HN 0.670 nan 8.290 nan 0.000 0.533 276 K N -1.239 119.196 120.400 0.058 0.000 2.288 276 K HA 0.771 5.091 4.320 -0.000 0.000 0.234 276 K C -0.742 176.017 176.600 0.263 0.000 1.037 276 K CA -1.042 55.305 56.287 0.100 0.000 0.914 276 K CB 0.953 33.509 32.500 0.095 0.000 1.197 276 K HN -0.051 nan 8.250 nan 0.000 0.471 277 F N 0.771 120.722 119.950 0.001 0.000 2.458 277 F HA 0.384 4.911 4.527 -0.000 0.000 0.330 277 F C -0.275 175.549 175.800 0.039 0.000 1.082 277 F CA -1.201 56.804 58.000 0.008 0.000 0.995 277 F CB 1.735 40.727 39.000 -0.013 0.000 1.170 277 F HN -0.015 nan 8.300 nan 0.000 0.478 278 V N 2.916 122.941 119.914 0.185 0.000 2.531 278 V HA 0.387 4.507 4.120 -0.000 0.000 0.301 278 V C -0.662 175.469 176.094 0.062 0.000 1.034 278 V CA -0.813 61.545 62.300 0.096 0.000 0.865 278 V CB 1.758 33.694 31.823 0.188 0.000 0.995 278 V HN 0.732 nan 8.190 nan 0.000 0.424 279 E N 3.220 123.354 120.200 -0.110 0.000 2.248 279 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 279 E C -1.701 174.719 176.600 -0.299 0.000 0.877 279 E CA -0.594 55.752 56.400 -0.089 0.000 0.759 279 E CB 1.751 31.451 29.700 0.000 0.000 1.182 279 E HN 0.446 nan 8.360 nan 0.000 0.418 280 F N 3.977 123.677 119.950 -0.417 0.000 2.399 280 F HA 0.581 5.108 4.527 -0.000 0.000 0.328 280 F C 0.062 175.893 175.800 0.050 0.000 1.084 280 F CA -0.255 57.529 58.000 -0.360 0.000 1.053 280 F CB 0.945 39.385 39.000 -0.935 0.000 1.209 280 F HN 0.467 nan 8.300 nan 0.000 0.502 281 F N -1.072 118.836 119.950 -0.070 0.000 2.926 281 F HA 0.777 5.304 4.527 -0.000 0.000 0.321 281 F C -0.410 175.412 175.800 0.036 0.000 1.168 281 F CA -0.941 57.122 58.000 0.105 0.000 0.890 281 F CB 1.292 40.422 39.000 0.217 0.000 1.357 281 F HN 0.895 nan 8.300 nan 0.000 0.468 282 G N 0.915 109.656 108.800 -0.100 0.000 2.650 282 G HA2 0.071 4.031 3.960 -0.000 0.000 0.686 282 G HA3 0.071 4.031 3.960 -0.000 0.000 0.686 282 G C -2.516 172.342 174.900 -0.071 0.000 1.205 282 G CA -0.482 44.460 45.100 -0.263 0.000 0.781 282 G HN 0.682 nan 8.290 nan 0.000 0.648 283 P HA -0.164 nan 4.420 nan 0.000 0.217 283 P C 2.024 179.289 177.300 -0.060 0.000 1.148 283 P CA 2.102 65.199 63.100 -0.004 0.000 0.828 283 P CB -0.229 31.465 31.700 -0.009 0.000 0.783 284 G N 0.677 109.415 108.800 -0.104 0.000 2.469 284 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.220 284 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.220 284 G C 1.698 176.503 174.900 -0.158 0.000 1.136 284 G CA 1.225 46.255 45.100 -0.117 0.000 0.759 284 G HN 0.228 nan 8.290 nan 0.000 0.562 285 V N 1.494 121.249 119.914 -0.266 0.000 2.453 285 V HA -0.208 3.912 4.120 -0.000 0.000 0.252 285 V C 3.255 179.170 176.094 -0.299 0.000 1.068 285 V CA 1.860 63.918 62.300 -0.403 0.000 1.070 285 V CB -1.187 30.024 31.823 -1.020 0.000 0.664 285 V HN 0.479 nan 8.190 nan 0.000 0.461 286 A N -0.553 122.157 122.820 -0.183 0.000 2.076 286 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 286 A C 2.186 179.733 177.584 -0.062 0.000 1.160 286 A CA 1.899 53.903 52.037 -0.055 0.000 0.653 286 A CB -0.474 18.535 19.000 0.016 0.000 0.801 286 A HN 0.675 nan 8.150 nan 0.000 0.455 287 Q N -1.396 118.354 119.800 -0.083 0.000 2.432 287 Q HA 0.151 4.491 4.340 -0.000 0.000 0.205 287 Q C -0.677 175.272 176.000 -0.084 0.000 0.945 287 Q CA -0.073 55.690 55.803 -0.066 0.000 0.924 287 Q CB 0.061 28.763 28.738 -0.060 0.000 1.016 287 Q HN 0.427 nan 8.270 nan 0.000 0.503 288 L N 1.366 122.513 121.223 -0.127 0.000 2.276 288 L HA 0.161 4.501 4.340 -0.000 0.000 0.286 288 L C 0.335 177.100 176.870 -0.175 0.000 1.061 288 L CA -0.039 54.702 54.840 -0.165 0.000 0.807 288 L CB 1.389 43.312 42.059 -0.227 0.000 1.177 288 L HN 0.007 nan 8.230 nan 0.000 0.429 289 S N 3.292 118.899 115.700 -0.155 0.000 2.669 289 S HA 0.347 4.817 4.470 -0.000 0.000 0.270 289 S C 1.409 175.860 174.600 -0.249 0.000 1.225 289 S CA -0.801 57.317 58.200 -0.137 0.000 0.991 289 S CB 0.860 64.031 63.200 -0.049 0.000 0.987 289 S HN 0.397 nan 8.310 nan 0.000 0.552 290 I N 0.886 121.284 120.570 -0.287 0.000 2.423 290 I HA -0.171 3.998 4.170 -0.000 0.000 0.254 290 I C 2.633 178.509 176.117 -0.402 0.000 1.151 290 I CA 1.619 62.623 61.300 -0.492 0.000 1.421 290 I CB -2.287 35.110 38.000 -1.004 0.000 1.079 290 I HN 0.864 nan 8.210 nan 0.000 0.431 291 A N 0.266 122.950 122.820 -0.227 0.000 1.929 291 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 291 A C 2.021 179.485 177.584 -0.201 0.000 1.176 291 A CA 1.382 53.334 52.037 -0.140 0.000 0.628 291 A CB -0.389 18.608 19.000 -0.005 0.000 0.816 291 A HN 0.319 nan 8.150 nan 0.000 0.444 292 D N -0.070 120.194 120.400 -0.227 0.000 2.084 292 D HA -0.127 4.513 4.640 -0.000 0.000 0.194 292 D C 2.228 178.279 176.300 -0.414 0.000 0.990 292 D CA 1.280 55.124 54.000 -0.259 0.000 0.826 292 D CB -0.352 40.310 40.800 -0.231 0.000 0.971 292 D HN 0.431 nan 8.370 nan 0.000 0.453 293 R N 0.998 121.114 120.500 -0.639 0.000 2.083 293 R HA -0.060 4.279 4.340 -0.000 0.000 0.237 293 R C 2.404 178.241 176.300 -0.772 0.000 1.137 293 R CA 1.319 56.707 56.100 -1.185 0.000 0.951 293 R CB -0.398 28.980 30.300 -1.537 0.000 0.851 293 R HN 0.089 nan 8.270 nan 0.000 0.434 294 A N 0.622 123.147 122.820 -0.491 0.000 1.908 294 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 294 A C 2.213 179.684 177.584 -0.188 0.000 1.181 294 A CA 2.097 53.964 52.037 -0.283 0.000 0.627 294 A CB -0.943 17.929 19.000 -0.212 0.000 0.818 294 A HN 0.307 nan 8.150 nan 0.000 0.445 295 T N 0.334 114.774 114.554 -0.190 0.000 2.708 295 T HA -0.114 4.235 4.350 -0.000 0.000 0.266 295 T C 1.807 176.476 174.700 -0.052 0.000 1.037 295 T CA 1.585 63.621 62.100 -0.106 0.000 1.146 295 T CB -0.433 68.372 68.868 -0.105 0.000 0.865 295 T HN 0.445 nan 8.240 nan 0.000 0.435 296 I N 1.292 121.800 120.570 -0.103 0.000 2.163 296 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 296 I C 2.930 179.155 176.117 0.180 0.000 1.085 296 I CA 1.285 62.605 61.300 0.034 0.000 1.347 296 I CB -0.530 37.435 38.000 -0.059 0.000 1.044 296 I HN 0.197 nan 8.210 nan 0.000 0.408 297 A N 0.815 123.685 122.820 0.084 0.000 1.933 297 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 297 A C 2.029 179.689 177.584 0.126 0.000 1.175 297 A CA 2.189 54.331 52.037 0.175 0.000 0.628 297 A CB -0.843 18.226 19.000 0.115 0.000 0.814 297 A HN 0.487 nan 8.150 nan 0.000 0.444 298 N N -0.742 118.002 118.700 0.074 0.000 2.453 298 N HA -0.042 4.698 4.740 -0.000 0.000 0.183 298 N C 1.216 176.783 175.510 0.095 0.000 1.041 298 N CA 1.118 54.222 53.050 0.090 0.000 0.900 298 N CB -0.336 38.176 38.487 0.042 0.000 0.961 298 N HN 0.505 nan 8.380 nan 0.000 0.443 299 M N -0.225 119.429 119.600 0.090 0.000 2.493 299 M HA 0.130 4.610 4.480 -0.000 0.000 0.244 299 M C 1.528 177.706 176.300 -0.204 0.000 1.182 299 M CA -0.228 55.111 55.300 0.064 0.000 0.981 299 M CB 0.118 32.827 32.600 0.182 0.000 1.551 299 M HN 0.364 nan 8.290 nan 0.000 0.476 300 C N -0.438 118.654 119.300 -0.347 0.000 2.437 300 C HA 0.071 4.531 4.460 -0.000 0.000 0.283 300 C C -0.327 174.233 174.990 -0.717 0.000 1.424 300 C CA 0.086 58.493 59.018 -1.018 0.000 1.782 300 C CB -1.825 25.688 27.740 -0.377 0.000 1.833 300 C HN 0.315 nan 8.230 nan 0.000 0.532 301 P HA -0.096 nan 4.420 nan 0.000 0.225 301 P C 1.502 178.712 177.300 -0.149 0.000 1.156 301 P CA 1.520 64.518 63.100 -0.169 0.000 0.787 301 P CB -0.260 31.404 31.700 -0.060 0.000 0.802 302 E N 0.138 120.244 120.200 -0.157 0.000 2.204 302 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 302 E C 0.961 177.610 176.600 0.082 0.000 0.989 302 E CA 0.861 57.261 56.400 -0.000 0.000 0.824 302 E CB -0.162 29.596 29.700 0.097 0.000 0.756 302 E HN 0.395 nan 8.360 nan 0.000 0.477 303 Y N -3.294 117.049 120.300 0.071 0.000 2.531 303 Y HA 0.527 5.077 4.550 -0.000 0.000 0.249 303 Y C 1.124 177.054 175.900 0.051 0.000 1.168 303 Y CA -0.149 57.988 58.100 0.063 0.000 1.226 303 Y CB 0.175 38.681 38.460 0.078 0.000 1.177 303 Y HN -0.000 nan 8.280 nan 0.000 0.527 304 G N 0.741 109.512 108.800 -0.050 0.000 2.155 304 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.257 304 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.257 304 G C 0.434 175.333 174.900 -0.002 0.000 0.983 304 G CA 0.076 45.164 45.100 -0.020 0.000 0.676 304 G HN 0.970 nan 8.290 nan 0.000 0.528 305 A N -0.693 122.127 122.820 -0.000 0.000 2.351 305 A HA 0.736 5.055 4.320 -0.000 0.000 0.257 305 A C 1.571 179.147 177.584 -0.013 0.000 1.087 305 A CA 1.173 53.256 52.037 0.077 0.000 0.798 305 A CB 0.427 19.568 19.000 0.235 0.000 1.033 305 A HN 0.586 nan 8.150 nan 0.000 0.488 306 T N 0.859 115.407 114.554 -0.011 0.000 2.708 306 T HA 0.244 4.593 4.350 -0.000 0.000 0.266 306 T C 0.813 175.430 174.700 -0.137 0.000 1.037 306 T CA 1.920 63.920 62.100 -0.166 0.000 1.146 306 T CB -0.190 68.519 68.868 -0.264 0.000 0.865 306 T HN 1.354 nan 8.240 nan 0.000 0.435 307 A N 0.003 122.752 122.820 -0.119 0.000 2.604 307 A HA 0.602 4.922 4.320 -0.000 0.000 0.295 307 A C -0.932 176.639 177.584 -0.023 0.000 1.067 307 A CA -0.742 51.252 52.037 -0.072 0.000 0.683 307 A CB 1.387 20.314 19.000 -0.122 0.000 1.281 307 A HN 0.059 nan 8.150 nan 0.000 0.407 308 T N 1.741 116.392 114.554 0.161 0.000 2.809 308 T HA 0.513 4.863 4.350 -0.000 0.000 0.296 308 T C -1.140 173.750 174.700 0.317 0.000 1.015 308 T CA 0.094 62.366 62.100 0.288 0.000 0.954 308 T CB 0.048 69.203 68.868 0.479 0.000 0.950 308 T HN 0.465 nan 8.240 nan 0.000 0.450 309 F N 3.755 123.724 119.950 0.032 0.000 2.415 309 F HA 0.638 5.165 4.527 -0.000 0.000 0.348 309 F C -1.246 174.552 175.800 -0.003 0.000 1.119 309 F CA -1.702 56.334 58.000 0.059 0.000 1.069 309 F CB 0.596 39.583 39.000 -0.021 0.000 1.124 309 F HN 0.435 nan 8.300 nan 0.000 0.472 310 F N 7.186 126.796 119.950 -0.567 0.000 2.359 310 F HA 0.431 4.958 4.527 -0.000 0.000 0.369 310 F C -2.137 173.251 175.800 -0.686 0.000 1.084 310 F CA -2.610 55.134 58.000 -0.427 0.000 1.096 310 F CB 0.540 39.322 39.000 -0.363 0.000 1.335 310 F HN 0.360 nan 8.300 nan 0.000 0.457 311 P HA -0.088 nan 4.420 nan 0.000 0.269 311 P C -0.445 176.725 177.300 -0.217 0.000 1.205 311 P CA -0.034 62.855 63.100 -0.351 0.000 0.780 311 P CB 0.510 31.973 31.700 -0.396 0.000 0.858 312 V N 2.505 122.343 119.914 -0.127 0.000 2.439 312 V HA 0.154 4.274 4.120 -0.000 0.000 0.271 312 V C 0.601 176.503 176.094 -0.320 0.000 1.040 312 V CA 0.427 62.684 62.300 -0.071 0.000 1.002 312 V CB -0.005 31.887 31.823 0.116 0.000 1.000 312 V HN 0.665 nan 8.190 nan 0.000 0.477 313 D N 3.225 123.462 120.400 -0.271 0.000 2.712 313 D HA 0.247 4.886 4.640 -0.000 0.000 0.252 313 D C 0.933 177.196 176.300 -0.061 0.000 1.123 313 D CA -0.738 52.945 54.000 -0.528 0.000 1.109 313 D CB 0.709 41.358 40.800 -0.251 0.000 1.313 313 D HN 0.204 nan 8.370 nan 0.000 0.629 314 E N -0.633 119.601 120.200 0.057 0.000 2.204 314 E HA -0.075 4.274 4.350 -0.000 0.000 0.194 314 E C 1.743 178.422 176.600 0.131 0.000 0.989 314 E CA 1.001 57.541 56.400 0.233 0.000 0.824 314 E CB -0.468 29.346 29.700 0.190 0.000 0.756 314 E HN 0.339 nan 8.360 nan 0.000 0.477 315 V N 0.172 120.137 119.914 0.084 0.000 2.343 315 V HA -0.264 3.855 4.120 -0.000 0.000 0.247 315 V C 2.284 178.421 176.094 0.072 0.000 1.051 315 V CA 1.868 64.205 62.300 0.061 0.000 1.036 315 V CB -0.752 31.085 31.823 0.024 0.000 0.654 315 V HN 0.233 nan 8.190 nan 0.000 0.451 316 S N 0.384 116.119 115.700 0.059 0.000 2.354 316 S HA -0.158 4.311 4.470 -0.000 0.000 0.219 316 S C 1.981 176.653 174.600 0.119 0.000 1.035 316 S CA 1.672 59.906 58.200 0.058 0.000 1.037 316 S CB -0.403 62.821 63.200 0.041 0.000 0.956 316 S HN 0.375 nan 8.310 nan 0.000 0.428 317 I N 2.121 122.775 120.570 0.141 0.000 2.091 317 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 317 I C 2.272 178.428 176.117 0.065 0.000 1.046 317 I CA 1.692 63.059 61.300 0.112 0.000 1.306 317 I CB -1.331 36.749 38.000 0.133 0.000 1.018 317 I HN 0.333 nan 8.210 nan 0.000 0.404 318 K N -0.480 119.962 120.400 0.069 0.000 2.113 318 K HA -0.261 4.059 4.320 -0.000 0.000 0.208 318 K C 2.245 178.846 176.600 0.002 0.000 1.047 318 K CA 1.767 58.070 56.287 0.027 0.000 0.928 318 K CB -0.443 32.079 32.500 0.037 0.000 0.716 318 K HN 0.276 nan 8.250 nan 0.000 0.446 319 Y N 1.575 121.828 120.300 -0.078 0.000 2.181 319 Y HA -0.191 4.358 4.550 -0.000 0.000 0.288 319 Y C 1.841 177.630 175.900 -0.184 0.000 1.146 319 Y CA 1.293 59.313 58.100 -0.134 0.000 1.164 319 Y CB -0.153 38.229 38.460 -0.130 0.000 0.982 319 Y HN -0.045 nan 8.280 nan 0.000 0.515 320 L N -1.203 120.010 121.223 -0.017 0.000 2.043 320 L HA -0.312 4.028 4.340 -0.000 0.000 0.212 320 L C 2.268 179.017 176.870 -0.201 0.000 1.075 320 L CA 1.514 56.294 54.840 -0.100 0.000 0.752 320 L CB -1.009 41.031 42.059 -0.031 0.000 0.891 320 L HN 0.141 nan 8.230 nan 0.000 0.432 321 V N -0.483 119.334 119.914 -0.162 0.000 2.237 321 V HA -0.323 3.797 4.120 -0.000 0.000 0.245 321 V C 2.386 178.342 176.094 -0.229 0.000 1.046 321 V CA 1.924 64.127 62.300 -0.162 0.000 1.007 321 V CB -0.795 30.961 31.823 -0.112 0.000 0.638 321 V HN 0.493 nan 8.190 nan 0.000 0.445 322 Q N -0.374 119.248 119.800 -0.297 0.000 2.268 322 Q HA -0.221 4.119 4.340 -0.000 0.000 0.210 322 Q C 2.169 177.920 176.000 -0.414 0.000 0.988 322 Q CA 1.934 57.533 55.803 -0.339 0.000 0.883 322 Q CB -0.438 28.048 28.738 -0.420 0.000 0.911 322 Q HN 0.574 nan 8.270 nan 0.000 0.430 323 T N -0.992 113.223 114.554 -0.566 0.000 3.085 323 T HA 0.112 4.461 4.350 -0.000 0.000 0.263 323 T C 0.802 175.361 174.700 -0.235 0.000 1.127 323 T CA 0.871 62.600 62.100 -0.619 0.000 1.103 323 T CB 0.047 68.422 68.868 -0.822 0.000 0.921 323 T HN 0.616 nan 8.240 nan 0.000 0.510 324 G N 1.991 110.681 108.800 -0.183 0.000 2.392 324 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 324 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 324 G C -0.293 174.536 174.900 -0.118 0.000 1.097 324 G CA -0.790 44.244 45.100 -0.109 0.000 0.840 324 G HN 0.444 nan 8.290 nan 0.000 0.492 325 R N 0.812 121.240 120.500 -0.119 0.000 2.435 325 R HA 0.388 4.728 4.340 -0.000 0.000 0.308 325 R C -0.289 175.960 176.300 -0.086 0.000 0.975 325 R CA -0.585 55.451 56.100 -0.107 0.000 0.867 325 R CB 1.107 31.344 30.300 -0.104 0.000 1.171 325 R HN 0.561 nan 8.270 nan 0.000 0.470 326 D N 1.465 121.820 120.400 -0.075 0.000 2.658 326 D HA -0.139 4.501 4.640 -0.000 0.000 0.230 326 D C 0.311 176.579 176.300 -0.053 0.000 1.118 326 D CA 0.221 54.187 54.000 -0.058 0.000 0.848 326 D CB 0.788 41.560 40.800 -0.047 0.000 1.160 326 D HN 0.493 nan 8.370 nan 0.000 0.497 327 E N 1.438 121.608 120.200 -0.050 0.000 2.273 327 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 327 E C 1.964 178.540 176.600 -0.040 0.000 1.002 327 E CA 1.320 57.692 56.400 -0.047 0.000 0.828 327 E CB -0.073 29.599 29.700 -0.046 0.000 0.747 327 E HN 0.704 nan 8.360 nan 0.000 0.491 328 S N 1.357 117.036 115.700 -0.034 0.000 2.359 328 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 328 S C 1.828 176.416 174.600 -0.021 0.000 1.039 328 S CA 0.930 59.115 58.200 -0.025 0.000 1.042 328 S CB -0.173 63.015 63.200 -0.020 0.000 0.915 328 S HN 0.058 nan 8.310 nan 0.000 0.439 329 K N 1.208 121.594 120.400 -0.023 0.000 2.001 329 K HA 0.096 4.416 4.320 -0.000 0.000 0.208 329 K C 2.411 179.000 176.600 -0.018 0.000 1.048 329 K CA 1.276 57.555 56.287 -0.013 0.000 0.932 329 K CB -1.336 31.147 32.500 -0.029 0.000 0.715 329 K HN 0.415 nan 8.250 nan 0.000 0.437 330 V N 2.587 122.481 119.914 -0.034 0.000 2.392 330 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 330 V C 2.597 178.660 176.094 -0.052 0.000 1.059 330 V CA 1.749 64.027 62.300 -0.036 0.000 1.051 330 V CB -0.540 31.258 31.823 -0.042 0.000 0.658 330 V HN 0.387 nan 8.190 nan 0.000 0.455 331 K N 0.087 120.453 120.400 -0.055 0.000 2.009 331 K HA -0.302 4.018 4.320 -0.000 0.000 0.210 331 K C 2.322 178.868 176.600 -0.089 0.000 1.049 331 K CA 2.222 58.464 56.287 -0.075 0.000 0.929 331 K CB -0.162 32.304 32.500 -0.057 0.000 0.714 331 K HN 0.401 nan 8.250 nan 0.000 0.440 332 Q N 1.169 120.934 119.800 -0.058 0.000 2.061 332 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 332 Q C 2.007 177.937 176.000 -0.117 0.000 0.984 332 Q CA 1.878 57.638 55.803 -0.072 0.000 0.846 332 Q CB -0.272 28.474 28.738 0.013 0.000 0.902 332 Q HN 0.457 nan 8.270 nan 0.000 0.421 333 I N -0.160 120.380 120.570 -0.051 0.000 2.248 333 I HA -0.348 3.822 4.170 -0.000 0.000 0.248 333 I C 2.541 178.626 176.117 -0.053 0.000 1.107 333 I CA 1.664 62.963 61.300 -0.002 0.000 1.373 333 I CB -0.323 37.696 38.000 0.032 0.000 1.055 333 I HN 0.233 nan 8.210 nan 0.000 0.418 334 R N 1.253 121.660 120.500 -0.154 0.000 2.115 334 R HA -0.163 4.177 4.340 -0.000 0.000 0.226 334 R C 2.325 178.409 176.300 -0.360 0.000 1.100 334 R CA 1.207 57.102 56.100 -0.341 0.000 0.980 334 R CB -0.047 29.982 30.300 -0.453 0.000 0.875 334 R HN 0.201 nan 8.270 nan 0.000 0.445 335 K N -0.438 119.807 120.400 -0.257 0.000 2.026 335 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 335 K C 2.000 178.444 176.600 -0.261 0.000 1.048 335 K CA 1.573 57.718 56.287 -0.237 0.000 0.929 335 K CB -0.355 32.036 32.500 -0.182 0.000 0.713 335 K HN 0.167 nan 8.250 nan 0.000 0.439 336 Y N 1.736 121.794 120.300 -0.403 0.000 2.097 336 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 336 Y C 1.734 177.442 175.900 -0.321 0.000 1.152 336 Y CA 1.611 59.422 58.100 -0.483 0.000 1.136 336 Y CB -0.645 37.499 38.460 -0.526 0.000 0.975 336 Y HN 0.024 nan 8.280 nan 0.000 0.498 337 L N 0.015 120.886 121.223 -0.586 0.000 2.079 337 L HA -0.300 4.040 4.340 -0.000 0.000 0.210 337 L C 2.638 179.350 176.870 -0.263 0.000 1.081 337 L CA 1.921 56.481 54.840 -0.465 0.000 0.752 337 L CB -0.588 41.452 42.059 -0.032 0.000 0.896 337 L HN 0.316 nan 8.230 nan 0.000 0.433 338 Q N -0.917 118.753 119.800 -0.217 0.000 2.167 338 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 338 Q C 2.378 178.285 176.000 -0.156 0.000 0.970 338 Q CA 1.401 57.136 55.803 -0.112 0.000 0.855 338 Q CB -0.122 28.523 28.738 -0.156 0.000 0.911 338 Q HN 0.570 nan 8.270 nan 0.000 0.438 339 A N -0.072 122.570 122.820 -0.297 0.000 1.873 339 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 339 A C 2.115 179.506 177.584 -0.323 0.000 1.186 339 A CA 1.381 53.218 52.037 -0.333 0.000 0.616 339 A CB -0.751 17.901 19.000 -0.579 0.000 0.823 339 A HN 0.305 nan 8.150 nan 0.000 0.442 340 V N -0.598 119.035 119.914 -0.469 0.000 3.041 340 V HA 0.324 4.444 4.120 -0.000 0.000 0.260 340 V C 1.267 177.373 176.094 0.020 0.000 1.105 340 V CA 1.677 63.859 62.300 -0.196 0.000 1.125 340 V CB -0.483 31.193 31.823 -0.246 0.000 0.730 340 V HN 1.504 nan 8.190 nan 0.000 0.479 341 G N 0.441 109.202 108.800 -0.065 0.000 2.270 341 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.224 341 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.224 341 G C 0.129 174.932 174.900 -0.161 0.000 1.079 341 G CA 0.393 45.473 45.100 -0.034 0.000 0.807 341 G HN 0.454 nan 8.290 nan 0.000 0.492 342 M N -0.811 118.769 119.600 -0.034 0.000 2.340 342 M HA 0.374 4.854 4.480 -0.000 0.000 0.345 342 M C 0.174 176.728 176.300 0.424 0.000 1.008 342 M CA -0.285 55.082 55.300 0.111 0.000 0.987 342 M CB 0.747 33.371 32.600 0.040 0.000 1.598 342 M HN 0.252 nan 8.290 nan 0.000 0.569 343 F N 1.595 121.638 119.950 0.155 0.000 2.411 343 F HA 0.520 5.047 4.527 -0.000 0.000 0.355 343 F C 0.300 176.120 175.800 0.032 0.000 1.117 343 F CA -0.672 57.361 58.000 0.054 0.000 1.139 343 F CB 0.530 39.510 39.000 -0.034 0.000 1.120 343 F HN -0.091 nan 8.300 nan 0.000 0.493 344 R N 3.503 123.504 120.500 -0.832 0.000 2.404 344 R HA 0.298 4.638 4.340 -0.000 0.000 0.291 344 R C -1.433 174.267 176.300 -1.000 0.000 1.025 344 R CA -0.286 55.231 56.100 -0.972 0.000 0.991 344 R CB 0.670 30.172 30.300 -1.331 0.000 1.053 344 R HN 0.627 nan 8.270 nan 0.000 0.479 345 D N 3.135 123.149 120.400 -0.642 0.000 2.408 345 D HA 0.090 4.730 4.640 -0.000 0.000 0.261 345 D C -0.249 175.875 176.300 -0.294 0.000 1.190 345 D CA -0.341 53.437 54.000 -0.369 0.000 0.910 345 D CB 0.190 40.913 40.800 -0.129 0.000 1.097 345 D HN 0.583 nan 8.370 nan 0.000 0.522 346 Y N 1.330 121.555 120.300 -0.125 0.000 2.569 346 Y HA -0.156 4.394 4.550 -0.000 0.000 0.293 346 Y C 2.501 178.387 175.900 -0.022 0.000 1.144 346 Y CA 1.054 59.117 58.100 -0.061 0.000 1.321 346 Y CB 0.138 38.560 38.460 -0.063 0.000 0.982 346 Y HN 0.394 nan 8.280 nan 0.000 0.558 347 S N -1.423 114.328 115.700 0.086 0.000 2.458 347 S HA -0.091 4.379 4.470 -0.000 0.000 0.223 347 S C 0.721 175.351 174.600 0.050 0.000 1.019 347 S CA 0.145 58.383 58.200 0.063 0.000 0.937 347 S CB -0.029 63.198 63.200 0.045 0.000 0.788 347 S HN 0.362 nan 8.310 nan 0.000 0.511 348 D N 2.771 123.193 120.400 0.036 0.000 2.411 348 D HA 0.269 4.909 4.640 -0.000 0.000 0.225 348 D C -2.144 174.191 176.300 0.059 0.000 1.156 348 D CA -1.922 52.101 54.000 0.038 0.000 0.874 348 D CB 1.568 42.383 40.800 0.025 0.000 1.034 348 D HN 0.061 nan 8.370 nan 0.000 0.502 349 P HA -0.098 nan 4.420 nan 0.000 0.226 349 P C 1.390 178.735 177.300 0.076 0.000 1.153 349 P CA 0.638 63.800 63.100 0.103 0.000 0.777 349 P CB 0.189 31.945 31.700 0.093 0.000 0.794 350 S N -1.126 114.602 115.700 0.048 0.000 2.515 350 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 350 S C 1.703 176.315 174.600 0.021 0.000 0.987 350 S CA 0.502 58.718 58.200 0.026 0.000 0.936 350 S CB -0.799 62.412 63.200 0.018 0.000 0.766 350 S HN 0.204 nan 8.310 nan 0.000 0.528 351 Q N 0.793 120.617 119.800 0.040 0.000 2.204 351 Q HA 0.174 4.514 4.340 -0.000 0.000 0.209 351 Q C -1.142 174.898 176.000 0.066 0.000 0.861 351 Q CA -0.286 55.551 55.803 0.057 0.000 0.971 351 Q CB 0.117 28.892 28.738 0.062 0.000 1.095 351 Q HN 0.392 nan 8.270 nan 0.000 0.486 352 D N 2.419 122.838 120.400 0.032 0.000 2.312 352 D HA 0.213 4.853 4.640 -0.000 0.000 0.252 352 D C -2.303 173.865 176.300 -0.221 0.000 1.150 352 D CA -1.571 52.411 54.000 -0.029 0.000 0.870 352 D CB 1.444 42.292 40.800 0.080 0.000 1.153 352 D HN 0.178 nan 8.370 nan 0.000 0.457 353 P HA 0.085 nan 4.420 nan 0.000 0.274 353 P C -0.285 176.457 177.300 -0.930 0.000 1.260 353 P CA -0.301 62.384 63.100 -0.691 0.000 0.793 353 P CB 0.601 31.783 31.700 -0.863 0.000 1.048 354 D N 0.915 120.927 120.400 -0.646 0.000 2.540 354 D HA 0.177 4.817 4.640 -0.000 0.000 0.251 354 D C -0.338 175.836 176.300 -0.211 0.000 1.159 354 D CA -0.279 53.507 54.000 -0.357 0.000 0.974 354 D CB -0.270 40.477 40.800 -0.088 0.000 0.996 354 D HN 0.080 nan 8.370 nan 0.000 0.512 355 F N 0.389 120.341 119.950 0.003 0.000 2.589 355 F HA -0.031 4.496 4.527 -0.000 0.000 0.352 355 F C 2.420 178.345 175.800 0.209 0.000 1.168 355 F CA -0.158 57.892 58.000 0.084 0.000 1.353 355 F CB 0.031 38.998 39.000 -0.054 0.000 1.116 355 F HN 0.059 nan 8.300 nan 0.000 0.608 356 T N -0.320 114.539 114.554 0.507 0.000 2.665 356 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 356 T C 0.470 175.295 174.700 0.208 0.000 1.035 356 T CA 1.839 64.118 62.100 0.299 0.000 1.151 356 T CB -0.320 68.695 68.868 0.245 0.000 0.862 356 T HN 0.730 nan 8.240 nan 0.000 0.438 357 Q N -0.798 119.122 119.800 0.200 0.000 2.590 357 Q HA 0.609 4.949 4.340 -0.000 0.000 0.295 357 Q C -2.288 173.786 176.000 0.125 0.000 0.973 357 Q CA -0.989 54.889 55.803 0.126 0.000 0.768 357 Q CB 1.878 30.652 28.738 0.061 0.000 1.479 357 Q HN 0.063 nan 8.270 nan 0.000 0.419 358 V N 1.302 121.270 119.914 0.089 0.000 2.789 358 V HA 0.710 4.830 4.120 -0.000 0.000 0.311 358 V C -0.511 175.565 176.094 -0.030 0.000 1.073 358 V CA -0.575 61.780 62.300 0.091 0.000 0.921 358 V CB 1.777 33.744 31.823 0.239 0.000 1.009 358 V HN 0.731 nan 8.190 nan 0.000 0.426 359 V N 1.011 120.836 119.914 -0.148 0.000 2.769 359 V HA 0.832 4.951 4.120 -0.000 0.000 0.312 359 V C -0.645 175.338 176.094 -0.186 0.000 1.061 359 V CA -0.605 61.527 62.300 -0.279 0.000 0.931 359 V CB 1.920 33.329 31.823 -0.690 0.000 1.010 359 V HN 0.958 nan 8.190 nan 0.000 0.433 360 E N 1.829 121.991 120.200 -0.063 0.000 2.339 360 E HA 0.821 5.171 4.350 -0.000 0.000 0.262 360 E C -1.996 174.707 176.600 0.171 0.000 0.934 360 E CA -1.102 55.321 56.400 0.038 0.000 0.802 360 E CB 2.424 32.123 29.700 -0.000 0.000 1.275 360 E HN 0.797 nan 8.360 nan 0.000 0.427 361 L N 2.515 123.822 121.223 0.140 0.000 2.596 361 L HA 0.325 4.665 4.340 -0.000 0.000 0.265 361 L C -1.889 174.988 176.870 0.012 0.000 0.962 361 L CA -0.414 54.499 54.840 0.121 0.000 0.891 361 L CB 1.849 44.026 42.059 0.197 0.000 1.248 361 L HN 0.448 nan 8.230 nan 0.000 0.410 362 D N 4.640 125.036 120.400 -0.006 0.000 2.347 362 D HA 0.246 4.886 4.640 -0.000 0.000 0.235 362 D C 1.245 177.520 176.300 -0.042 0.000 1.149 362 D CA -0.116 53.865 54.000 -0.033 0.000 0.850 362 D CB 1.214 41.996 40.800 -0.029 0.000 1.061 362 D HN 0.675 nan 8.370 nan 0.000 0.487 363 L N 3.331 124.518 121.223 -0.060 0.000 2.349 363 L HA -0.168 4.172 4.340 -0.000 0.000 0.220 363 L C 2.042 178.849 176.870 -0.104 0.000 1.130 363 L CA 0.964 55.763 54.840 -0.069 0.000 0.791 363 L CB -0.176 41.836 42.059 -0.078 0.000 0.918 363 L HN 0.258 nan 8.230 nan 0.000 0.444 364 K N -0.890 119.428 120.400 -0.136 0.000 2.555 364 K HA -0.039 4.281 4.320 -0.000 0.000 0.193 364 K C 1.668 178.243 176.600 -0.042 0.000 1.032 364 K CA 0.810 56.957 56.287 -0.234 0.000 1.004 364 K CB -0.061 32.333 32.500 -0.177 0.000 0.804 364 K HN 0.230 nan 8.250 nan 0.000 0.496 365 T N 0.600 115.150 114.554 -0.007 0.000 3.044 365 T HA 0.048 4.398 4.350 -0.000 0.000 0.255 365 T C 0.634 175.361 174.700 0.046 0.000 1.073 365 T CA -0.031 62.088 62.100 0.032 0.000 1.125 365 T CB 0.289 69.157 68.868 0.001 0.000 0.908 365 T HN -0.126 nan 8.240 nan 0.000 0.480 366 V N 3.946 123.883 119.914 0.039 0.000 2.599 366 V HA 0.141 4.261 4.120 -0.000 0.000 0.300 366 V C 0.233 176.374 176.094 0.078 0.000 1.034 366 V CA -0.365 61.962 62.300 0.045 0.000 1.115 366 V CB 0.337 32.181 31.823 0.036 0.000 0.934 366 V HN 0.291 nan 8.190 nan 0.000 0.485 367 V N 3.700 123.648 119.914 0.057 0.000 2.326 367 V HA 0.496 4.616 4.120 -0.000 0.000 0.281 367 V C -2.457 173.667 176.094 0.049 0.000 1.015 367 V CA -2.446 59.885 62.300 0.052 0.000 0.823 367 V CB 0.866 32.708 31.823 0.032 0.000 1.009 367 V HN 0.741 nan 8.190 nan 0.000 0.436 368 P HA 0.436 nan 4.420 nan 0.000 0.267 368 P C -0.193 177.146 177.300 0.065 0.000 1.209 368 P CA 0.096 63.234 63.100 0.064 0.000 0.763 368 P CB 0.289 32.020 31.700 0.052 0.000 0.816 369 C N 1.296 120.644 119.300 0.081 0.000 3.321 369 C HA 0.709 5.169 4.460 -0.000 0.000 0.329 369 C C -0.409 174.644 174.990 0.104 0.000 1.394 369 C CA -0.799 58.271 59.018 0.086 0.000 1.291 369 C CB 0.887 28.668 27.740 0.068 0.000 1.606 369 C HN 0.556 nan 8.230 nan 0.000 0.463 370 C N 0.871 120.242 119.300 0.119 0.000 2.505 370 C HA 0.889 5.348 4.460 -0.000 0.000 0.358 370 C C 0.334 175.431 174.990 0.178 0.000 1.226 370 C CA -0.140 58.972 59.018 0.156 0.000 1.900 370 C CB 1.539 29.375 27.740 0.160 0.000 2.306 370 C HN 0.980 nan 8.230 nan 0.000 0.512 371 S N 0.126 115.938 115.700 0.187 0.000 2.473 371 S HA 0.906 5.376 4.470 -0.000 0.000 0.307 371 S C 0.137 174.788 174.600 0.084 0.000 1.094 371 S CA 0.057 58.316 58.200 0.098 0.000 1.070 371 S CB 1.541 64.743 63.200 0.004 0.000 1.019 371 S HN 1.445 nan 8.310 nan 0.000 0.480 372 G N 2.894 111.669 108.800 -0.043 0.000 2.350 372 G HA2 0.198 4.157 3.960 -0.000 0.000 0.282 372 G HA3 0.198 4.157 3.960 -0.000 0.000 0.282 372 G C -2.982 171.765 174.900 -0.256 0.000 1.314 372 G CA -0.658 44.255 45.100 -0.311 0.000 0.915 372 G HN 0.359 nan 8.290 nan 0.000 0.499 373 P HA 0.190 nan 4.420 nan 0.000 0.249 373 P C 0.787 178.014 177.300 -0.121 0.000 1.229 373 P CA 0.756 63.521 63.100 -0.557 0.000 0.788 373 P CB 0.594 32.279 31.700 -0.024 0.000 1.072 374 K N -0.174 120.202 120.400 -0.040 0.000 2.309 374 K HA 0.225 4.544 4.320 -0.000 0.000 0.210 374 K C 1.011 177.680 176.600 0.115 0.000 1.114 374 K CA 0.775 57.110 56.287 0.080 0.000 0.912 374 K CB 0.443 32.986 32.500 0.072 0.000 1.198 374 K HN -0.037 nan 8.250 nan 0.000 0.471 375 R N 0.447 120.953 120.500 0.010 0.000 2.460 375 R HA 0.267 4.606 4.340 -0.000 0.000 0.303 375 R C -2.218 173.879 176.300 -0.338 0.000 0.968 375 R CA -1.923 54.083 56.100 -0.157 0.000 0.889 375 R CB 1.165 31.393 30.300 -0.120 0.000 1.123 375 R HN -0.084 nan 8.270 nan 0.000 0.455 376 P HA -0.208 nan 4.420 nan 0.000 0.225 376 P C 0.737 177.882 177.300 -0.258 0.000 1.148 376 P CA 1.142 63.904 63.100 -0.564 0.000 0.779 376 P CB 0.243 31.522 31.700 -0.703 0.000 0.780 377 Q N -1.212 118.458 119.800 -0.217 0.000 2.212 377 Q HA -0.011 4.329 4.340 -0.000 0.000 0.199 377 Q C 0.233 176.169 176.000 -0.106 0.000 0.950 377 Q CA 0.598 56.315 55.803 -0.143 0.000 0.863 377 Q CB -0.616 28.031 28.738 -0.151 0.000 0.944 377 Q HN 0.162 nan 8.270 nan 0.000 0.465 378 D N 2.938 123.273 120.400 -0.110 0.000 2.349 378 D HA 0.071 4.711 4.640 -0.000 0.000 0.266 378 D C -0.437 175.854 176.300 -0.014 0.000 1.293 378 D CA 0.520 54.483 54.000 -0.061 0.000 0.926 378 D CB 0.657 41.427 40.800 -0.050 0.000 1.090 378 D HN 0.131 nan 8.370 nan 0.000 0.502 379 K N 1.234 121.634 120.400 -0.000 0.000 2.130 379 K HA 0.491 4.810 4.320 -0.000 0.000 0.268 379 K C -0.269 176.364 176.600 0.055 0.000 0.983 379 K CA -0.878 55.428 56.287 0.031 0.000 0.893 379 K CB 2.686 35.196 32.500 0.017 0.000 1.066 379 K HN 0.194 nan 8.250 nan 0.000 0.450 380 V N 0.802 120.766 119.914 0.083 0.000 2.697 380 V HA 0.453 4.573 4.120 -0.000 0.000 0.300 380 V C -0.737 175.404 176.094 0.079 0.000 1.115 380 V CA -0.741 61.612 62.300 0.088 0.000 0.912 380 V CB 1.536 33.440 31.823 0.134 0.000 1.024 380 V HN 0.908 nan 8.190 nan 0.000 0.431 381 A N 5.107 127.960 122.820 0.053 0.000 2.587 381 A HA 0.308 4.628 4.320 -0.000 0.000 0.233 381 A C 1.290 178.902 177.584 0.047 0.000 1.049 381 A CA 0.830 52.892 52.037 0.041 0.000 0.754 381 A CB 0.540 19.551 19.000 0.017 0.000 0.977 381 A HN 1.609 nan 8.150 nan 0.000 0.509 382 V N 2.692 122.638 119.914 0.054 0.000 2.688 382 V HA -0.218 3.902 4.120 -0.000 0.000 0.256 382 V C 2.434 178.547 176.094 0.031 0.000 1.084 382 V CA 2.497 64.844 62.300 0.078 0.000 1.103 382 V CB -0.776 31.113 31.823 0.110 0.000 0.688 382 V HN 1.114 nan 8.190 nan 0.000 0.480 383 S N -1.288 114.412 115.700 0.001 0.000 2.593 383 S HA -0.005 4.464 4.470 -0.000 0.000 0.217 383 S C 0.963 175.551 174.600 -0.020 0.000 0.966 383 S CA 0.532 58.717 58.200 -0.025 0.000 0.914 383 S CB -0.043 63.132 63.200 -0.042 0.000 0.776 383 S HN 0.585 nan 8.310 nan 0.000 0.523 384 D N 0.367 120.768 120.400 0.002 0.000 2.474 384 D HA 0.277 4.917 4.640 -0.000 0.000 0.213 384 D C 1.601 177.922 176.300 0.034 0.000 1.120 384 D CA -0.028 53.982 54.000 0.018 0.000 0.836 384 D CB -0.048 40.771 40.800 0.031 0.000 1.019 384 D HN 0.161 nan 8.370 nan 0.000 0.507 385 M N 0.985 120.596 119.600 0.020 0.000 2.204 385 M HA -0.254 4.226 4.480 -0.000 0.000 0.255 385 M C 2.085 178.410 176.300 0.041 0.000 1.073 385 M CA 1.664 56.971 55.300 0.012 0.000 1.084 385 M CB -0.884 31.694 32.600 -0.036 0.000 1.289 385 M HN 0.047 nan 8.290 nan 0.000 0.419 386 K N 0.275 120.671 120.400 -0.007 0.000 2.001 386 K HA -0.258 4.062 4.320 -0.000 0.000 0.214 386 K C 2.137 178.798 176.600 0.102 0.000 1.050 386 K CA 2.298 58.601 56.287 0.026 0.000 0.934 386 K CB -0.227 32.255 32.500 -0.029 0.000 0.718 386 K HN 0.231 nan 8.250 nan 0.000 0.443 387 K N 0.741 121.181 120.400 0.067 0.000 2.009 387 K HA -0.240 4.080 4.320 -0.000 0.000 0.210 387 K C 2.082 178.739 176.600 0.096 0.000 1.049 387 K CA 2.251 58.582 56.287 0.073 0.000 0.929 387 K CB -0.377 32.151 32.500 0.046 0.000 0.714 387 K HN 0.264 nan 8.250 nan 0.000 0.440 388 D N -0.494 119.970 120.400 0.108 0.000 2.106 388 D HA -0.213 4.427 4.640 -0.000 0.000 0.191 388 D C 1.905 178.305 176.300 0.166 0.000 0.997 388 D CA 1.397 55.473 54.000 0.126 0.000 0.834 388 D CB -0.113 40.773 40.800 0.144 0.000 0.956 388 D HN 0.270 nan 8.370 nan 0.000 0.448 389 F N 1.702 121.703 119.950 0.086 0.000 2.102 389 F HA -0.102 4.424 4.527 -0.000 0.000 0.298 389 F C 1.821 177.657 175.800 0.059 0.000 1.105 389 F CA 1.235 59.303 58.000 0.113 0.000 1.239 389 F CB -0.161 38.876 39.000 0.062 0.000 0.991 389 F HN -0.105 nan 8.300 nan 0.000 0.474 390 E N -0.369 119.914 120.200 0.139 0.000 2.352 390 E HA -0.013 4.337 4.350 -0.000 0.000 0.197 390 E C 0.835 177.419 176.600 -0.027 0.000 1.224 390 E CA 0.325 56.736 56.400 0.018 0.000 1.118 390 E CB -0.211 29.555 29.700 0.110 0.000 1.198 390 E HN 0.273 nan 8.360 nan 0.000 0.454 391 S N -1.650 114.013 115.700 -0.062 0.000 2.617 391 S HA 0.021 4.491 4.470 -0.000 0.000 0.278 391 S C 1.311 175.884 174.600 -0.044 0.000 1.082 391 S CA -0.430 57.762 58.200 -0.014 0.000 1.228 391 S CB 0.372 63.586 63.200 0.023 0.000 1.130 391 S HN 0.399 nan 8.310 nan 0.000 0.621 392 C N 1.812 121.050 119.300 -0.103 0.000 2.492 392 C HA 0.250 4.710 4.460 -0.000 0.000 0.279 392 C C 2.385 177.369 174.990 -0.010 0.000 1.335 392 C CA 0.149 59.121 59.018 -0.077 0.000 1.734 392 C CB -1.382 26.343 27.740 -0.025 0.000 2.027 392 C HN 0.520 nan 8.230 nan 0.000 0.496 393 L N 1.290 122.415 121.223 -0.163 0.000 2.043 393 L HA -0.134 4.205 4.340 -0.000 0.000 0.212 393 L C 2.732 179.611 176.870 0.015 0.000 1.075 393 L CA 1.992 56.719 54.840 -0.188 0.000 0.752 393 L CB -1.029 40.630 42.059 -0.666 0.000 0.891 393 L HN 0.538 nan 8.230 nan 0.000 0.432 394 G N -0.642 108.196 108.800 0.064 0.000 2.395 394 G HA2 0.044 4.004 3.960 -0.000 0.000 0.214 394 G HA3 0.044 4.004 3.960 -0.000 0.000 0.214 394 G C 0.825 175.776 174.900 0.086 0.000 1.177 394 G CA 0.349 45.576 45.100 0.211 0.000 0.794 394 G HN 0.437 nan 8.290 nan 0.000 0.532 395 A N 0.197 123.036 122.820 0.031 0.000 2.616 395 A HA 0.238 4.558 4.320 -0.000 0.000 0.234 395 A C 0.585 178.155 177.584 -0.024 0.000 1.024 395 A CA 0.205 52.238 52.037 -0.006 0.000 0.758 395 A CB 0.012 18.988 19.000 -0.039 0.000 0.939 395 A HN 0.263 nan 8.150 nan 0.000 0.510 396 K N 1.735 122.122 120.400 -0.022 0.000 2.430 396 K HA 0.030 4.350 4.320 -0.000 0.000 0.280 396 K C 0.699 177.257 176.600 -0.071 0.000 1.063 396 K CA 0.562 56.830 56.287 -0.032 0.000 1.071 396 K CB 0.104 32.591 32.500 -0.022 0.000 0.899 396 K HN 0.692 nan 8.250 nan 0.000 0.473 397 Q N 2.285 122.035 119.800 -0.084 0.000 3.239 397 Q HA -0.171 4.169 4.340 -0.000 0.000 0.348 397 Q C 0.056 175.941 176.000 -0.191 0.000 1.125 397 Q CA 1.133 56.850 55.803 -0.144 0.000 1.204 397 Q CB -0.809 27.864 28.738 -0.108 0.000 1.168 397 Q HN 0.722 nan 8.270 nan 0.000 0.411 398 G N 0.304 108.973 108.800 -0.220 0.000 3.008 398 G HA2 0.352 4.311 3.960 -0.000 0.000 0.181 398 G HA3 0.352 4.311 3.960 -0.000 0.000 0.181 398 G C -0.387 174.319 174.900 -0.323 0.000 1.309 398 G CA -0.614 44.368 45.100 -0.197 0.000 1.009 398 G HN 0.453 nan 8.290 nan 0.000 0.584 399 F N -0.271 119.577 119.950 -0.169 0.000 2.615 399 F HA 0.285 4.812 4.527 -0.000 0.000 0.297 399 F C 1.715 177.367 175.800 -0.247 0.000 1.124 399 F CA 0.827 58.719 58.000 -0.181 0.000 1.451 399 F CB 0.456 39.383 39.000 -0.122 0.000 1.103 399 F HN 0.005 nan 8.300 nan 0.000 0.569 400 K N 0.107 120.455 120.400 -0.086 0.000 3.202 400 K HA 0.474 4.794 4.320 -0.000 0.000 0.206 400 K C -0.182 176.254 176.600 -0.272 0.000 1.142 400 K CA -0.215 55.975 56.287 -0.162 0.000 0.979 400 K CB 0.815 33.294 32.500 -0.034 0.000 0.863 400 K HN 0.125 nan 8.250 nan 0.000 0.479 401 G N -0.045 108.441 108.800 -0.524 0.000 2.768 401 G HA2 0.442 4.402 3.960 -0.000 0.000 0.297 401 G HA3 0.442 4.402 3.960 -0.000 0.000 0.297 401 G C -0.740 173.771 174.900 -0.648 0.000 1.430 401 G CA -0.565 44.267 45.100 -0.446 0.000 1.030 401 G HN 0.151 nan 8.290 nan 0.000 0.553 402 F N 0.455 120.327 119.950 -0.129 0.000 2.729 402 F HA 0.220 4.747 4.527 -0.000 0.000 0.315 402 F C 1.209 176.959 175.800 -0.083 0.000 1.102 402 F CA -0.247 57.683 58.000 -0.117 0.000 1.204 402 F CB 0.384 39.289 39.000 -0.158 0.000 1.052 402 F HN 0.646 nan 8.300 nan 0.000 0.551 403 Q N 1.431 121.279 119.800 0.079 0.000 2.813 403 Q HA -0.105 4.235 4.340 -0.000 0.000 0.110 403 Q C -1.037 175.017 176.000 0.090 0.000 1.481 403 Q CA 0.404 56.249 55.803 0.070 0.000 0.501 403 Q CB -1.233 27.519 28.738 0.023 0.000 0.666 403 Q HN 0.308 nan 8.270 nan 0.000 0.319 404 V N -1.647 118.352 119.914 0.142 0.000 2.841 404 V HA 0.909 5.029 4.120 -0.000 0.000 0.310 404 V C 0.317 176.512 176.094 0.170 0.000 1.090 404 V CA -0.748 61.639 62.300 0.144 0.000 0.930 404 V CB 1.733 33.668 31.823 0.186 0.000 1.014 404 V HN 1.103 nan 8.190 nan 0.000 0.425 405 A N 4.585 127.461 122.820 0.094 0.000 2.603 405 A HA 0.337 4.656 4.320 -0.000 0.000 0.235 405 A C -1.106 176.500 177.584 0.037 0.000 1.035 405 A CA 0.441 52.530 52.037 0.087 0.000 0.755 405 A CB -0.647 18.448 19.000 0.157 0.000 0.954 405 A HN 0.879 nan 8.150 nan 0.000 0.511 406 P HA -0.252 nan 4.420 nan 0.000 0.209 406 P C 1.126 178.280 177.300 -0.243 0.000 1.167 406 P CA 1.755 64.647 63.100 -0.347 0.000 0.941 406 P CB -0.075 31.515 31.700 -0.183 0.000 0.787 407 D N -2.175 118.174 120.400 -0.085 0.000 2.309 407 D HA -0.228 4.412 4.640 -0.000 0.000 0.212 407 D C 1.450 177.734 176.300 -0.027 0.000 0.968 407 D CA 1.178 55.145 54.000 -0.056 0.000 0.882 407 D CB -1.153 39.605 40.800 -0.070 0.000 0.918 407 D HN 0.333 nan 8.370 nan 0.000 0.503 408 H N -0.138 118.934 119.070 0.003 0.000 2.556 408 H HA 0.027 4.583 4.556 -0.000 0.000 0.268 408 H C 1.431 176.869 175.328 0.183 0.000 0.996 408 H CA 0.511 56.592 56.048 0.055 0.000 1.157 408 H CB 0.042 29.851 29.762 0.080 0.000 1.355 408 H HN 0.517 nan 8.280 nan 0.000 0.597 409 H N 0.289 119.463 119.070 0.173 0.000 2.299 409 H HA -0.046 4.509 4.556 -0.000 0.000 0.302 409 H C 0.825 176.257 175.328 0.174 0.000 1.078 409 H CA 0.589 56.769 56.048 0.219 0.000 1.323 409 H CB 0.491 30.341 29.762 0.146 0.000 1.381 409 H HN 0.252 nan 8.280 nan 0.000 0.498 410 N N 2.112 120.936 118.700 0.206 0.000 2.441 410 N HA -0.014 4.726 4.740 -0.000 0.000 0.225 410 N C -0.338 175.148 175.510 -0.040 0.000 1.208 410 N CA 0.185 53.296 53.050 0.102 0.000 0.847 410 N CB -0.164 38.377 38.487 0.091 0.000 1.121 410 N HN 0.371 nan 8.380 nan 0.000 0.479 411 D N 1.079 121.389 120.400 -0.150 0.000 2.223 411 D HA 0.118 4.758 4.640 -0.000 0.000 0.250 411 D C 0.452 176.571 176.300 -0.302 0.000 1.287 411 D CA 0.992 54.787 54.000 -0.342 0.000 0.977 411 D CB 0.402 41.009 40.800 -0.322 0.000 1.177 411 D HN 0.521 nan 8.370 nan 0.000 0.536 412 H N -3.744 115.251 119.070 -0.125 0.000 2.879 412 H HA 0.454 5.010 4.556 -0.000 0.000 0.237 412 H C -1.563 173.750 175.328 -0.025 0.000 1.347 412 H CA -1.085 54.925 56.048 -0.064 0.000 1.386 412 H CB -0.088 29.654 29.762 -0.034 0.000 1.801 412 H HN 0.319 nan 8.280 nan 0.000 0.434 413 K N -0.111 120.456 120.400 0.279 0.000 2.555 413 K HA 0.735 5.055 4.320 -0.000 0.000 0.279 413 K C -1.230 175.444 176.600 0.124 0.000 0.986 413 K CA 0.110 56.519 56.287 0.203 0.000 0.880 413 K CB 2.169 34.757 32.500 0.147 0.000 1.474 413 K HN 1.183 nan 8.250 nan 0.000 0.433 414 T N -1.072 113.527 114.554 0.074 0.000 2.916 414 T HA 0.862 5.211 4.350 -0.000 0.000 0.292 414 T C -0.701 174.036 174.700 0.061 0.000 1.064 414 T CA -0.720 61.348 62.100 -0.053 0.000 1.011 414 T CB 0.827 69.612 68.868 -0.139 0.000 1.152 414 T HN 0.530 nan 8.240 nan 0.000 0.510 415 F N -0.747 119.200 119.950 -0.004 0.000 2.711 415 F HA 0.827 5.354 4.527 -0.000 0.000 0.313 415 F C -1.942 173.885 175.800 0.046 0.000 1.141 415 F CA -1.860 56.152 58.000 0.019 0.000 0.941 415 F CB 1.009 40.017 39.000 0.014 0.000 1.349 415 F HN 0.432 nan 8.300 nan 0.000 0.464 416 I N 2.107 122.881 120.570 0.339 0.000 2.404 416 I HA 0.345 4.515 4.170 -0.000 0.000 0.293 416 I C -1.583 174.818 176.117 0.474 0.000 0.992 416 I CA -0.808 60.635 61.300 0.237 0.000 1.149 416 I CB 1.228 39.291 38.000 0.104 0.000 1.315 416 I HN 0.806 nan 8.210 nan 0.000 0.446 417 Y N 6.444 126.966 120.300 0.370 0.000 2.333 417 Y HA 0.329 4.879 4.550 -0.000 0.000 0.324 417 Y C -0.038 176.043 175.900 0.302 0.000 1.033 417 Y CA -0.738 57.606 58.100 0.408 0.000 1.224 417 Y CB 0.714 39.563 38.460 0.648 0.000 1.120 417 Y HN 0.701 nan 8.280 nan 0.000 0.457 418 N N 4.374 122.911 118.700 -0.273 0.000 2.727 418 N HA -0.208 4.531 4.740 -0.000 0.000 0.251 418 N C -1.173 174.312 175.510 -0.041 0.000 1.040 418 N CA 1.687 54.605 53.050 -0.221 0.000 0.712 418 N CB -1.058 37.218 38.487 -0.351 0.000 0.912 418 N HN 0.750 nan 8.380 nan 0.000 0.545 419 D N -2.371 118.017 120.400 -0.020 0.000 2.809 419 D HA -0.139 4.501 4.640 -0.000 0.000 0.234 419 D C -0.703 175.578 176.300 -0.032 0.000 1.111 419 D CA 1.555 55.543 54.000 -0.021 0.000 0.726 419 D CB -1.416 39.370 40.800 -0.023 0.000 1.089 419 D HN 0.495 nan 8.370 nan 0.000 0.436 420 S N -0.560 115.111 115.700 -0.048 0.000 2.656 420 S HA 0.622 5.092 4.470 -0.000 0.000 0.273 420 S C -0.877 173.483 174.600 -0.400 0.000 1.168 420 S CA -1.016 57.048 58.200 -0.227 0.000 0.817 420 S CB 3.123 66.200 63.200 -0.205 0.000 1.146 420 S HN 0.211 nan 8.310 nan 0.000 0.475 421 E N 0.313 120.067 120.200 -0.743 0.000 2.246 421 E HA 0.638 4.988 4.350 -0.000 0.000 0.266 421 E C -1.917 174.056 176.600 -1.045 0.000 0.880 421 E CA -0.402 55.579 56.400 -0.697 0.000 0.762 421 E CB 0.858 30.322 29.700 -0.394 0.000 1.180 421 E HN 0.446 nan 8.360 nan 0.000 0.416 422 F N 1.028 120.614 119.950 -0.606 0.000 2.588 422 F HA 0.463 4.990 4.527 -0.000 0.000 0.314 422 F C -0.100 175.237 175.800 -0.772 0.000 1.069 422 F CA -0.923 56.702 58.000 -0.626 0.000 0.931 422 F CB 2.497 41.119 39.000 -0.629 0.000 1.260 422 F HN 0.158 nan 8.300 nan 0.000 0.465 423 T N 2.912 117.340 114.554 -0.211 0.000 2.756 423 T HA 0.400 4.750 4.350 -0.000 0.000 0.290 423 T C -0.788 173.909 174.700 -0.004 0.000 0.985 423 T CA -0.376 61.629 62.100 -0.159 0.000 0.955 423 T CB 1.117 69.889 68.868 -0.160 0.000 0.930 423 T HN 0.299 nan 8.240 nan 0.000 0.451 424 L N 3.959 125.242 121.223 0.101 0.000 2.352 424 L HA 0.406 4.746 4.340 -0.000 0.000 0.272 424 L C 0.807 177.768 176.870 0.152 0.000 1.109 424 L CA 0.173 55.122 54.840 0.182 0.000 0.952 424 L CB -0.043 42.178 42.059 0.271 0.000 1.314 424 L HN 0.718 nan 8.230 nan 0.000 0.427 425 S N 2.806 118.589 115.700 0.138 0.000 2.549 425 S HA 0.238 4.708 4.470 -0.000 0.000 0.260 425 S C 0.206 174.915 174.600 0.182 0.000 1.217 425 S CA -0.164 58.124 58.200 0.146 0.000 1.001 425 S CB 0.280 63.564 63.200 0.141 0.000 1.059 425 S HN 0.676 nan 8.310 nan 0.000 0.537 426 H N -1.147 117.995 119.070 0.121 0.000 2.502 426 H HA 0.450 5.006 4.556 -0.000 0.000 0.327 426 H C 1.052 176.430 175.328 0.082 0.000 1.099 426 H CA 0.203 56.328 56.048 0.128 0.000 1.323 426 H CB 0.914 30.775 29.762 0.166 0.000 1.450 426 H HN 0.966 nan 8.280 nan 0.000 0.502 427 G N 2.681 111.540 108.800 0.098 0.000 2.137 427 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.237 427 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.237 427 G C -0.059 174.735 174.900 -0.176 0.000 1.002 427 G CA 0.106 44.981 45.100 -0.376 0.000 0.702 427 G HN 0.529 nan 8.290 nan 0.000 0.515 428 S N -0.071 115.626 115.700 -0.005 0.000 2.481 428 S HA 0.431 4.901 4.470 -0.000 0.000 0.276 428 S C 0.829 175.453 174.600 0.040 0.000 1.247 428 S CA -0.369 57.861 58.200 0.051 0.000 1.053 428 S CB 1.710 64.982 63.200 0.120 0.000 0.925 428 S HN 0.602 nan 8.310 nan 0.000 0.491 429 V N 5.650 125.591 119.914 0.044 0.000 2.421 429 V HA 0.044 4.164 4.120 -0.000 0.000 0.271 429 V C 1.002 177.127 176.094 0.051 0.000 1.031 429 V CA 0.199 62.519 62.300 0.033 0.000 1.032 429 V CB 0.634 32.490 31.823 0.054 0.000 1.009 429 V HN 0.840 nan 8.190 nan 0.000 0.477 430 V N 6.009 125.936 119.914 0.022 0.000 3.263 430 V HA 0.282 4.402 4.120 -0.000 0.000 0.248 430 V C 0.517 176.561 176.094 -0.082 0.000 1.145 430 V CA 0.790 63.092 62.300 0.003 0.000 1.107 430 V CB 0.096 31.904 31.823 -0.026 0.000 0.797 430 V HN 0.657 nan 8.190 nan 0.000 0.467 431 I N -0.302 120.222 120.570 -0.076 0.000 2.892 431 I HA 0.780 4.950 4.170 -0.000 0.000 0.306 431 I C -0.582 175.526 176.117 -0.015 0.000 1.078 431 I CA -0.835 60.410 61.300 -0.090 0.000 1.032 431 I CB 2.184 40.101 38.000 -0.137 0.000 1.229 431 I HN -0.016 nan 8.210 nan 0.000 0.435 432 A N 3.398 126.235 122.820 0.029 0.000 2.686 432 A HA 0.736 5.056 4.320 -0.000 0.000 0.299 432 A C -0.946 176.754 177.584 0.192 0.000 1.151 432 A CA -0.348 51.766 52.037 0.129 0.000 0.851 432 A CB 0.687 19.822 19.000 0.226 0.000 1.448 432 A HN 0.783 nan 8.150 nan 0.000 0.404 433 A N 2.532 125.416 122.820 0.107 0.000 2.288 433 A HA 0.782 5.101 4.320 -0.000 0.000 0.320 433 A C -0.405 177.216 177.584 0.060 0.000 1.217 433 A CA -0.324 51.773 52.037 0.100 0.000 0.840 433 A CB 0.321 19.353 19.000 0.052 0.000 1.179 433 A HN 0.740 nan 8.150 nan 0.000 0.504 434 I N 3.121 123.719 120.570 0.046 0.000 2.307 434 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 434 I C -0.028 176.091 176.117 0.003 0.000 1.021 434 I CA 0.095 61.381 61.300 -0.023 0.000 1.224 434 I CB 1.606 39.525 38.000 -0.135 0.000 1.376 434 I HN 0.640 nan 8.210 nan 0.000 0.470 435 T N 3.132 117.690 114.554 0.007 0.000 2.940 435 T HA 0.347 4.696 4.350 -0.000 0.000 0.288 435 T C -0.011 174.693 174.700 0.006 0.000 1.045 435 T CA -0.770 61.338 62.100 0.014 0.000 1.018 435 T CB 1.686 70.570 68.868 0.026 0.000 1.151 435 T HN 0.596 nan 8.240 nan 0.000 0.529 436 S N 0.749 116.454 115.700 0.008 0.000 2.564 436 S HA 0.463 4.933 4.470 -0.000 0.000 0.278 436 S C 0.173 174.778 174.600 0.009 0.000 1.333 436 S CA -0.731 57.470 58.200 0.002 0.000 1.048 436 S CB 0.935 64.137 63.200 0.004 0.000 0.900 436 S HN 0.586 nan 8.310 nan 0.000 0.505 437 S N 0.846 116.546 115.700 0.001 0.000 2.578 437 S HA 0.441 4.910 4.470 -0.000 0.000 0.283 437 S C 1.515 176.119 174.600 0.006 0.000 1.195 437 S CA -0.196 58.010 58.200 0.010 0.000 1.050 437 S CB 0.863 64.066 63.200 0.006 0.000 1.012 437 S HN 0.934 nan 8.310 nan 0.000 0.511 438 T N 1.237 115.801 114.554 0.016 0.000 2.904 438 T HA -0.016 4.334 4.350 -0.000 0.000 0.267 438 T C 0.947 175.651 174.700 0.007 0.000 1.059 438 T CA 0.303 62.412 62.100 0.015 0.000 1.137 438 T CB -0.520 68.364 68.868 0.027 0.000 0.879 438 T HN 0.597 nan 8.240 nan 0.000 0.467 439 N N 1.532 120.237 118.700 0.008 0.000 2.353 439 N HA -0.070 4.669 4.740 -0.000 0.000 0.248 439 N C 0.803 176.299 175.510 -0.023 0.000 1.240 439 N CA 0.651 53.702 53.050 0.002 0.000 0.862 439 N CB 1.105 39.596 38.487 0.006 0.000 1.086 439 N HN 0.230 nan 8.380 nan 0.000 0.453 440 T N 0.479 115.015 114.554 -0.031 0.000 3.148 440 T HA -0.007 4.343 4.350 -0.000 0.000 0.253 440 T C 1.375 176.022 174.700 -0.088 0.000 1.134 440 T CA 0.920 62.985 62.100 -0.059 0.000 1.051 440 T CB -0.155 68.677 68.868 -0.060 0.000 0.959 440 T HN 0.613 nan 8.240 nan 0.000 0.525 441 S N -0.263 115.387 115.700 -0.084 0.000 2.540 441 S HA 0.115 4.585 4.470 -0.000 0.000 0.218 441 S C 1.596 176.117 174.600 -0.132 0.000 0.977 441 S CA -0.066 58.067 58.200 -0.112 0.000 0.918 441 S CB -0.351 62.797 63.200 -0.087 0.000 0.806 441 S HN 0.435 nan 8.310 nan 0.000 0.496 442 N N 3.524 122.156 118.700 -0.113 0.000 2.094 442 N HA -0.022 4.718 4.740 -0.000 0.000 0.191 442 N C -1.246 174.154 175.510 -0.184 0.000 1.023 442 N CA 1.774 54.756 53.050 -0.113 0.000 0.857 442 N CB -1.153 37.288 38.487 -0.078 0.000 1.013 442 N HN 0.268 nan 8.380 nan 0.000 0.426 443 P HA -0.137 nan 4.420 nan 0.000 0.218 443 P C 1.232 178.200 177.300 -0.554 0.000 1.154 443 P CA 1.474 64.270 63.100 -0.506 0.000 0.872 443 P CB -0.086 31.130 31.700 -0.807 0.000 0.790 444 S N -0.894 114.548 115.700 -0.431 0.000 2.387 444 S HA -0.101 4.368 4.470 -0.000 0.000 0.226 444 S C 1.864 176.404 174.600 -0.101 0.000 1.026 444 S CA 1.424 59.517 58.200 -0.178 0.000 0.972 444 S CB -1.121 62.028 63.200 -0.086 0.000 0.814 444 S HN 0.122 nan 8.310 nan 0.000 0.477 445 V N -1.015 118.829 119.914 -0.116 0.000 3.041 445 V HA 0.074 4.194 4.120 -0.000 0.000 0.260 445 V C 1.821 177.841 176.094 -0.122 0.000 1.105 445 V CA 1.040 63.278 62.300 -0.103 0.000 1.125 445 V CB -0.603 31.178 31.823 -0.069 0.000 0.730 445 V HN 0.309 nan 8.190 nan 0.000 0.479 446 M N -0.041 119.491 119.600 -0.114 0.000 2.419 446 M HA 0.179 4.659 4.480 -0.000 0.000 0.264 446 M C 1.985 178.238 176.300 -0.077 0.000 1.082 446 M CA 1.528 56.768 55.300 -0.099 0.000 1.119 446 M CB -0.475 32.076 32.600 -0.082 0.000 1.398 446 M HN 0.565 nan 8.290 nan 0.000 0.453 447 L N -0.807 120.392 121.223 -0.039 0.000 2.307 447 L HA 0.135 4.475 4.340 -0.000 0.000 0.211 447 L C 2.073 178.890 176.870 -0.089 0.000 1.099 447 L CA 0.856 55.697 54.840 0.001 0.000 0.816 447 L CB -0.485 41.664 42.059 0.150 0.000 0.952 447 L HN 0.258 nan 8.230 nan 0.000 0.455 448 G N -0.479 108.238 108.800 -0.138 0.000 2.408 448 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 448 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 448 G C 1.542 176.243 174.900 -0.333 0.000 1.150 448 G CA 0.565 45.517 45.100 -0.247 0.000 0.776 448 G HN 0.514 nan 8.290 nan 0.000 0.542 449 A N 0.513 123.162 122.820 -0.285 0.000 2.119 449 A HA 0.297 4.617 4.320 -0.000 0.000 0.217 449 A C 2.485 179.933 177.584 -0.226 0.000 1.153 449 A CA 1.756 53.618 52.037 -0.292 0.000 0.692 449 A CB -0.468 18.380 19.000 -0.253 0.000 0.799 449 A HN 0.439 nan 8.150 nan 0.000 0.458 450 G N -0.337 108.357 108.800 -0.178 0.000 2.408 450 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.213 450 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.213 450 G C 1.468 176.261 174.900 -0.177 0.000 1.177 450 G CA 0.633 45.653 45.100 -0.133 0.000 0.802 450 G HN 0.380 nan 8.290 nan 0.000 0.533 451 L N 0.234 121.338 121.223 -0.199 0.000 2.131 451 L HA 0.021 4.360 4.340 -0.000 0.000 0.210 451 L C 2.712 179.443 176.870 -0.232 0.000 1.092 451 L CA 0.621 55.326 54.840 -0.225 0.000 0.759 451 L CB -0.317 41.627 42.059 -0.191 0.000 0.903 451 L HN 0.252 nan 8.230 nan 0.000 0.435 452 L N -0.233 120.837 121.223 -0.255 0.000 2.046 452 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 452 L C 2.723 179.507 176.870 -0.143 0.000 1.077 452 L CA 1.511 56.214 54.840 -0.229 0.000 0.747 452 L CB -0.297 41.566 42.059 -0.327 0.000 0.896 452 L HN 0.170 nan 8.230 nan 0.000 0.432 453 A N 0.378 123.122 122.820 -0.127 0.000 1.849 453 A HA -0.326 3.994 4.320 -0.000 0.000 0.217 453 A C 2.408 179.973 177.584 -0.032 0.000 1.202 453 A CA 2.315 54.334 52.037 -0.029 0.000 0.629 453 A CB -0.888 18.126 19.000 0.024 0.000 0.834 453 A HN 0.531 nan 8.150 nan 0.000 0.447 454 K N -0.177 120.084 120.400 -0.232 0.000 2.077 454 K HA -0.268 4.052 4.320 -0.000 0.000 0.213 454 K C 2.060 178.544 176.600 -0.195 0.000 1.051 454 K CA 2.189 58.132 56.287 -0.572 0.000 0.929 454 K CB -0.228 31.686 32.500 -0.976 0.000 0.715 454 K HN 0.499 nan 8.250 nan 0.000 0.451 455 K N -0.404 119.906 120.400 -0.149 0.000 2.097 455 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 455 K C 2.147 178.743 176.600 -0.007 0.000 1.050 455 K CA 1.065 57.313 56.287 -0.065 0.000 0.938 455 K CB -0.091 32.370 32.500 -0.065 0.000 0.718 455 K HN 0.246 nan 8.250 nan 0.000 0.442 456 A N 0.915 123.734 122.820 -0.002 0.000 1.930 456 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 456 A C 2.309 179.922 177.584 0.048 0.000 1.175 456 A CA 1.188 53.236 52.037 0.019 0.000 0.627 456 A CB -0.449 18.560 19.000 0.015 0.000 0.815 456 A HN 0.063 nan 8.150 nan 0.000 0.443 457 V N 0.477 120.447 119.914 0.094 0.000 2.453 457 V HA -0.172 3.947 4.120 -0.000 0.000 0.247 457 V C 1.802 177.957 176.094 0.100 0.000 1.048 457 V CA 2.083 64.452 62.300 0.116 0.000 1.049 457 V CB -0.716 31.232 31.823 0.208 0.000 0.672 457 V HN 0.456 nan 8.190 nan 0.000 0.457 458 D N 0.576 121.045 120.400 0.115 0.000 2.351 458 D HA -0.038 4.602 4.640 -0.000 0.000 0.216 458 D C 1.422 177.751 176.300 0.050 0.000 0.968 458 D CA 1.221 55.272 54.000 0.086 0.000 0.899 458 D CB -0.019 40.824 40.800 0.071 0.000 0.907 458 D HN 0.479 nan 8.370 nan 0.000 0.514 459 A N -1.005 121.839 122.820 0.041 0.000 2.630 459 A HA 0.560 4.880 4.320 -0.000 0.000 0.290 459 A C 1.680 179.277 177.584 0.023 0.000 1.267 459 A CA 0.423 52.477 52.037 0.029 0.000 0.950 459 A CB -0.062 18.953 19.000 0.025 0.000 1.144 459 A HN 0.123 nan 8.150 nan 0.000 0.527 460 G N -0.341 108.474 108.800 0.025 0.000 2.270 460 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.268 460 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.268 460 G C 0.456 175.364 174.900 0.014 0.000 0.982 460 G CA 0.711 45.822 45.100 0.018 0.000 0.628 460 G HN 0.528 nan 8.290 nan 0.000 0.544 461 L N 1.123 122.354 121.223 0.013 0.000 2.483 461 L HA 0.303 4.642 4.340 -0.000 0.000 0.277 461 L C 1.052 177.928 176.870 0.009 0.000 1.248 461 L CA 0.784 55.627 54.840 0.005 0.000 0.825 461 L CB 0.159 42.219 42.059 0.001 0.000 1.096 461 L HN 0.726 nan 8.230 nan 0.000 0.512 462 N N -0.696 118.003 118.700 -0.000 0.000 3.526 462 N HA 0.458 5.198 4.740 -0.000 0.000 0.328 462 N C -1.631 173.858 175.510 -0.035 0.000 1.601 462 N CA -0.570 52.473 53.050 -0.012 0.000 0.834 462 N CB 2.088 40.567 38.487 -0.013 0.000 1.983 462 N HN 0.229 nan 8.380 nan 0.000 0.579 463 V N 1.036 120.900 119.914 -0.082 0.000 2.567 463 V HA 0.243 4.363 4.120 -0.000 0.000 0.298 463 V C -0.649 175.295 176.094 -0.251 0.000 1.047 463 V CA -1.022 61.188 62.300 -0.150 0.000 0.880 463 V CB 1.601 33.321 31.823 -0.172 0.000 1.009 463 V HN 0.545 nan 8.190 nan 0.000 0.429 464 K N 4.838 125.040 120.400 -0.330 0.000 2.547 464 K HA -0.113 4.207 4.320 -0.000 0.000 0.275 464 K C -1.777 174.412 176.600 -0.685 0.000 1.001 464 K CA -0.475 55.470 56.287 -0.570 0.000 1.111 464 K CB 0.354 32.303 32.500 -0.918 0.000 0.832 464 K HN 0.313 nan 8.250 nan 0.000 0.485 465 P HA -0.202 nan 4.420 nan 0.000 0.215 465 P C 1.159 178.192 177.300 -0.446 0.000 1.157 465 P CA 1.522 64.489 63.100 -0.221 0.000 0.874 465 P CB -0.241 31.576 31.700 0.194 0.000 0.790 466 Y N -1.630 118.239 120.300 -0.718 0.000 2.651 466 Y HA 0.072 4.622 4.550 -0.000 0.000 0.296 466 Y C 0.389 175.948 175.900 -0.569 0.000 1.150 466 Y CA -0.433 57.034 58.100 -1.055 0.000 1.348 466 Y CB -1.780 36.136 38.460 -0.906 0.000 0.983 466 Y HN -0.301 nan 8.280 nan 0.000 0.555 467 V N 2.556 122.003 119.914 -0.778 0.000 2.555 467 V HA 0.037 4.157 4.120 -0.000 0.000 0.286 467 V C 0.276 176.177 176.094 -0.322 0.000 1.044 467 V CA -0.744 61.262 62.300 -0.490 0.000 1.026 467 V CB 0.870 32.387 31.823 -0.509 0.000 0.981 467 V HN 0.144 nan 8.190 nan 0.000 0.480 468 K N 4.649 124.912 120.400 -0.228 0.000 2.220 468 K HA 0.244 4.564 4.320 -0.000 0.000 0.283 468 K C 0.142 176.652 176.600 -0.151 0.000 1.098 468 K CA -0.037 56.144 56.287 -0.177 0.000 0.928 468 K CB -0.193 32.205 32.500 -0.170 0.000 1.214 468 K HN 0.921 nan 8.250 nan 0.000 0.442 469 T N 0.666 115.098 114.554 -0.202 0.000 2.824 469 T HA 0.734 5.084 4.350 -0.000 0.000 0.280 469 T C -0.310 174.348 174.700 -0.071 0.000 0.995 469 T CA -0.859 61.113 62.100 -0.213 0.000 1.009 469 T CB 1.318 69.715 68.868 -0.785 0.000 0.955 469 T HN 0.404 nan 8.240 nan 0.000 0.452 470 S N 2.021 117.825 115.700 0.173 0.000 2.618 470 S HA 0.786 5.256 4.470 -0.000 0.000 0.277 470 S C -1.423 173.340 174.600 0.272 0.000 1.138 470 S CA -1.070 57.236 58.200 0.177 0.000 0.844 470 S CB 1.789 65.040 63.200 0.085 0.000 1.127 470 S HN 0.960 nan 8.310 nan 0.000 0.474 471 L N 1.256 122.578 121.223 0.165 0.000 2.573 471 L HA 0.611 4.951 4.340 -0.000 0.000 0.260 471 L C -1.275 175.630 176.870 0.059 0.000 0.997 471 L CA 0.047 54.952 54.840 0.109 0.000 0.890 471 L CB 1.624 43.762 42.059 0.132 0.000 1.179 471 L HN 0.776 nan 8.230 nan 0.000 0.439 472 S N 6.036 121.759 115.700 0.039 0.000 2.328 472 S HA 0.392 4.862 4.470 -0.000 0.000 0.204 472 S C -1.995 172.615 174.600 0.017 0.000 1.475 472 S CA -0.803 57.414 58.200 0.028 0.000 1.148 472 S CB 0.916 64.133 63.200 0.028 0.000 1.077 472 S HN 0.527 nan 8.310 nan 0.000 0.479 473 P HA 0.083 nan 4.420 nan 0.000 0.223 473 P C 0.828 178.134 177.300 0.009 0.000 1.151 473 P CA 0.827 63.930 63.100 0.005 0.000 0.787 473 P CB -0.077 31.627 31.700 0.007 0.000 0.788 474 G N -0.708 108.101 108.800 0.015 0.000 2.731 474 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 474 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 474 G C -0.034 174.878 174.900 0.021 0.000 1.395 474 G CA -0.503 44.608 45.100 0.017 0.000 0.870 474 G HN 0.131 nan 8.290 nan 0.000 0.591 475 S N 0.310 116.024 115.700 0.024 0.000 2.592 475 S HA 0.678 5.148 4.470 -0.000 0.000 0.256 475 S C 1.245 175.872 174.600 0.045 0.000 1.369 475 S CA 1.539 59.758 58.200 0.032 0.000 0.984 475 S CB 0.895 64.114 63.200 0.030 0.000 0.919 475 S HN 2.638 nan 8.310 nan 0.000 0.576 476 G N -0.822 108.020 108.800 0.071 0.000 2.362 476 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.517 476 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.517 476 G C 0.312 175.312 174.900 0.166 0.000 1.256 476 G CA -0.411 44.745 45.100 0.092 0.000 1.027 476 G HN 0.662 nan 8.290 nan 0.000 0.491 477 V N 0.227 120.225 119.914 0.141 0.000 2.469 477 V HA -0.166 3.954 4.120 -0.000 0.000 0.251 477 V C 3.028 179.303 176.094 0.301 0.000 1.064 477 V CA 2.435 64.864 62.300 0.215 0.000 1.066 477 V CB -0.632 31.252 31.823 0.102 0.000 0.667 477 V HN 1.200 nan 8.190 nan 0.000 0.461 478 V N 0.352 120.346 119.914 0.134 0.000 2.453 478 V HA -0.324 3.796 4.120 -0.000 0.000 0.252 478 V C 2.462 178.668 176.094 0.188 0.000 1.068 478 V CA 2.960 65.322 62.300 0.103 0.000 1.070 478 V CB -0.561 31.271 31.823 0.014 0.000 0.664 478 V HN 0.729 nan 8.190 nan 0.000 0.461 479 T N -0.482 114.167 114.554 0.158 0.000 2.635 479 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 479 T C 1.589 176.322 174.700 0.055 0.000 1.040 479 T CA 2.498 64.636 62.100 0.064 0.000 1.156 479 T CB -0.575 68.281 68.868 -0.021 0.000 0.863 479 T HN 0.646 nan 8.240 nan 0.000 0.430 480 Y N -0.013 120.345 120.300 0.097 0.000 2.128 480 Y HA -0.176 4.374 4.550 -0.000 0.000 0.284 480 Y C 2.412 178.336 175.900 0.041 0.000 1.154 480 Y CA 1.331 59.463 58.100 0.053 0.000 1.149 480 Y CB -0.685 37.794 38.460 0.031 0.000 0.976 480 Y HN 0.203 nan 8.280 nan 0.000 0.505 481 Y N -0.370 120.024 120.300 0.158 0.000 2.207 481 Y HA -0.270 4.279 4.550 -0.000 0.000 0.287 481 Y C 2.236 178.153 175.900 0.028 0.000 1.156 481 Y CA 1.348 59.496 58.100 0.081 0.000 1.182 481 Y CB -0.667 37.825 38.460 0.053 0.000 0.979 481 Y HN 0.103 nan 8.280 nan 0.000 0.521 482 L N -1.007 120.308 121.223 0.153 0.000 2.022 482 L HA -0.151 4.189 4.340 -0.000 0.000 0.204 482 L C 2.662 179.541 176.870 0.016 0.000 1.076 482 L CA 1.238 56.116 54.840 0.062 0.000 0.749 482 L CB -0.605 41.480 42.059 0.043 0.000 0.903 482 L HN 0.038 nan 8.230 nan 0.000 0.439 483 R N 0.578 121.073 120.500 -0.009 0.000 2.097 483 R HA -0.252 4.088 4.340 -0.000 0.000 0.236 483 R C 2.189 178.466 176.300 -0.038 0.000 1.135 483 R CA 2.089 58.164 56.100 -0.042 0.000 0.934 483 R CB -0.189 30.052 30.300 -0.098 0.000 0.846 483 R HN 0.165 nan 8.270 nan 0.000 0.431 484 E N 0.156 120.340 120.200 -0.026 0.000 2.187 484 E HA -0.160 4.190 4.350 -0.000 0.000 0.199 484 E C 1.552 178.124 176.600 -0.046 0.000 1.004 484 E CA 1.882 58.280 56.400 -0.004 0.000 0.813 484 E CB 0.007 29.726 29.700 0.031 0.000 0.736 484 E HN 0.511 nan 8.360 nan 0.000 0.468 485 S N -1.714 113.942 115.700 -0.073 0.000 2.577 485 S HA 0.233 4.703 4.470 -0.000 0.000 0.219 485 S C 1.339 175.850 174.600 -0.149 0.000 0.962 485 S CA 0.150 58.257 58.200 -0.154 0.000 0.921 485 S CB 0.292 63.430 63.200 -0.105 0.000 0.789 485 S HN 0.301 nan 8.310 nan 0.000 0.497 486 G N 1.062 109.811 108.800 -0.084 0.000 2.421 486 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.300 486 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.300 486 G C 0.415 175.335 174.900 0.033 0.000 0.974 486 G CA 0.492 45.574 45.100 -0.030 0.000 1.062 486 G HN 0.647 nan 8.290 nan 0.000 0.514 487 V N -0.356 119.571 119.914 0.021 0.000 3.644 487 V HA 0.097 4.217 4.120 -0.000 0.000 0.267 487 V C 2.531 178.708 176.094 0.138 0.000 1.277 487 V CA 1.604 63.935 62.300 0.051 0.000 1.096 487 V CB 0.108 31.902 31.823 -0.048 0.000 0.828 487 V HN 0.543 nan 8.190 nan 0.000 0.446 488 M N 1.082 120.733 119.600 0.085 0.000 2.088 488 M HA -0.149 4.331 4.480 -0.000 0.000 0.256 488 M C -0.273 176.083 176.300 0.092 0.000 1.071 488 M CA 2.758 58.101 55.300 0.071 0.000 1.097 488 M CB -1.293 31.326 32.600 0.032 0.000 1.315 488 M HN 0.182 nan 8.290 nan 0.000 0.406 489 P HA -0.209 nan 4.420 nan 0.000 0.217 489 P C 0.850 178.115 177.300 -0.058 0.000 1.158 489 P CA 1.714 64.797 63.100 -0.028 0.000 0.887 489 P CB -0.299 31.336 31.700 -0.108 0.000 0.792 490 Y N -1.480 118.815 120.300 -0.008 0.000 2.220 490 Y HA -0.047 4.502 4.550 -0.000 0.000 0.291 490 Y C 2.363 178.283 175.900 0.034 0.000 1.129 490 Y CA 0.724 58.825 58.100 0.002 0.000 1.161 490 Y CB -1.471 36.983 38.460 -0.011 0.000 0.997 490 Y HN -0.161 nan 8.280 nan 0.000 0.522 491 L N -0.986 120.372 121.223 0.224 0.000 2.127 491 L HA -0.274 4.065 4.340 -0.000 0.000 0.211 491 L C 2.683 179.669 176.870 0.192 0.000 1.089 491 L CA 1.593 56.560 54.840 0.212 0.000 0.757 491 L CB -0.589 41.560 42.059 0.151 0.000 0.899 491 L HN 0.224 nan 8.230 nan 0.000 0.434 492 S N -0.572 115.191 115.700 0.104 0.000 2.345 492 S HA -0.286 4.184 4.470 -0.000 0.000 0.220 492 S C 2.001 176.600 174.600 -0.001 0.000 1.031 492 S CA 1.651 59.874 58.200 0.039 0.000 0.996 492 S CB -0.151 63.052 63.200 0.005 0.000 0.882 492 S HN 0.472 nan 8.310 nan 0.000 0.445 493 Q N -0.061 119.733 119.800 -0.009 0.000 2.197 493 Q HA -0.077 4.263 4.340 -0.000 0.000 0.207 493 Q C 1.785 177.766 176.000 -0.032 0.000 0.984 493 Q CA 1.450 57.233 55.803 -0.033 0.000 0.869 493 Q CB -0.180 28.528 28.738 -0.050 0.000 0.906 493 Q HN 0.579 nan 8.270 nan 0.000 0.426 494 L N -1.300 119.926 121.223 0.005 0.000 2.599 494 L HA 0.157 4.497 4.340 -0.000 0.000 0.230 494 L C 1.194 177.892 176.870 -0.286 0.000 1.141 494 L CA 0.527 55.342 54.840 -0.043 0.000 0.877 494 L CB 0.252 42.390 42.059 0.133 0.000 1.009 494 L HN 0.542 nan 8.230 nan 0.000 0.447 495 G N -0.492 108.143 108.800 -0.275 0.000 2.184 495 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.206 495 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.206 495 G C 0.035 174.622 174.900 -0.523 0.000 0.995 495 G CA -0.649 44.190 45.100 -0.435 0.000 0.651 495 G HN 0.199 nan 8.290 nan 0.000 0.511 496 F N 2.502 122.439 119.950 -0.023 0.000 2.291 496 F HA 0.459 4.986 4.527 -0.000 0.000 0.368 496 F C 0.078 175.871 175.800 -0.012 0.000 1.085 496 F CA -0.882 57.107 58.000 -0.017 0.000 1.165 496 F CB 0.908 39.900 39.000 -0.014 0.000 1.429 496 F HN -0.109 nan 8.300 nan 0.000 0.503 497 D N 1.829 122.289 120.400 0.100 0.000 2.252 497 D HA 0.406 5.046 4.640 -0.000 0.000 0.245 497 D C 0.134 176.467 176.300 0.056 0.000 1.009 497 D CA -0.221 53.815 54.000 0.060 0.000 0.870 497 D CB 3.162 43.971 40.800 0.016 0.000 1.251 497 D HN 0.067 nan 8.370 nan 0.000 0.460 513 L N 1.799 123.075 121.223 0.088 0.000 2.439 513 L HA 0.636 4.976 4.340 -0.000 0.000 0.261 513 L C -1.989 174.872 176.870 -0.015 0.000 1.153 513 L CA -1.779 53.029 54.840 -0.053 0.000 0.808 513 L CB -1.061 40.917 42.059 -0.134 0.000 1.126 513 L HN 0.168 nan 8.230 nan 0.000 0.460 514 P HA -0.068 nan 4.420 nan 0.000 0.266 514 P C 0.668 177.969 177.300 0.001 0.000 1.180 514 P CA 0.025 63.145 63.100 0.033 0.000 0.765 514 P CB 0.514 32.237 31.700 0.038 0.000 0.806 515 E N 4.009 124.237 120.200 0.047 0.000 2.070 515 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 515 E C -0.867 175.726 176.600 -0.013 0.000 1.004 515 E CA 2.280 58.694 56.400 0.024 0.000 0.805 515 E CB -1.704 28.022 29.700 0.043 0.000 0.744 515 E HN 0.354 nan 8.360 nan 0.000 0.451 516 P HA -0.129 nan 4.420 nan 0.000 0.213 516 P C 1.798 178.898 177.300 -0.333 0.000 1.170 516 P CA 1.373 64.435 63.100 -0.063 0.000 0.898 516 P CB -0.083 31.669 31.700 0.087 0.000 0.787 517 V N -0.477 119.091 119.914 -0.577 0.000 2.380 517 V HA -0.220 3.899 4.120 -0.000 0.000 0.251 517 V C 2.450 178.357 176.094 -0.312 0.000 1.063 517 V CA 1.794 63.667 62.300 -0.712 0.000 1.055 517 V CB -1.323 30.162 31.823 -0.563 0.000 0.657 517 V HN -0.028 nan 8.190 nan 0.000 0.455 518 V N -0.115 119.696 119.914 -0.171 0.000 2.295 518 V HA -0.275 3.844 4.120 -0.000 0.000 0.246 518 V C 2.404 178.469 176.094 -0.047 0.000 1.049 518 V CA 2.188 64.446 62.300 -0.070 0.000 1.024 518 V CB -0.665 31.144 31.823 -0.024 0.000 0.648 518 V HN 0.620 nan 8.190 nan 0.000 0.447 519 E N 0.491 120.663 120.200 -0.046 0.000 2.017 519 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 519 E C 2.387 178.991 176.600 0.007 0.000 0.997 519 E CA 1.350 57.746 56.400 -0.006 0.000 0.804 519 E CB -0.479 29.229 29.700 0.013 0.000 0.757 519 E HN 0.554 nan 8.360 nan 0.000 0.448 520 A N 1.415 124.233 122.820 -0.004 0.000 1.915 520 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 520 A C 2.214 179.828 177.584 0.049 0.000 1.198 520 A CA 1.664 53.737 52.037 0.060 0.000 0.647 520 A CB -0.879 18.188 19.000 0.111 0.000 0.825 520 A HN 0.185 nan 8.150 nan 0.000 0.456 521 I N -0.269 120.305 120.570 0.006 0.000 2.090 521 I HA -0.252 3.918 4.170 -0.000 0.000 0.236 521 I C 2.974 179.117 176.117 0.044 0.000 1.064 521 I CA 2.002 63.321 61.300 0.031 0.000 1.324 521 I CB -0.932 37.075 38.000 0.010 0.000 1.044 521 I HN 0.577 nan 8.210 nan 0.000 0.399 522 T N -1.000 113.572 114.554 0.029 0.000 2.708 522 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 522 T C 1.772 176.495 174.700 0.038 0.000 1.037 522 T CA 1.173 63.292 62.100 0.032 0.000 1.146 522 T CB -0.603 68.278 68.868 0.022 0.000 0.865 522 T HN 0.369 nan 8.240 nan 0.000 0.435 523 Q N 1.177 121.000 119.800 0.039 0.000 1.891 523 Q HA -0.002 4.338 4.340 -0.000 0.000 0.214 523 Q C 2.737 178.770 176.000 0.055 0.000 0.995 523 Q CA 1.572 57.402 55.803 0.045 0.000 0.866 523 Q CB -0.944 27.824 28.738 0.050 0.000 0.931 523 Q HN 0.673 nan 8.270 nan 0.000 0.422 524 G N 1.229 110.068 108.800 0.065 0.000 2.740 524 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.208 524 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.208 524 G C -0.326 174.621 174.900 0.077 0.000 1.148 524 G CA 0.569 45.711 45.100 0.070 0.000 0.795 524 G HN 0.606 nan 8.290 nan 0.000 0.526 525 D N -1.016 119.427 120.400 0.071 0.000 3.218 525 D HA -0.154 4.486 4.640 -0.000 0.000 0.213 525 D C 0.045 176.426 176.300 0.134 0.000 1.192 525 D CA 0.525 54.571 54.000 0.076 0.000 0.940 525 D CB -0.966 39.863 40.800 0.047 0.000 0.841 525 D HN 0.297 nan 8.370 nan 0.000 0.391 526 L N 2.201 123.515 121.223 0.151 0.000 2.319 526 L HA 0.601 4.941 4.340 -0.000 0.000 0.267 526 L C 0.406 177.366 176.870 0.150 0.000 1.011 526 L CA -1.453 53.554 54.840 0.279 0.000 0.818 526 L CB 1.844 44.048 42.059 0.242 0.000 1.316 526 L HN 0.139 nan 8.230 nan 0.000 0.432 527 V N 2.299 122.239 119.914 0.044 0.000 2.221 527 V HA 0.545 4.665 4.120 -0.000 0.000 0.258 527 V C 0.567 176.632 176.094 -0.050 0.000 1.179 527 V CA -0.424 61.752 62.300 -0.206 0.000 1.022 527 V CB 0.219 31.614 31.823 -0.713 0.000 1.228 527 V HN 0.791 nan 8.190 nan 0.000 0.487 528 A N 5.755 128.587 122.820 0.020 0.000 2.406 528 A HA 0.646 4.966 4.320 -0.000 0.000 0.243 528 A C -0.118 177.488 177.584 0.036 0.000 1.082 528 A CA -0.097 51.964 52.037 0.039 0.000 0.786 528 A CB 0.783 19.805 19.000 0.037 0.000 1.029 528 A HN 0.854 nan 8.150 nan 0.000 0.495 529 V N -0.011 119.919 119.914 0.027 0.000 2.715 529 V HA 0.725 4.845 4.120 -0.000 0.000 0.310 529 V C 0.601 176.724 176.094 0.048 0.000 1.054 529 V CA -0.018 62.318 62.300 0.059 0.000 0.928 529 V CB 2.042 33.852 31.823 -0.022 0.000 1.007 529 V HN 1.253 nan 8.190 nan 0.000 0.437 530 G N 1.869 110.722 108.800 0.088 0.000 2.644 530 G HA2 0.585 4.545 3.960 -0.000 0.000 0.300 530 G HA3 0.585 4.545 3.960 -0.000 0.000 0.300 530 G C -1.261 173.683 174.900 0.073 0.000 1.395 530 G CA -0.405 44.720 45.100 0.042 0.000 0.964 530 G HN 0.500 nan 8.290 nan 0.000 0.511 531 V N 3.506 123.444 119.914 0.040 0.000 2.439 531 V HA 0.532 4.652 4.120 -0.000 0.000 0.282 531 V C -0.019 176.106 176.094 0.051 0.000 1.039 531 V CA -0.313 62.010 62.300 0.039 0.000 0.913 531 V CB 1.152 32.974 31.823 -0.002 0.000 0.983 531 V HN 0.572 nan 8.190 nan 0.000 0.460 532 L N 4.106 125.370 121.223 0.070 0.000 2.386 532 L HA 0.647 4.987 4.340 -0.000 0.000 0.271 532 L C -0.248 176.669 176.870 0.079 0.000 0.993 532 L CA -0.283 54.593 54.840 0.061 0.000 0.819 532 L CB 2.233 44.315 42.059 0.038 0.000 1.294 532 L HN 0.589 nan 8.230 nan 0.000 0.414 533 S N 1.184 116.916 115.700 0.054 0.000 2.500 533 S HA 0.935 5.405 4.470 -0.000 0.000 0.301 533 S C -0.270 174.356 174.600 0.044 0.000 1.092 533 S CA 0.240 58.467 58.200 0.045 0.000 1.030 533 S CB 1.538 64.739 63.200 0.003 0.000 1.031 533 S HN 1.103 nan 8.310 nan 0.000 0.483 534 G N 3.441 112.272 108.800 0.052 0.000 2.515 534 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.686 534 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.686 534 G C -0.083 174.863 174.900 0.076 0.000 1.274 534 G CA -0.163 44.966 45.100 0.049 0.000 0.874 534 G HN 0.872 nan 8.290 nan 0.000 0.631 535 N N -1.018 117.723 118.700 0.068 0.000 2.273 535 N HA 0.032 4.772 4.740 -0.000 0.000 0.192 535 N C 0.592 176.155 175.510 0.087 0.000 1.132 535 N CA -0.603 52.496 53.050 0.083 0.000 0.887 535 N CB 0.457 38.980 38.487 0.060 0.000 1.048 535 N HN 0.384 nan 8.380 nan 0.000 0.490 536 R N 2.730 123.272 120.500 0.069 0.000 2.903 536 R HA -0.020 4.320 4.340 -0.000 0.000 0.315 536 R C -0.287 176.059 176.300 0.077 0.000 1.219 536 R CA 0.362 56.499 56.100 0.063 0.000 0.977 536 R CB -1.726 28.602 30.300 0.047 0.000 1.042 536 R HN 0.466 nan 8.270 nan 0.000 0.466 537 N N 0.688 119.446 118.700 0.096 0.000 4.257 537 N HA -0.295 4.445 4.740 -0.000 0.000 0.328 537 N C -0.563 175.053 175.510 0.177 0.000 2.076 537 N CA 0.915 54.036 53.050 0.118 0.000 3.019 537 N CB -0.398 38.135 38.487 0.078 0.000 0.311 537 N HN 0.416 nan 8.380 nan 0.000 0.810 538 F N 1.856 121.822 119.950 0.027 0.000 2.496 538 F HA 0.343 4.870 4.527 -0.000 0.000 0.274 538 F C 1.916 177.735 175.800 0.031 0.000 0.924 538 F CA 0.913 58.931 58.000 0.029 0.000 1.147 538 F CB -0.184 38.831 39.000 0.025 0.000 0.969 538 F HN 0.718 nan 8.300 nan 0.000 0.749 539 E N -0.200 120.157 120.200 0.261 0.000 2.427 539 E HA 0.074 4.423 4.350 -0.000 0.000 0.196 539 E C 1.903 178.514 176.600 0.019 0.000 1.028 539 E CA 0.888 57.364 56.400 0.127 0.000 0.864 539 E CB -0.482 29.345 29.700 0.211 0.000 0.813 539 E HN 0.462 nan 8.360 nan 0.000 0.514 540 G N 2.295 111.107 108.800 0.020 0.000 2.650 540 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.214 540 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.214 540 G C 1.255 176.142 174.900 -0.021 0.000 1.136 540 G CA 0.105 45.209 45.100 0.006 0.000 0.789 540 G HN 0.296 nan 8.290 nan 0.000 0.536 541 R N -0.454 120.010 120.500 -0.060 0.000 2.688 541 R HA 0.363 4.703 4.340 -0.000 0.000 0.396 541 R C -1.214 175.034 176.300 -0.087 0.000 1.081 541 R CA -0.320 55.751 56.100 -0.049 0.000 1.093 541 R CB 0.264 30.546 30.300 -0.029 0.000 1.338 541 R HN -0.017 nan 8.270 nan 0.000 0.613 542 V N 2.554 122.403 119.914 -0.110 0.000 2.218 542 V HA 0.121 4.241 4.120 -0.000 0.000 0.261 542 V C -0.002 176.087 176.094 -0.009 0.000 1.142 542 V CA -0.671 61.561 62.300 -0.114 0.000 0.965 542 V CB -0.230 31.500 31.823 -0.155 0.000 1.190 542 V HN 0.452 nan 8.190 nan 0.000 0.478 543 H N 7.116 126.145 119.070 -0.067 0.000 3.152 543 H HA -0.036 4.520 4.556 -0.000 0.000 0.328 543 H C -1.082 174.233 175.328 -0.021 0.000 1.032 543 H CA 0.100 56.126 56.048 -0.037 0.000 1.337 543 H CB 0.858 30.602 29.762 -0.031 0.000 1.256 543 H HN 0.339 nan 8.280 nan 0.000 0.599 544 P HA -0.059 nan 4.420 nan 0.000 0.227 544 P C 0.177 177.504 177.300 0.045 0.000 1.161 544 P CA 1.019 64.105 63.100 -0.022 0.000 0.788 544 P CB 0.517 32.171 31.700 -0.075 0.000 0.822 545 N N -0.207 118.564 118.700 0.118 0.000 2.467 545 N HA -0.012 4.728 4.740 -0.000 0.000 0.184 545 N C 0.134 175.698 175.510 0.091 0.000 1.106 545 N CA 0.678 53.796 53.050 0.113 0.000 0.892 545 N CB -0.233 38.345 38.487 0.153 0.000 0.969 545 N HN 0.211 nan 8.380 nan 0.000 0.454 546 T N -2.384 112.235 114.554 0.108 0.000 2.893 546 T HA 0.370 4.720 4.350 -0.000 0.000 0.324 546 T C 0.631 175.383 174.700 0.086 0.000 1.082 546 T CA -0.799 61.348 62.100 0.079 0.000 0.983 546 T CB 1.292 70.201 68.868 0.068 0.000 1.005 546 T HN -0.044 nan 8.240 nan 0.000 0.475 547 R N 1.765 122.316 120.500 0.085 0.000 2.276 547 R HA 0.288 4.628 4.340 -0.000 0.000 0.203 547 R C 0.795 177.242 176.300 0.245 0.000 1.017 547 R CA 0.315 56.502 56.100 0.144 0.000 1.010 547 R CB 0.243 30.628 30.300 0.141 0.000 0.900 547 R HN 0.735 nan 8.270 nan 0.000 0.469 548 A N 1.554 124.483 122.820 0.182 0.000 2.304 548 A HA 0.483 4.803 4.320 -0.000 0.000 0.314 548 A C -0.925 176.766 177.584 0.179 0.000 1.187 548 A CA -0.783 51.415 52.037 0.268 0.000 0.810 548 A CB 0.766 19.987 19.000 0.368 0.000 1.183 548 A HN 0.079 nan 8.150 nan 0.000 0.487 549 N N 1.150 119.877 118.700 0.046 0.000 2.260 549 N HA 0.580 5.320 4.740 -0.000 0.000 0.293 549 N C -1.887 173.580 175.510 -0.072 0.000 1.058 549 N CA -0.081 52.996 53.050 0.045 0.000 0.824 549 N CB 1.949 40.405 38.487 -0.052 0.000 1.551 549 N HN 0.566 nan 8.380 nan 0.000 0.475 550 Y N 0.134 120.501 120.300 0.112 0.000 2.576 550 Y HA 0.532 5.082 4.550 -0.000 0.000 0.346 550 Y C -0.165 175.818 175.900 0.139 0.000 1.018 550 Y CA -0.773 57.407 58.100 0.133 0.000 1.050 550 Y CB 1.956 40.416 38.460 -0.001 0.000 1.280 550 Y HN 0.196 nan 8.280 nan 0.000 0.474 551 L N 2.236 123.656 121.223 0.329 0.000 2.322 551 L HA 0.932 5.272 4.340 -0.000 0.000 0.281 551 L C -0.329 176.643 176.870 0.170 0.000 1.014 551 L CA -0.638 54.345 54.840 0.237 0.000 0.815 551 L CB 1.532 43.734 42.059 0.239 0.000 1.247 551 L HN 0.848 nan 8.230 nan 0.000 0.421 552 A N 1.536 124.433 122.820 0.129 0.000 2.588 552 A HA 0.697 5.017 4.320 -0.000 0.000 0.290 552 A C -0.557 177.095 177.584 0.114 0.000 1.136 552 A CA -0.474 51.637 52.037 0.123 0.000 0.681 552 A CB 1.578 20.646 19.000 0.113 0.000 1.282 552 A HN 0.634 nan 8.150 nan 0.000 0.421 553 S N 0.317 116.101 115.700 0.140 0.000 2.572 553 S HA 0.346 4.815 4.470 -0.000 0.000 0.279 553 S C -1.875 172.760 174.600 0.059 0.000 1.341 553 S CA -0.238 58.028 58.200 0.109 0.000 1.043 553 S CB 0.524 63.821 63.200 0.162 0.000 0.887 553 S HN 0.365 nan 8.310 nan 0.000 0.516 554 P HA -0.142 nan 4.420 nan 0.000 0.217 554 P C -1.320 175.901 177.300 -0.132 0.000 1.158 554 P CA 1.717 64.765 63.100 -0.087 0.000 0.887 554 P CB -1.015 30.619 31.700 -0.110 0.000 0.792 555 P HA -0.110 nan 4.420 nan 0.000 0.215 555 P C 1.741 179.040 177.300 -0.002 0.000 1.157 555 P CA 1.084 64.046 63.100 -0.230 0.000 0.856 555 P CB -0.373 30.975 31.700 -0.588 0.000 0.786 556 L N -0.090 121.269 121.223 0.226 0.000 2.189 556 L HA -0.145 4.195 4.340 -0.000 0.000 0.214 556 L C 2.418 179.515 176.870 0.378 0.000 1.097 556 L CA 1.512 56.607 54.840 0.425 0.000 0.764 556 L CB -1.086 41.247 42.059 0.456 0.000 0.900 556 L HN -0.227 nan 8.230 nan 0.000 0.436 557 V N -0.400 119.625 119.914 0.184 0.000 2.229 557 V HA -0.304 3.816 4.120 -0.000 0.000 0.243 557 V C 2.348 178.527 176.094 0.141 0.000 1.042 557 V CA 2.197 64.580 62.300 0.139 0.000 1.000 557 V CB -0.430 31.387 31.823 -0.009 0.000 0.637 557 V HN 0.375 nan 8.190 nan 0.000 0.446 558 I N 0.498 121.045 120.570 -0.039 0.000 2.315 558 I HA -0.292 3.878 4.170 -0.000 0.000 0.251 558 I C 2.604 178.792 176.117 0.118 0.000 1.125 558 I CA 1.366 62.667 61.300 0.001 0.000 1.392 558 I CB -0.672 37.219 38.000 -0.182 0.000 1.065 558 I HN 0.327 nan 8.210 nan 0.000 0.424 559 A N 0.788 123.666 122.820 0.098 0.000 1.834 559 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 559 A C 2.128 179.754 177.584 0.070 0.000 1.203 559 A CA 1.636 53.680 52.037 0.012 0.000 0.621 559 A CB -1.316 17.638 19.000 -0.077 0.000 0.841 559 A HN 0.380 nan 8.150 nan 0.000 0.446 560 Y N 0.169 120.582 120.300 0.188 0.000 2.365 560 Y HA -0.170 4.380 4.550 -0.000 0.000 0.287 560 Y C 2.788 178.749 175.900 0.103 0.000 1.162 560 Y CA 0.978 59.190 58.100 0.185 0.000 1.260 560 Y CB -0.433 38.099 38.460 0.119 0.000 0.976 560 Y HN 0.361 nan 8.280 nan 0.000 0.548 561 A N -0.065 122.898 122.820 0.238 0.000 1.897 561 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 561 A C 2.179 179.801 177.584 0.063 0.000 1.181 561 A CA 1.440 53.566 52.037 0.149 0.000 0.620 561 A CB -0.816 18.338 19.000 0.258 0.000 0.821 561 A HN 0.465 nan 8.150 nan 0.000 0.443 562 I N -0.284 120.329 120.570 0.071 0.000 2.315 562 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 562 I C 2.873 178.999 176.117 0.014 0.000 1.117 562 I CA 0.987 62.299 61.300 0.021 0.000 1.404 562 I CB -0.260 37.744 38.000 0.007 0.000 1.071 562 I HN 0.344 nan 8.210 nan 0.000 0.419 563 A N 0.322 123.169 122.820 0.045 0.000 1.929 563 A HA 0.089 4.408 4.320 -0.000 0.000 0.216 563 A C 2.120 179.739 177.584 0.058 0.000 1.176 563 A CA 1.337 53.411 52.037 0.063 0.000 0.628 563 A CB -0.847 18.231 19.000 0.130 0.000 0.816 563 A HN 0.556 nan 8.150 nan 0.000 0.444 564 G N -2.406 106.436 108.800 0.069 0.000 2.162 564 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.260 564 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.260 564 G C 0.411 175.360 174.900 0.082 0.000 0.976 564 G CA 1.248 46.385 45.100 0.061 0.000 0.655 564 G HN 1.661 nan 8.290 nan 0.000 0.533 565 T N -1.445 113.164 114.554 0.092 0.000 2.893 565 T HA 0.486 4.836 4.350 -0.000 0.000 0.337 565 T C 1.195 175.938 174.700 0.073 0.000 1.587 565 T CA 0.076 62.200 62.100 0.039 0.000 1.066 565 T CB 0.790 69.659 68.868 0.002 0.000 1.414 565 T HN 0.975 nan 8.240 nan 0.000 0.488 566 I N 0.542 121.070 120.570 -0.070 0.000 3.226 566 I HA 0.402 4.572 4.170 -0.000 0.000 0.277 566 I C 1.088 177.104 176.117 -0.169 0.000 1.243 566 I CA -0.063 61.207 61.300 -0.050 0.000 1.459 566 I CB -0.078 37.636 38.000 -0.477 0.000 1.093 566 I HN 0.325 nan 8.210 nan 0.000 0.453 567 R N 2.877 123.252 120.500 -0.208 0.000 3.688 567 R HA 0.515 4.855 4.340 -0.000 0.000 0.194 567 R C -0.531 175.713 176.300 -0.093 0.000 1.677 567 R CA 0.060 56.098 56.100 -0.102 0.000 1.351 567 R CB -0.184 30.105 30.300 -0.018 0.000 1.338 567 R HN 0.483 nan 8.270 nan 0.000 0.731 568 I N -0.575 119.889 120.570 -0.178 0.000 2.918 568 I HA 0.196 4.365 4.170 -0.000 0.000 0.301 568 I C -1.591 174.325 176.117 -0.336 0.000 1.312 568 I CA -0.795 60.365 61.300 -0.233 0.000 1.007 568 I CB 2.926 40.751 38.000 -0.292 0.000 1.281 568 I HN 0.136 nan 8.210 nan 0.000 0.440 569 D N 4.858 125.131 120.400 -0.210 0.000 2.517 569 D HA 0.349 4.989 4.640 -0.000 0.000 0.301 569 D C 0.726 177.014 176.300 -0.020 0.000 1.202 569 D CA -0.310 53.599 54.000 -0.151 0.000 0.910 569 D CB 0.116 40.891 40.800 -0.042 0.000 1.021 569 D HN 0.458 nan 8.370 nan 0.000 0.499 570 F N 0.784 120.714 119.950 -0.033 0.000 2.094 570 F HA -0.360 4.167 4.527 -0.000 0.000 0.296 570 F C 2.072 177.917 175.800 0.074 0.000 1.070 570 F CA 1.115 59.109 58.000 -0.010 0.000 1.255 570 F CB -0.154 38.790 39.000 -0.093 0.000 1.000 570 F HN 0.407 nan 8.300 nan 0.000 0.490 571 E N 0.397 120.713 120.200 0.195 0.000 2.130 571 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 571 E C 0.573 177.230 176.600 0.095 0.000 0.998 571 E CA 1.491 57.947 56.400 0.093 0.000 0.806 571 E CB -0.230 29.483 29.700 0.022 0.000 0.738 571 E HN 0.501 nan 8.360 nan 0.000 0.459 572 K N 0.216 120.717 120.400 0.168 0.000 3.157 572 K HA 0.405 4.725 4.320 -0.000 0.000 0.173 572 K C -1.143 175.652 176.600 0.326 0.000 1.127 572 K CA -0.197 56.217 56.287 0.213 0.000 0.849 572 K CB 0.740 33.286 32.500 0.077 0.000 1.038 572 K HN -0.160 nan 8.250 nan 0.000 0.603 573 E N 2.238 122.749 120.200 0.518 0.000 2.846 573 E HA 0.084 4.434 4.350 -0.000 0.000 0.363 573 E C -2.898 173.611 176.600 -0.151 0.000 0.933 573 E CA -1.384 55.127 56.400 0.186 0.000 0.766 573 E CB 2.025 31.775 29.700 0.083 0.000 1.404 573 E HN 0.298 nan 8.360 nan 0.000 0.408 574 P HA -0.069 nan 4.420 nan 0.000 0.264 574 P C 0.731 177.780 177.300 -0.418 0.000 1.179 574 P CA 0.253 62.662 63.100 -1.152 0.000 0.763 574 P CB 1.100 32.261 31.700 -0.899 0.000 0.806 575 L N 1.305 122.340 121.223 -0.312 0.000 2.093 575 L HA 0.052 4.392 4.340 -0.000 0.000 0.208 575 L C 1.432 178.237 176.870 -0.108 0.000 1.085 575 L CA 1.806 56.571 54.840 -0.124 0.000 0.755 575 L CB -0.549 41.433 42.059 -0.128 0.000 0.904 575 L HN 0.646 nan 8.230 nan 0.000 0.435 576 G N -1.907 106.803 108.800 -0.151 0.000 2.556 576 G HA2 0.280 4.240 3.960 -0.000 0.000 0.294 576 G HA3 0.280 4.240 3.960 -0.000 0.000 0.294 576 G C -1.186 173.652 174.900 -0.104 0.000 1.516 576 G CA -0.628 44.414 45.100 -0.097 0.000 0.824 576 G HN -0.274 nan 8.290 nan 0.000 0.535 577 T N 1.428 115.940 114.554 -0.069 0.000 2.761 577 T HA 0.214 4.564 4.350 -0.000 0.000 0.296 577 T C 0.874 175.559 174.700 -0.025 0.000 0.934 577 T CA -0.156 61.914 62.100 -0.050 0.000 1.091 577 T CB 0.446 69.295 68.868 -0.032 0.000 0.896 577 T HN 0.570 nan 8.240 nan 0.000 0.515 578 N N 2.104 120.794 118.700 -0.016 0.000 2.412 578 N HA 0.066 4.806 4.740 -0.000 0.000 0.258 578 N C 0.890 176.401 175.510 0.002 0.000 1.236 578 N CA -0.542 52.507 53.050 -0.002 0.000 0.882 578 N CB 0.269 38.761 38.487 0.008 0.000 1.066 578 N HN 0.711 nan 8.380 nan 0.000 0.465 579 A N 3.503 126.325 122.820 0.005 0.000 2.305 579 A HA -0.011 4.309 4.320 -0.000 0.000 0.236 579 A C 1.038 178.626 177.584 0.007 0.000 1.392 579 A CA 0.474 52.514 52.037 0.006 0.000 1.205 579 A CB -0.437 18.568 19.000 0.008 0.000 0.881 579 A HN 0.846 nan 8.150 nan 0.000 0.558 580 K N -2.032 118.373 120.400 0.008 0.000 2.977 580 K HA -0.023 4.297 4.320 -0.000 0.000 0.272 580 K C 0.700 177.307 176.600 0.012 0.000 2.836 580 K CA 0.719 57.011 56.287 0.009 0.000 1.566 580 K CB -0.564 31.942 32.500 0.010 0.000 3.066 580 K HN 0.408 nan 8.250 nan 0.000 0.372 581 G N 3.839 112.648 108.800 0.015 0.000 2.639 581 G HA2 0.392 4.352 3.960 -0.000 0.000 0.312 581 G HA3 0.392 4.352 3.960 -0.000 0.000 0.312 581 G C 0.325 175.241 174.900 0.026 0.000 0.911 581 G CA 0.751 45.864 45.100 0.021 0.000 1.410 581 G HN 0.480 nan 8.290 nan 0.000 0.469 582 Q N 0.978 120.794 119.800 0.027 0.000 1.160 582 Q HA -0.294 4.046 4.340 -0.000 0.000 0.426 582 Q C -0.251 175.766 176.000 0.028 0.000 1.014 582 Q CA 1.251 57.075 55.803 0.035 0.000 0.499 582 Q CB -0.940 27.830 28.738 0.054 0.000 5.099 582 Q HN 0.652 nan 8.270 nan 0.000 0.531 583 Q N -0.099 119.728 119.800 0.045 0.000 2.245 583 Q HA 0.772 5.112 4.340 -0.000 0.000 0.256 583 Q C -0.944 175.074 176.000 0.030 0.000 0.942 583 Q CA -0.823 54.975 55.803 -0.007 0.000 0.896 583 Q CB 2.452 31.151 28.738 -0.066 0.000 1.272 583 Q HN 0.504 nan 8.270 nan 0.000 0.442 584 V N 3.489 123.365 119.914 -0.064 0.000 2.459 584 V HA 0.545 4.664 4.120 -0.000 0.000 0.295 584 V C -1.422 174.595 176.094 -0.129 0.000 1.029 584 V CA -0.582 61.726 62.300 0.013 0.000 0.874 584 V CB 0.865 32.695 31.823 0.012 0.000 0.985 584 V HN 0.727 nan 8.190 nan 0.000 0.438 585 F N 4.695 124.642 119.950 -0.006 0.000 2.457 585 F HA 0.461 4.988 4.527 -0.000 0.000 0.330 585 F C 0.828 176.592 175.800 -0.060 0.000 1.069 585 F CA -0.477 57.513 58.000 -0.017 0.000 1.009 585 F CB 1.206 40.204 39.000 -0.004 0.000 1.276 585 F HN 0.469 nan 8.300 nan 0.000 0.492 586 L N 2.326 123.577 121.223 0.046 0.000 2.013 586 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 586 L C 2.627 179.501 176.870 0.006 0.000 1.073 586 L CA 1.896 56.652 54.840 -0.140 0.000 0.753 586 L CB -0.643 41.124 42.059 -0.487 0.000 0.890 586 L HN 0.673 nan 8.230 nan 0.000 0.432 587 R N -1.286 119.238 120.500 0.040 0.000 2.261 587 R HA -0.163 4.177 4.340 -0.000 0.000 0.236 587 R C 1.229 177.578 176.300 0.081 0.000 1.141 587 R CA 1.556 57.680 56.100 0.040 0.000 1.001 587 R CB -0.975 29.327 30.300 0.003 0.000 0.866 587 R HN 0.388 nan 8.270 nan 0.000 0.468 588 D N 1.286 121.746 120.400 0.101 0.000 2.289 588 D HA -0.013 4.627 4.640 -0.000 0.000 0.207 588 D C 1.901 178.244 176.300 0.071 0.000 0.966 588 D CA 1.125 55.178 54.000 0.088 0.000 0.868 588 D CB 0.135 41.002 40.800 0.111 0.000 0.943 588 D HN 0.601 nan 8.370 nan 0.000 0.514 589 I N -4.778 115.838 120.570 0.076 0.000 4.181 589 I HA 0.202 4.372 4.170 -0.000 0.000 0.331 589 I C 0.470 176.630 176.117 0.072 0.000 1.312 589 I CA -0.597 60.733 61.300 0.049 0.000 1.146 589 I CB 0.437 38.446 38.000 0.015 0.000 1.074 589 I HN -0.182 nan 8.210 nan 0.000 0.402 590 W N 6.976 128.231 121.300 -0.075 0.000 2.368 590 W HA 0.327 4.987 4.660 -0.000 0.000 0.316 590 W C -2.484 174.005 176.519 -0.049 0.000 1.375 590 W CA -1.670 55.631 57.345 -0.073 0.000 1.261 590 W CB 0.596 30.007 29.460 -0.083 0.000 1.298 590 W HN 0.047 nan 8.180 nan 0.000 0.539 591 P HA 0.071 nan 4.420 nan 0.000 0.278 591 P C -0.041 177.270 177.300 0.018 0.000 1.238 591 P CA 0.104 63.136 63.100 -0.114 0.000 0.794 591 P CB 1.402 32.970 31.700 -0.221 0.000 0.955 592 T N -0.077 114.527 114.554 0.083 0.000 2.847 592 T HA 0.254 4.604 4.350 -0.000 0.000 0.279 592 T C 1.573 176.313 174.700 0.066 0.000 0.984 592 T CA -0.757 61.419 62.100 0.127 0.000 0.988 592 T CB 0.904 69.829 68.868 0.095 0.000 1.040 592 T HN 0.224 nan 8.240 nan 0.000 0.528 593 R N 0.909 121.456 120.500 0.079 0.000 2.094 593 R HA -0.140 4.200 4.340 -0.000 0.000 0.239 593 R C 2.208 178.523 176.300 0.025 0.000 1.137 593 R CA 2.028 58.155 56.100 0.045 0.000 0.943 593 R CB -0.794 29.530 30.300 0.039 0.000 0.850 593 R HN 0.759 nan 8.270 nan 0.000 0.433 594 E N 0.736 120.952 120.200 0.026 0.000 2.118 594 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 594 E C 1.939 178.550 176.600 0.018 0.000 0.992 594 E CA 1.292 57.703 56.400 0.019 0.000 0.804 594 E CB -0.152 29.558 29.700 0.018 0.000 0.741 594 E HN 0.494 nan 8.360 nan 0.000 0.458 595 E N 0.201 120.410 120.200 0.016 0.000 2.047 595 E HA -0.126 4.223 4.350 -0.000 0.000 0.191 595 E C 2.179 178.782 176.600 0.005 0.000 0.987 595 E CA 0.878 57.283 56.400 0.008 0.000 0.799 595 E CB -0.188 29.509 29.700 -0.004 0.000 0.752 595 E HN 0.263 nan 8.360 nan 0.000 0.449 596 I N 1.510 122.078 120.570 -0.002 0.000 2.127 596 I HA -0.329 3.841 4.170 -0.000 0.000 0.241 596 I C 2.466 178.606 176.117 0.039 0.000 1.075 596 I CA 1.400 62.703 61.300 0.005 0.000 1.334 596 I CB -0.331 37.666 38.000 -0.005 0.000 1.040 596 I HN 0.104 nan 8.210 nan 0.000 0.405 597 Q N 0.533 120.355 119.800 0.037 0.000 2.291 597 Q HA -0.174 4.165 4.340 -0.000 0.000 0.206 597 Q C 2.337 178.361 176.000 0.039 0.000 0.976 597 Q CA 1.401 57.232 55.803 0.045 0.000 0.875 597 Q CB -0.248 28.508 28.738 0.030 0.000 0.927 597 Q HN 0.610 nan 8.270 nan 0.000 0.450 598 A N 0.558 123.398 122.820 0.033 0.000 1.832 598 A HA -0.121 4.199 4.320 -0.000 0.000 0.214 598 A C 2.341 179.964 177.584 0.064 0.000 1.204 598 A CA 1.226 53.284 52.037 0.035 0.000 0.606 598 A CB -0.855 18.165 19.000 0.033 0.000 0.849 598 A HN 0.184 nan 8.150 nan 0.000 0.445 599 V N 0.633 120.598 119.914 0.086 0.000 2.324 599 V HA -0.339 3.781 4.120 -0.000 0.000 0.250 599 V C 2.574 178.751 176.094 0.139 0.000 1.060 599 V CA 2.552 64.948 62.300 0.159 0.000 1.042 599 V CB -0.878 30.978 31.823 0.054 0.000 0.650 599 V HN 0.778 nan 8.190 nan 0.000 0.450 600 E N 0.970 121.204 120.200 0.056 0.000 2.012 600 E HA -0.313 4.037 4.350 -0.000 0.000 0.197 600 E C 2.475 179.061 176.600 -0.023 0.000 1.007 600 E CA 2.103 58.500 56.400 -0.005 0.000 0.816 600 E CB -0.246 29.495 29.700 0.069 0.000 0.762 600 E HN 0.711 nan 8.360 nan 0.000 0.451 601 R N 0.431 120.927 120.500 -0.006 0.000 2.120 601 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 601 R C 2.118 178.351 176.300 -0.113 0.000 1.123 601 R CA 1.910 57.982 56.100 -0.048 0.000 0.975 601 R CB -0.449 29.834 30.300 -0.027 0.000 0.866 601 R HN 0.348 nan 8.270 nan 0.000 0.446 602 Q N -1.818 117.897 119.800 -0.141 0.000 2.282 602 Q HA 0.101 4.441 4.340 -0.000 0.000 0.206 602 Q C 0.222 175.875 176.000 -0.577 0.000 0.878 602 Q CA 0.184 55.776 55.803 -0.351 0.000 0.944 602 Q CB 0.340 28.815 28.738 -0.437 0.000 1.100 602 Q HN 0.478 nan 8.270 nan 0.000 0.509 603 Y N -1.425 118.835 120.300 -0.065 0.000 2.619 603 Y HA 0.166 4.716 4.550 -0.000 0.000 0.273 603 Y C 1.810 177.662 175.900 -0.081 0.000 1.175 603 Y CA -0.092 57.971 58.100 -0.062 0.000 1.157 603 Y CB 1.046 39.472 38.460 -0.057 0.000 1.329 603 Y HN -0.055 nan 8.280 nan 0.000 0.503 604 V N 0.200 120.120 119.914 0.010 0.000 2.300 604 V HA -0.172 3.948 4.120 -0.000 0.000 0.241 604 V C 2.004 178.034 176.094 -0.107 0.000 1.034 604 V CA 1.205 63.415 62.300 -0.150 0.000 1.021 604 V CB -0.382 31.120 31.823 -0.535 0.000 0.662 604 V HN 0.223 nan 8.190 nan 0.000 0.458 605 I N 0.511 121.024 120.570 -0.095 0.000 2.142 605 I HA -0.106 4.064 4.170 -0.000 0.000 0.240 605 I C 0.146 176.290 176.117 0.044 0.000 1.078 605 I CA 1.706 63.003 61.300 -0.005 0.000 1.343 605 I CB -2.761 35.159 38.000 -0.134 0.000 1.046 605 I HN 0.300 nan 8.210 nan 0.000 0.405 606 P HA -0.125 nan 4.420 nan 0.000 0.217 606 P C 1.687 179.016 177.300 0.049 0.000 1.148 606 P CA 1.755 64.838 63.100 -0.029 0.000 0.828 606 P CB -0.209 31.443 31.700 -0.081 0.000 0.783 607 G N -1.278 107.560 108.800 0.063 0.000 2.421 607 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 607 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 607 G C 1.408 176.374 174.900 0.110 0.000 1.143 607 G CA 0.599 45.761 45.100 0.103 0.000 0.784 607 G HN 0.204 nan 8.290 nan 0.000 0.541 608 M N -0.220 119.390 119.600 0.017 0.000 2.077 608 M HA 0.128 4.608 4.480 -0.000 0.000 0.261 608 M C 1.954 178.043 176.300 -0.353 0.000 1.070 608 M CA 1.158 56.256 55.300 -0.337 0.000 1.125 608 M CB -0.341 31.894 32.600 -0.609 0.000 1.339 608 M HN 0.172 nan 8.290 nan 0.000 0.409 609 F N -0.104 119.756 119.950 -0.149 0.000 2.802 609 F HA -0.001 4.526 4.527 -0.000 0.000 0.300 609 F C 2.120 177.881 175.800 -0.065 0.000 1.168 609 F CA 0.731 58.657 58.000 -0.124 0.000 1.433 609 F CB -0.842 38.091 39.000 -0.110 0.000 1.115 609 F HN 0.093 nan 8.300 nan 0.000 0.582 610 T N -1.749 112.866 114.554 0.102 0.000 3.022 610 T HA -0.017 4.333 4.350 -0.000 0.000 0.250 610 T C 1.877 176.608 174.700 0.051 0.000 1.060 610 T CA 0.368 62.531 62.100 0.106 0.000 1.013 610 T CB 0.195 69.116 68.868 0.088 0.000 0.982 610 T HN 0.095 nan 8.240 nan 0.000 0.508 611 E N 0.938 121.145 120.200 0.011 0.000 2.276 611 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 611 E C 1.995 178.554 176.600 -0.067 0.000 0.983 611 E CA 0.437 56.839 56.400 0.003 0.000 0.861 611 E CB 0.285 30.044 29.700 0.098 0.000 0.817 611 E HN 0.265 nan 8.360 nan 0.000 0.485 612 V N 0.912 120.739 119.914 -0.144 0.000 2.379 612 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 612 V C 2.281 178.226 176.094 -0.249 0.000 1.035 612 V CA 1.484 63.641 62.300 -0.237 0.000 1.035 612 V CB -0.796 30.788 31.823 -0.398 0.000 0.673 612 V HN 0.271 nan 8.190 nan 0.000 0.457 613 Y N 1.554 121.643 120.300 -0.352 0.000 2.256 613 Y HA -0.260 4.290 4.550 -0.000 0.000 0.288 613 Y C 2.577 178.404 175.900 -0.123 0.000 1.155 613 Y CA 2.063 59.992 58.100 -0.285 0.000 1.203 613 Y CB -0.401 37.987 38.460 -0.120 0.000 0.980 613 Y HN 0.417 nan 8.280 nan 0.000 0.530 614 Q N 0.653 120.283 119.800 -0.283 0.000 1.984 614 Q HA -0.211 4.129 4.340 -0.000 0.000 0.196 614 Q C 2.308 178.188 176.000 -0.199 0.000 0.975 614 Q CA 1.646 57.264 55.803 -0.310 0.000 0.827 614 Q CB -0.445 28.194 28.738 -0.166 0.000 0.894 614 Q HN 0.476 nan 8.270 nan 0.000 0.438 615 K N -0.156 120.167 120.400 -0.129 0.000 2.442 615 K HA -0.147 4.173 4.320 -0.000 0.000 0.199 615 K C 1.851 178.409 176.600 -0.069 0.000 1.044 615 K CA 0.777 57.015 56.287 -0.082 0.000 0.941 615 K CB -0.022 32.443 32.500 -0.058 0.000 0.759 615 K HN 0.301 nan 8.250 nan 0.000 0.472 616 I N 0.754 121.270 120.570 -0.091 0.000 2.385 616 I HA -0.101 4.069 4.170 -0.000 0.000 0.244 616 I C 1.767 177.884 176.117 0.000 0.000 1.089 616 I CA 1.297 62.582 61.300 -0.026 0.000 1.410 616 I CB 0.066 38.063 38.000 -0.004 0.000 1.117 616 I HN 0.064 nan 8.210 nan 0.000 0.429 617 E N 0.153 120.324 120.200 -0.048 0.000 2.152 617 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 617 E C 1.543 178.115 176.600 -0.046 0.000 0.983 617 E CA 1.403 57.781 56.400 -0.036 0.000 0.818 617 E CB -0.504 29.135 29.700 -0.102 0.000 0.758 617 E HN 0.603 nan 8.360 nan 0.000 0.467 618 T N -1.396 113.111 114.554 -0.077 0.000 3.500 618 T HA 0.239 4.589 4.350 -0.000 0.000 0.244 618 T C 0.980 175.668 174.700 -0.020 0.000 0.962 618 T CA 0.109 62.176 62.100 -0.054 0.000 0.932 618 T CB 0.253 69.076 68.868 -0.074 0.000 1.096 618 T HN -0.030 nan 8.240 nan 0.000 0.617 619 V N -0.869 119.047 119.914 0.004 0.000 3.142 619 V HA 0.153 4.273 4.120 -0.000 0.000 0.250 619 V C 1.587 177.718 176.094 0.061 0.000 1.774 619 V CA 0.437 62.755 62.300 0.030 0.000 1.003 619 V CB 0.075 31.913 31.823 0.025 0.000 0.935 619 V HN 0.470 nan 8.190 nan 0.000 0.371 620 N N 1.788 120.524 118.700 0.060 0.000 2.173 620 N HA 0.061 4.801 4.740 -0.000 0.000 0.184 620 N C 1.279 176.831 175.510 0.070 0.000 1.025 620 N CA 1.491 54.592 53.050 0.084 0.000 0.852 620 N CB 0.221 38.759 38.487 0.085 0.000 0.998 620 N HN 0.541 nan 8.380 nan 0.000 0.427 621 A N 0.631 123.479 122.820 0.046 0.000 2.426 621 A HA 0.203 4.523 4.320 -0.000 0.000 0.247 621 A C 0.628 178.233 177.584 0.035 0.000 1.389 621 A CA -0.044 52.014 52.037 0.035 0.000 1.129 621 A CB -0.470 18.544 19.000 0.024 0.000 0.928 621 A HN 0.304 nan 8.150 nan 0.000 0.557 631 D N 1.782 122.230 120.400 0.080 0.000 2.411 631 D HA 0.349 4.989 4.640 -0.000 0.000 0.251 631 D C 0.735 177.066 176.300 0.050 0.000 1.201 631 D CA -0.404 53.630 54.000 0.056 0.000 0.996 631 D CB 0.614 41.458 40.800 0.072 0.000 1.101 631 D HN 0.412 nan 8.370 nan 0.000 0.504 632 K N -0.157 120.242 120.400 -0.001 0.000 2.365 632 K HA 0.126 4.446 4.320 -0.000 0.000 0.197 632 K C 0.228 176.895 176.600 0.112 0.000 1.042 632 K CA 0.175 56.410 56.287 -0.087 0.000 0.987 632 K CB 0.298 32.726 32.500 -0.119 0.000 0.779 632 K HN 0.210 nan 8.250 nan 0.000 0.484 633 L N 0.872 122.224 121.223 0.215 0.000 2.309 633 L HA 0.259 4.599 4.340 -0.000 0.000 0.282 633 L C -0.345 176.658 176.870 0.222 0.000 1.036 633 L CA -1.019 53.971 54.840 0.249 0.000 0.806 633 L CB 0.576 42.717 42.059 0.135 0.000 1.220 633 L HN 0.044 nan 8.230 nan 0.000 0.429 634 Y N 3.909 124.055 120.300 -0.257 0.000 2.336 634 Y HA 0.357 4.907 4.550 -0.000 0.000 0.335 634 Y C 0.060 175.441 175.900 -0.865 0.000 1.046 634 Y CA -0.938 56.533 58.100 -1.048 0.000 1.198 634 Y CB 0.976 38.294 38.460 -1.904 0.000 1.182 634 Y HN 0.397 nan 8.280 nan 0.000 0.502 635 L N 4.782 125.316 121.223 -1.149 0.000 2.328 635 L HA 0.397 4.737 4.340 -0.000 0.000 0.280 635 L C -1.160 175.204 176.870 -0.844 0.000 1.111 635 L CA -1.151 53.252 54.840 -0.729 0.000 0.909 635 L CB -0.744 41.083 42.059 -0.387 0.000 1.277 635 L HN 0.476 nan 8.230 nan 0.000 0.433 636 W N 1.673 122.741 121.300 -0.386 0.000 2.293 636 W HA 0.157 4.817 4.660 -0.000 0.000 0.342 636 W C 0.849 177.291 176.519 -0.127 0.000 1.274 636 W CA 0.012 57.267 57.345 -0.149 0.000 1.290 636 W CB -0.077 29.408 29.460 0.041 0.000 1.176 636 W HN 0.617 nan 8.180 nan 0.000 0.570 637 N N 2.900 121.705 118.700 0.175 0.000 2.444 637 N HA 0.333 5.073 4.740 -0.000 0.000 0.262 637 N C -1.869 173.711 175.510 0.116 0.000 0.974 637 N CA -2.228 50.881 53.050 0.098 0.000 0.933 637 N CB 1.702 40.227 38.487 0.064 0.000 1.137 637 N HN -0.043 nan 8.380 nan 0.000 0.498 638 P HA -0.076 nan 4.420 nan 0.000 0.218 638 P C 0.315 177.641 177.300 0.043 0.000 1.149 638 P CA 1.373 64.506 63.100 0.055 0.000 0.817 638 P CB 0.305 32.027 31.700 0.036 0.000 0.785 639 K N -0.690 119.736 120.400 0.044 0.000 2.288 639 K HA 0.031 4.351 4.320 -0.000 0.000 0.201 639 K C 1.183 177.815 176.600 0.053 0.000 1.048 639 K CA 0.237 56.545 56.287 0.035 0.000 0.956 639 K CB -0.339 32.181 32.500 0.033 0.000 0.746 639 K HN 0.044 nan 8.250 nan 0.000 0.461 640 S N 0.633 116.382 115.700 0.083 0.000 2.568 640 S HA -0.019 4.451 4.470 -0.000 0.000 0.282 640 S C 1.024 175.679 174.600 0.091 0.000 1.338 640 S CA 0.192 58.462 58.200 0.116 0.000 1.045 640 S CB 0.632 63.925 63.200 0.154 0.000 0.873 640 S HN 0.416 nan 8.310 nan 0.000 0.516 641 T N 1.509 116.123 114.554 0.100 0.000 3.043 641 T HA 0.270 4.620 4.350 -0.000 0.000 0.272 641 T C 0.865 175.481 174.700 -0.139 0.000 0.990 641 T CA -0.134 61.960 62.100 -0.010 0.000 0.897 641 T CB -0.286 68.540 68.868 -0.071 0.000 1.111 641 T HN 0.636 nan 8.240 nan 0.000 0.529 642 Y N 1.016 121.316 120.300 0.001 0.000 2.558 642 Y HA 0.534 5.084 4.550 -0.000 0.000 0.273 642 Y C 0.528 176.391 175.900 -0.062 0.000 1.100 642 Y CA -0.514 57.566 58.100 -0.034 0.000 1.276 642 Y CB 0.787 39.222 38.460 -0.041 0.000 1.196 642 Y HN 0.176 nan 8.280 nan 0.000 0.527 643 I N 1.383 122.018 120.570 0.108 0.000 2.447 643 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 643 I C -0.526 175.659 176.117 0.113 0.000 1.023 643 I CA -0.953 60.356 61.300 0.014 0.000 1.083 643 I CB 1.485 39.431 38.000 -0.091 0.000 1.245 643 I HN -0.023 nan 8.210 nan 0.000 0.434 644 K N 3.204 123.628 120.400 0.041 0.000 2.509 644 K HA 0.509 4.829 4.320 -0.000 0.000 0.266 644 K C -0.957 175.412 176.600 -0.385 0.000 0.987 644 K CA -0.428 55.816 56.287 -0.071 0.000 0.868 644 K CB 2.529 34.961 32.500 -0.113 0.000 1.421 644 K HN 0.481 nan 8.250 nan 0.000 0.444 645 S N 3.128 118.348 115.700 -0.800 0.000 2.439 645 S HA 0.368 4.838 4.470 -0.000 0.000 0.282 645 S C -2.221 171.986 174.600 -0.654 0.000 1.170 645 S CA -1.474 56.008 58.200 -1.198 0.000 1.054 645 S CB 0.590 62.838 63.200 -1.587 0.000 0.956 645 S HN 0.398 nan 8.310 nan 0.000 0.490 646 P HA 0.235 nan 4.420 nan 0.000 0.272 646 P C -2.408 174.456 177.300 -0.726 0.000 1.223 646 P CA -1.294 61.330 63.100 -0.794 0.000 0.784 646 P CB 0.131 31.023 31.700 -1.347 0.000 0.923 647 P HA 0.089 nan 4.420 nan 0.000 0.245 647 P C 1.323 178.504 177.300 -0.197 0.000 1.206 647 P CA 0.461 63.383 63.100 -0.297 0.000 0.781 647 P CB -0.333 31.279 31.700 -0.147 0.000 0.994 648 F N -0.709 119.054 119.950 -0.312 0.000 2.094 648 F HA -0.253 4.274 4.527 -0.000 0.000 0.296 648 F C 1.008 176.577 175.800 -0.385 0.000 1.070 648 F CA 0.694 58.410 58.000 -0.474 0.000 1.255 648 F CB -1.056 37.277 39.000 -1.111 0.000 1.000 648 F HN -0.057 nan 8.300 nan 0.000 0.490 649 F N -0.072 120.016 119.950 0.230 0.000 2.684 649 F HA 0.242 4.769 4.527 -0.000 0.000 0.298 649 F C 0.442 176.304 175.800 0.103 0.000 1.120 649 F CA -1.117 56.971 58.000 0.146 0.000 1.332 649 F CB -1.158 37.912 39.000 0.117 0.000 0.986 649 F HN -0.163 nan 8.300 nan 0.000 0.524 650 E N 1.557 121.867 120.200 0.182 0.000 2.414 650 E HA -0.053 4.297 4.350 -0.000 0.000 0.263 650 E C 0.678 177.354 176.600 0.128 0.000 1.000 650 E CA -0.029 56.445 56.400 0.124 0.000 0.914 650 E CB 0.108 29.849 29.700 0.069 0.000 0.948 650 E HN 0.130 nan 8.360 nan 0.000 0.444 651 N N 2.171 120.933 118.700 0.104 0.000 2.727 651 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 651 N C -1.111 174.459 175.510 0.099 0.000 1.048 651 N CA 0.304 53.406 53.050 0.086 0.000 0.714 651 N CB -0.668 37.859 38.487 0.067 0.000 0.959 651 N HN 0.329 nan 8.380 nan 0.000 0.544 652 L N 1.647 122.944 121.223 0.124 0.000 2.315 652 L HA 0.296 4.635 4.340 -0.000 0.000 0.283 652 L C 0.863 177.778 176.870 0.075 0.000 1.089 652 L CA -0.121 54.791 54.840 0.119 0.000 0.833 652 L CB 0.770 42.924 42.059 0.158 0.000 1.170 652 L HN 0.244 nan 8.230 nan 0.000 0.442 653 T N 2.075 116.664 114.554 0.059 0.000 2.889 653 T HA 0.202 4.552 4.350 -0.000 0.000 0.291 653 T C 0.980 175.698 174.700 0.030 0.000 0.995 653 T CA -0.718 61.406 62.100 0.040 0.000 1.092 653 T CB 1.103 69.991 68.868 0.033 0.000 0.954 653 T HN 0.618 nan 8.240 nan 0.000 0.506 654 L N 1.221 122.457 121.223 0.022 0.000 2.362 654 L HA 0.195 4.535 4.340 -0.000 0.000 0.219 654 L C -0.093 176.784 176.870 0.012 0.000 1.134 654 L CA 1.343 56.190 54.840 0.012 0.000 0.807 654 L CB -0.768 41.295 42.059 0.007 0.000 0.927 654 L HN 0.708 nan 8.230 nan 0.000 0.447 655 D N -0.643 119.765 120.400 0.014 0.000 2.175 655 D HA 0.356 4.996 4.640 -0.000 0.000 0.248 655 D C -0.405 175.904 176.300 0.014 0.000 1.047 655 D CA -0.220 53.786 54.000 0.011 0.000 0.883 655 D CB 1.057 41.862 40.800 0.008 0.000 1.180 655 D HN -0.009 nan 8.370 nan 0.000 0.438 656 L N 2.472 123.702 121.223 0.011 0.000 2.380 656 L HA 0.193 4.533 4.340 -0.000 0.000 0.273 656 L C 0.425 177.299 176.870 0.007 0.000 1.138 656 L CA -0.438 54.408 54.840 0.011 0.000 0.832 656 L CB 0.385 42.450 42.059 0.010 0.000 1.124 656 L HN 0.179 nan 8.230 nan 0.000 0.454 657 Q N 3.058 122.859 119.800 0.002 0.000 2.226 657 Q HA 0.476 4.816 4.340 -0.000 0.000 0.256 657 Q C -2.163 173.836 176.000 -0.002 0.000 0.962 657 Q CA -2.059 53.746 55.803 0.002 0.000 0.887 657 Q CB 1.130 29.869 28.738 0.003 0.000 1.282 657 Q HN 0.334 nan 8.270 nan 0.000 0.449 658 P HA 0.082 nan 4.420 nan 0.000 0.267 658 P C -2.312 174.978 177.300 -0.018 0.000 1.200 658 P CA -0.663 62.449 63.100 0.021 0.000 0.772 658 P CB -0.185 31.533 31.700 0.031 0.000 0.855 659 P HA 0.051 nan 4.420 nan 0.000 0.268 659 P C -0.625 176.678 177.300 0.006 0.000 1.204 659 P CA 0.277 63.299 63.100 -0.130 0.000 0.768 659 P CB 0.756 32.335 31.700 -0.202 0.000 0.842 660 K N 1.630 122.040 120.400 0.017 0.000 2.174 660 K HA 0.329 4.649 4.320 -0.000 0.000 0.275 660 K C 0.558 177.213 176.600 0.091 0.000 1.015 660 K CA -0.518 55.800 56.287 0.052 0.000 0.933 660 K CB 0.775 33.300 32.500 0.041 0.000 1.025 660 K HN 0.415 nan 8.250 nan 0.000 0.463 661 S N 1.671 117.413 115.700 0.072 0.000 2.614 661 S HA 0.285 4.755 4.470 -0.000 0.000 0.265 661 S C 0.382 175.018 174.600 0.060 0.000 1.303 661 S CA -0.573 57.668 58.200 0.068 0.000 1.000 661 S CB 0.463 63.689 63.200 0.043 0.000 0.935 661 S HN 0.373 nan 8.310 nan 0.000 0.551 662 I N 2.251 122.851 120.570 0.050 0.000 2.306 662 I HA 0.257 4.427 4.170 -0.000 0.000 0.288 662 I C -0.944 175.189 176.117 0.027 0.000 1.036 662 I CA -0.447 60.878 61.300 0.043 0.000 1.221 662 I CB 0.789 38.813 38.000 0.039 0.000 1.385 662 I HN 0.192 nan 8.210 nan 0.000 0.472 663 V N 5.012 124.943 119.914 0.027 0.000 2.370 663 V HA 0.208 4.328 4.120 -0.000 0.000 0.283 663 V C -0.198 175.902 176.094 0.010 0.000 1.023 663 V CA -0.560 61.748 62.300 0.014 0.000 0.857 663 V CB 1.111 32.943 31.823 0.016 0.000 0.985 663 V HN 0.803 nan 8.190 nan 0.000 0.443 664 D N 2.758 123.146 120.400 -0.019 0.000 2.735 664 D HA -0.145 4.494 4.640 -0.000 0.000 0.235 664 D C 0.383 176.630 176.300 -0.088 0.000 1.175 664 D CA 1.148 55.107 54.000 -0.068 0.000 0.683 664 D CB -0.401 40.364 40.800 -0.059 0.000 1.008 664 D HN 0.987 nan 8.370 nan 0.000 0.416 665 A N 0.289 123.088 122.820 -0.036 0.000 2.302 665 A HA 0.599 4.919 4.320 -0.000 0.000 0.285 665 A C -0.261 177.276 177.584 -0.079 0.000 1.105 665 A CA -0.304 51.722 52.037 -0.018 0.000 0.816 665 A CB 0.602 19.614 19.000 0.019 0.000 1.067 665 A HN 0.248 nan 8.150 nan 0.000 0.489 666 Y N -0.010 120.243 120.300 -0.079 0.000 2.453 666 Y HA 0.449 4.999 4.550 -0.000 0.000 0.326 666 Y C 0.280 176.066 175.900 -0.189 0.000 1.186 666 Y CA -0.530 57.492 58.100 -0.132 0.000 1.200 666 Y CB 1.882 40.154 38.460 -0.315 0.000 1.247 666 Y HN 0.366 nan 8.280 nan 0.000 0.482 667 V N 4.459 124.445 119.914 0.119 0.000 2.364 667 V HA 0.045 4.165 4.120 -0.000 0.000 0.272 667 V C 0.616 176.774 176.094 0.106 0.000 1.036 667 V CA -0.357 61.951 62.300 0.014 0.000 0.880 667 V CB 0.998 32.839 31.823 0.030 0.000 0.991 667 V HN 0.733 nan 8.190 nan 0.000 0.460 668 L N 6.199 127.399 121.223 -0.037 0.000 2.313 668 L HA 0.305 4.645 4.340 -0.000 0.000 0.214 668 L C 0.242 177.146 176.870 0.057 0.000 1.119 668 L CA 1.843 56.686 54.840 0.005 0.000 0.809 668 L CB 0.072 42.096 42.059 -0.059 0.000 0.933 668 L HN 0.534 nan 8.230 nan 0.000 0.449 669 L N -0.460 120.706 121.223 -0.096 0.000 2.549 669 L HA 0.280 4.620 4.340 -0.000 0.000 0.259 669 L C -0.847 175.746 176.870 -0.462 0.000 0.934 669 L CA -0.348 54.329 54.840 -0.272 0.000 0.865 669 L CB 1.833 43.640 42.059 -0.420 0.000 1.352 669 L HN -0.107 nan 8.230 nan 0.000 0.410 670 N N 3.395 121.649 118.700 -0.742 0.000 2.707 670 N HA 0.575 5.315 4.740 -0.000 0.000 0.235 670 N C -1.041 174.230 175.510 -0.399 0.000 1.028 670 N CA -0.419 52.235 53.050 -0.660 0.000 0.906 670 N CB 0.721 38.606 38.487 -1.003 0.000 1.131 670 N HN 0.453 nan 8.380 nan 0.000 0.509 671 L N 1.058 122.124 121.223 -0.262 0.000 2.440 671 L HA 0.678 5.018 4.340 -0.000 0.000 0.262 671 L C 1.341 178.146 176.870 -0.108 0.000 1.072 671 L CA -0.730 54.015 54.840 -0.158 0.000 0.798 671 L CB 1.098 43.111 42.059 -0.076 0.000 1.307 671 L HN 0.427 nan 8.230 nan 0.000 0.475 672 G N -1.341 107.420 108.800 -0.065 0.000 3.356 672 G HA2 0.272 4.232 3.960 -0.000 0.000 0.178 672 G HA3 0.272 4.232 3.960 -0.000 0.000 0.178 672 G C -1.132 173.762 174.900 -0.010 0.000 1.175 672 G CA -0.310 44.761 45.100 -0.048 0.000 0.840 672 G HN 0.473 nan 8.290 nan 0.000 0.658 673 D N 0.082 120.476 120.400 -0.011 0.000 2.294 673 D HA 0.434 5.074 4.640 -0.000 0.000 0.250 673 D C 0.261 176.575 176.300 0.024 0.000 1.058 673 D CA 0.065 54.070 54.000 0.007 0.000 0.950 673 D CB 1.379 42.177 40.800 -0.004 0.000 1.158 673 D HN 0.276 nan 8.370 nan 0.000 0.453 674 S N -0.656 115.063 115.700 0.031 0.000 3.559 674 S HA -0.139 4.331 4.470 -0.000 0.000 0.369 674 S C 0.129 174.770 174.600 0.070 0.000 0.987 674 S CA -0.101 58.121 58.200 0.037 0.000 1.187 674 S CB -1.182 62.041 63.200 0.037 0.000 0.914 674 S HN 0.342 nan 8.310 nan 0.000 0.480 675 V N 2.878 122.827 119.914 0.058 0.000 2.415 675 V HA 0.276 4.396 4.120 -0.000 0.000 0.267 675 V C 1.327 177.415 176.094 -0.009 0.000 1.042 675 V CA 0.362 62.717 62.300 0.092 0.000 1.000 675 V CB 0.644 32.517 31.823 0.084 0.000 1.015 675 V HN 0.710 nan 8.190 nan 0.000 0.478 676 T N 1.242 115.882 114.554 0.142 0.000 2.882 676 T HA 0.136 4.486 4.350 -0.000 0.000 0.287 676 T C 1.546 176.135 174.700 -0.185 0.000 1.014 676 T CA 0.115 62.153 62.100 -0.103 0.000 1.049 676 T CB 1.290 70.031 68.868 -0.212 0.000 1.001 676 T HN 0.817 nan 8.240 nan 0.000 0.525 677 T N -1.270 113.146 114.554 -0.230 0.000 2.849 677 T HA -0.179 4.171 4.350 -0.000 0.000 0.270 677 T C 1.405 176.007 174.700 -0.162 0.000 1.066 677 T CA 1.633 63.596 62.100 -0.229 0.000 1.130 677 T CB -0.691 68.084 68.868 -0.155 0.000 0.864 677 T HN 0.721 nan 8.240 nan 0.000 0.481 678 D N 0.489 120.784 120.400 -0.175 0.000 2.317 678 D HA -0.016 4.624 4.640 -0.000 0.000 0.211 678 D C 1.829 178.047 176.300 -0.136 0.000 0.966 678 D CA 0.600 54.502 54.000 -0.162 0.000 0.876 678 D CB -0.253 40.434 40.800 -0.189 0.000 0.927 678 D HN 0.703 nan 8.370 nan 0.000 0.519 679 H N -1.227 117.803 119.070 -0.067 0.000 2.448 679 H HA 0.179 4.735 4.556 -0.000 0.000 0.292 679 H C 1.844 177.155 175.328 -0.029 0.000 1.035 679 H CA 0.552 56.598 56.048 -0.003 0.000 1.349 679 H CB 0.546 30.330 29.762 0.037 0.000 1.425 679 H HN 0.163 nan 8.280 nan 0.000 0.539 680 I N -0.976 119.549 120.570 -0.076 0.000 2.400 680 I HA -0.088 4.082 4.170 -0.000 0.000 0.248 680 I C 0.785 176.653 176.117 -0.415 0.000 1.109 680 I CA 0.670 61.686 61.300 -0.472 0.000 1.425 680 I CB 0.364 38.111 38.000 -0.420 0.000 1.094 680 I HN -0.013 nan 8.210 nan 0.000 0.425 681 S N 2.023 117.594 115.700 -0.216 0.000 2.216 681 S HA 0.310 4.780 4.470 -0.000 0.000 0.156 681 S C -2.470 172.036 174.600 -0.158 0.000 1.665 681 S CA -1.537 56.557 58.200 -0.177 0.000 1.262 681 S CB 0.325 63.494 63.200 -0.051 0.000 1.207 681 S HN -0.087 nan 8.310 nan 0.000 0.427 682 P HA 0.197 nan 4.420 nan 0.000 0.267 682 P C -0.114 177.137 177.300 -0.080 0.000 1.201 682 P CA 0.063 63.085 63.100 -0.129 0.000 0.775 682 P CB 0.661 32.294 31.700 -0.113 0.000 0.854 683 A N 1.842 124.677 122.820 0.024 0.000 2.452 683 A HA 0.835 5.155 4.320 -0.000 0.000 0.285 683 A C 0.621 178.301 177.584 0.161 0.000 1.209 683 A CA -0.040 52.055 52.037 0.096 0.000 0.940 683 A CB 0.109 19.146 19.000 0.060 0.000 1.440 683 A HN 0.880 nan 8.150 nan 0.000 0.480 684 G N -0.657 108.224 108.800 0.136 0.000 2.741 684 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.222 684 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.222 684 G C -0.309 174.657 174.900 0.111 0.000 1.364 684 G CA 0.062 45.230 45.100 0.113 0.000 0.866 684 G HN 1.094 nan 8.290 nan 0.000 0.555 685 N N -0.977 117.756 118.700 0.054 0.000 2.381 685 N HA 0.523 5.263 4.740 -0.000 0.000 0.254 685 N C 0.476 175.933 175.510 -0.088 0.000 1.264 685 N CA -0.181 52.854 53.050 -0.025 0.000 0.942 685 N CB 0.597 39.087 38.487 0.004 0.000 1.190 685 N HN 0.570 nan 8.380 nan 0.000 0.495 686 I N 1.375 121.802 120.570 -0.239 0.000 2.325 686 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 686 I C 0.463 176.558 176.117 -0.037 0.000 1.019 686 I CA -0.666 60.438 61.300 -0.327 0.000 1.302 686 I CB 0.776 38.434 38.000 -0.570 0.000 1.401 686 I HN 0.524 nan 8.210 nan 0.000 0.485 687 A N 6.499 129.339 122.820 0.034 0.000 2.520 687 A HA 0.086 4.405 4.320 -0.000 0.000 0.235 687 A C 1.399 179.028 177.584 0.074 0.000 1.065 687 A CA -0.054 52.024 52.037 0.069 0.000 0.764 687 A CB 0.112 19.162 19.000 0.084 0.000 1.002 687 A HN 0.902 nan 8.150 nan 0.000 0.502 688 R N 0.874 121.433 120.500 0.099 0.000 2.280 688 R HA -0.079 4.261 4.340 -0.000 0.000 0.207 688 R C 0.307 176.660 176.300 0.089 0.000 1.043 688 R CA 1.238 57.419 56.100 0.136 0.000 1.006 688 R CB -0.034 30.338 30.300 0.120 0.000 0.885 688 R HN 0.876 nan 8.270 nan 0.000 0.467 689 N N -0.040 118.697 118.700 0.062 0.000 2.699 689 N HA 0.004 4.743 4.740 -0.000 0.000 0.317 689 N C -1.339 174.198 175.510 0.044 0.000 1.661 689 N CA -0.316 52.764 53.050 0.049 0.000 0.979 689 N CB 0.919 39.435 38.487 0.049 0.000 1.329 689 N HN 0.042 nan 8.380 nan 0.000 0.497 690 S N -1.188 114.528 115.700 0.026 0.000 2.671 690 S HA 0.637 5.107 4.470 -0.000 0.000 0.299 690 S C -2.274 172.322 174.600 -0.007 0.000 1.116 690 S CA -1.239 56.979 58.200 0.029 0.000 0.912 690 S CB 2.453 65.683 63.200 0.050 0.000 1.130 690 S HN -0.153 nan 8.310 nan 0.000 0.501 691 P HA 0.069 nan 4.420 nan 0.000 0.218 691 P C 1.433 178.640 177.300 -0.156 0.000 1.149 691 P CA 1.673 64.746 63.100 -0.046 0.000 0.817 691 P CB -0.151 31.534 31.700 -0.025 0.000 0.785 692 A N -0.016 122.706 122.820 -0.162 0.000 1.930 692 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 692 A C 2.276 179.676 177.584 -0.306 0.000 1.175 692 A CA 1.861 53.766 52.037 -0.220 0.000 0.627 692 A CB -1.508 17.429 19.000 -0.105 0.000 0.815 692 A HN 0.183 nan 8.150 nan 0.000 0.443 693 A N 0.034 122.653 122.820 -0.336 0.000 1.873 693 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 693 A C 2.224 179.627 177.584 -0.302 0.000 1.186 693 A CA 1.409 53.130 52.037 -0.527 0.000 0.616 693 A CB -0.478 18.375 19.000 -0.244 0.000 0.823 693 A HN 0.530 nan 8.150 nan 0.000 0.442 694 R N -2.082 118.343 120.500 -0.125 0.000 2.105 694 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 694 R C 2.140 178.407 176.300 -0.054 0.000 1.135 694 R CA 1.712 57.782 56.100 -0.050 0.000 0.967 694 R CB -0.535 29.763 30.300 -0.003 0.000 0.861 694 R HN 0.742 nan 8.270 nan 0.000 0.442 695 Y N 1.384 121.563 120.300 -0.201 0.000 2.163 695 Y HA -0.120 4.430 4.550 -0.000 0.000 0.288 695 Y C 1.912 177.697 175.900 -0.192 0.000 1.136 695 Y CA 1.362 59.347 58.100 -0.192 0.000 1.147 695 Y CB -0.202 38.106 38.460 -0.252 0.000 0.987 695 Y HN -0.087 nan 8.280 nan 0.000 0.509 696 L N -0.576 120.510 121.223 -0.229 0.000 2.275 696 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 696 L C 2.201 178.995 176.870 -0.128 0.000 1.119 696 L CA 1.464 56.140 54.840 -0.272 0.000 0.790 696 L CB -0.634 41.174 42.059 -0.418 0.000 0.919 696 L HN 0.269 nan 8.230 nan 0.000 0.443 697 T N -0.782 113.715 114.554 -0.095 0.000 2.732 697 T HA -0.106 4.244 4.350 -0.000 0.000 0.261 697 T C 1.568 176.233 174.700 -0.058 0.000 1.040 697 T CA 1.347 63.458 62.100 0.018 0.000 1.145 697 T CB -0.222 68.673 68.868 0.045 0.000 0.866 697 T HN 0.266 nan 8.240 nan 0.000 0.427 698 N N 0.938 119.567 118.700 -0.118 0.000 2.430 698 N HA -0.032 4.708 4.740 -0.000 0.000 0.186 698 N C 1.391 176.802 175.510 -0.166 0.000 1.032 698 N CA 0.673 53.647 53.050 -0.127 0.000 0.893 698 N CB -0.083 38.324 38.487 -0.135 0.000 0.957 698 N HN 0.315 nan 8.380 nan 0.000 0.442 699 R N -0.863 119.501 120.500 -0.228 0.000 2.466 699 R HA 0.235 4.575 4.340 -0.000 0.000 0.279 699 R C 0.810 177.047 176.300 -0.106 0.000 0.976 699 R CA 0.427 56.400 56.100 -0.213 0.000 1.081 699 R CB 0.390 30.480 30.300 -0.351 0.000 1.215 699 R HN 0.209 nan 8.270 nan 0.000 0.546 700 G N 0.981 109.743 108.800 -0.063 0.000 2.241 700 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 700 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 700 G C 0.275 175.180 174.900 0.009 0.000 0.998 700 G CA -0.289 44.797 45.100 -0.023 0.000 0.621 700 G HN 0.169 nan 8.290 nan 0.000 0.519 701 L N 1.667 122.913 121.223 0.038 0.000 2.464 701 L HA 0.557 4.897 4.340 -0.000 0.000 0.264 701 L C 1.266 178.209 176.870 0.122 0.000 1.199 701 L CA 0.515 55.414 54.840 0.098 0.000 0.818 701 L CB 0.841 43.016 42.059 0.192 0.000 1.102 701 L HN 0.451 nan 8.230 nan 0.000 0.473 702 T N -2.293 112.234 114.554 -0.045 0.000 2.924 702 T HA 0.373 4.723 4.350 -0.000 0.000 0.291 702 T C -2.153 172.017 174.700 -0.883 0.000 1.045 702 T CA -1.996 59.954 62.100 -0.249 0.000 1.015 702 T CB 1.971 70.737 68.868 -0.170 0.000 1.103 702 T HN 0.246 nan 8.240 nan 0.000 0.496 703 P HA -0.283 nan 4.420 nan 0.000 0.221 703 P C 1.658 178.399 177.300 -0.933 0.000 1.160 703 P CA 1.359 63.580 63.100 -1.465 0.000 0.933 703 P CB 0.006 31.387 31.700 -0.533 0.000 0.793 704 R N 0.737 120.954 120.500 -0.472 0.000 2.261 704 R HA -0.189 4.150 4.340 -0.000 0.000 0.236 704 R C 1.185 177.362 176.300 -0.205 0.000 1.141 704 R CA 1.814 57.760 56.100 -0.257 0.000 1.001 704 R CB -0.377 29.826 30.300 -0.161 0.000 0.866 704 R HN 0.413 nan 8.270 nan 0.000 0.468 705 E N -1.238 118.801 120.200 -0.268 0.000 2.651 705 E HA 0.039 4.389 4.350 -0.000 0.000 0.208 705 E C 0.340 176.965 176.600 0.042 0.000 0.997 705 E CA -0.413 55.936 56.400 -0.084 0.000 1.020 705 E CB 0.053 29.731 29.700 -0.036 0.000 1.052 705 E HN 0.100 nan 8.360 nan 0.000 0.465 706 F N 1.726 121.637 119.950 -0.066 0.000 2.234 706 F HA 0.113 4.640 4.527 -0.000 0.000 0.296 706 F C 1.333 177.053 175.800 -0.134 0.000 1.089 706 F CA 0.350 58.280 58.000 -0.116 0.000 1.343 706 F CB -0.732 38.182 39.000 -0.143 0.000 1.040 706 F HN 0.127 nan 8.300 nan 0.000 0.498 707 N N -0.342 118.423 118.700 0.108 0.000 6.891 707 N HA -0.212 4.528 4.740 -0.000 0.000 0.420 707 N C -0.103 175.395 175.510 -0.019 0.000 0.939 707 N CA 0.794 53.872 53.050 0.047 0.000 1.300 707 N CB -0.768 37.766 38.487 0.077 0.000 0.824 707 N HN 0.249 nan 8.380 nan 0.000 0.284 708 S N -0.715 114.974 115.700 -0.019 0.000 2.672 708 S HA 0.504 4.974 4.470 -0.000 0.000 0.276 708 S C 1.270 175.823 174.600 -0.079 0.000 1.207 708 S CA -0.290 57.874 58.200 -0.059 0.000 1.002 708 S CB 0.794 64.010 63.200 0.027 0.000 0.998 708 S HN 0.472 nan 8.310 nan 0.000 0.542 709 Y N 1.497 121.773 120.300 -0.040 0.000 2.256 709 Y HA 0.011 4.560 4.550 -0.000 0.000 0.288 709 Y C 2.645 178.503 175.900 -0.071 0.000 1.155 709 Y CA 1.654 59.697 58.100 -0.095 0.000 1.203 709 Y CB -1.099 37.304 38.460 -0.094 0.000 0.980 709 Y HN 0.904 nan 8.280 nan 0.000 0.530 710 G N -0.919 107.970 108.800 0.148 0.000 2.418 710 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 710 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 710 G C 1.837 176.807 174.900 0.116 0.000 1.158 710 G CA 1.228 46.406 45.100 0.130 0.000 0.771 710 G HN 0.475 nan 8.290 nan 0.000 0.545 711 S N 0.204 115.962 115.700 0.097 0.000 2.500 711 S HA 0.024 4.494 4.470 -0.000 0.000 0.239 711 S C 1.739 176.408 174.600 0.115 0.000 0.989 711 S CA 0.533 58.810 58.200 0.128 0.000 0.951 711 S CB -0.035 63.261 63.200 0.161 0.000 0.759 711 S HN 0.249 nan 8.310 nan 0.000 0.523 712 R N 0.646 121.144 120.500 -0.003 0.000 2.552 712 R HA 0.340 4.680 4.340 -0.000 0.000 0.314 712 R C 1.092 177.335 176.300 -0.095 0.000 1.041 712 R CA -0.164 55.869 56.100 -0.112 0.000 1.076 712 R CB -0.342 29.827 30.300 -0.217 0.000 1.290 712 R HN 0.458 nan 8.270 nan 0.000 0.563 713 R N -0.006 120.513 120.500 0.032 0.000 2.285 713 R HA -0.027 4.313 4.340 -0.000 0.000 0.213 713 R C 1.492 177.936 176.300 0.239 0.000 1.068 713 R CA 1.200 57.379 56.100 0.131 0.000 1.004 713 R CB 0.054 30.544 30.300 0.317 0.000 0.873 713 R HN 0.152 nan 8.270 nan 0.000 0.467 714 G N 0.054 108.929 108.800 0.124 0.000 3.371 714 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.248 714 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.248 714 G C -0.170 174.737 174.900 0.012 0.000 1.161 714 G CA -0.259 44.899 45.100 0.097 0.000 0.796 714 G HN 0.096 nan 8.290 nan 0.000 0.539 715 N N 0.888 119.543 118.700 -0.076 0.000 2.690 715 N HA 0.059 4.799 4.740 -0.000 0.000 0.255 715 N C 1.113 176.427 175.510 -0.327 0.000 1.195 715 N CA -0.385 52.566 53.050 -0.165 0.000 0.790 715 N CB 0.913 39.298 38.487 -0.169 0.000 1.216 715 N HN 0.179 nan 8.380 nan 0.000 0.528 716 D N 1.915 122.154 120.400 -0.268 0.000 2.172 716 D HA -0.290 4.350 4.640 -0.000 0.000 0.196 716 D C 1.287 177.329 176.300 -0.431 0.000 0.999 716 D CA 1.308 55.082 54.000 -0.376 0.000 0.856 716 D CB -0.041 40.730 40.800 -0.048 0.000 0.934 716 D HN 0.447 nan 8.370 nan 0.000 0.453 717 A N 1.111 123.684 122.820 -0.411 0.000 1.948 717 A HA -0.140 4.179 4.320 -0.000 0.000 0.220 717 A C 2.526 179.630 177.584 -0.802 0.000 1.177 717 A CA 1.576 53.266 52.037 -0.578 0.000 0.636 717 A CB -0.653 17.952 19.000 -0.658 0.000 0.815 717 A HN 0.390 nan 8.150 nan 0.000 0.449 718 I N -1.375 118.777 120.570 -0.697 0.000 2.400 718 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 718 I C 2.391 178.224 176.117 -0.475 0.000 1.109 718 I CA 0.637 61.589 61.300 -0.579 0.000 1.425 718 I CB -0.338 37.422 38.000 -0.400 0.000 1.094 718 I HN 0.193 nan 8.210 nan 0.000 0.425 719 M N 0.941 120.162 119.600 -0.631 0.000 2.159 719 M HA -0.133 4.346 4.480 -0.000 0.000 0.263 719 M C 2.577 178.574 176.300 -0.505 0.000 1.063 719 M CA 1.806 56.644 55.300 -0.770 0.000 1.110 719 M CB -1.520 30.019 32.600 -1.768 0.000 1.374 719 M HN 0.285 nan 8.290 nan 0.000 0.411 720 A N 0.101 122.676 122.820 -0.407 0.000 1.898 720 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 720 A C 2.324 179.814 177.584 -0.156 0.000 1.181 720 A CA 1.313 53.278 52.037 -0.119 0.000 0.620 720 A CB -0.565 18.440 19.000 0.007 0.000 0.819 720 A HN 0.475 nan 8.150 nan 0.000 0.442 721 R N -0.847 119.347 120.500 -0.510 0.000 2.280 721 R HA -0.034 4.306 4.340 -0.000 0.000 0.207 721 R C 1.799 177.939 176.300 -0.266 0.000 1.043 721 R CA 0.656 56.351 56.100 -0.676 0.000 1.006 721 R CB -0.182 29.569 30.300 -0.916 0.000 0.885 721 R HN 0.517 nan 8.270 nan 0.000 0.467 722 G N -0.135 108.497 108.800 -0.279 0.000 3.020 722 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.217 722 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.217 722 G C 0.269 174.963 174.900 -0.342 0.000 1.144 722 G CA -0.194 44.646 45.100 -0.433 0.000 0.760 722 G HN 0.090 nan 8.290 nan 0.000 0.548 723 T N 1.590 116.042 114.554 -0.171 0.000 2.853 723 T HA 0.219 4.568 4.350 -0.000 0.000 0.298 723 T C 0.256 174.977 174.700 0.035 0.000 0.978 723 T CA 0.080 62.102 62.100 -0.130 0.000 1.152 723 T CB 0.260 69.114 68.868 -0.025 0.000 0.914 723 T HN 0.265 nan 8.240 nan 0.000 0.539 724 F N 0.102 120.066 119.950 0.023 0.000 3.057 724 F HA -0.263 4.264 4.527 -0.000 0.000 0.287 724 F C 1.425 177.246 175.800 0.036 0.000 0.834 724 F CA 0.381 58.411 58.000 0.050 0.000 1.147 724 F CB -2.029 37.021 39.000 0.084 0.000 1.245 724 F HN 0.718 nan 8.300 nan 0.000 0.509 725 A N -0.715 122.173 122.820 0.112 0.000 2.379 725 A HA 0.174 4.494 4.320 -0.000 0.000 0.236 725 A C 1.037 178.675 177.584 0.090 0.000 1.272 725 A CA 0.074 52.163 52.037 0.086 0.000 0.886 725 A CB -0.154 18.855 19.000 0.016 0.000 0.962 725 A HN 0.295 nan 8.150 nan 0.000 0.504 726 N N 1.629 120.398 118.700 0.116 0.000 2.452 726 N HA 0.034 4.774 4.740 -0.000 0.000 0.266 726 N C 1.203 176.801 175.510 0.145 0.000 1.175 726 N CA 0.015 53.149 53.050 0.140 0.000 0.945 726 N CB 0.546 39.168 38.487 0.226 0.000 1.063 726 N HN 0.531 nan 8.380 nan 0.000 0.472 727 I N 1.565 122.209 120.570 0.124 0.000 2.700 727 I HA -0.121 4.049 4.170 -0.000 0.000 0.261 727 I C 1.192 177.368 176.117 0.099 0.000 1.219 727 I CA 1.068 62.430 61.300 0.102 0.000 1.463 727 I CB 0.048 38.102 38.000 0.090 0.000 1.092 727 I HN 0.261 nan 8.210 nan 0.000 0.452 728 R N 0.696 121.278 120.500 0.136 0.000 2.334 728 R HA 0.318 4.658 4.340 -0.000 0.000 0.220 728 R C 0.260 176.592 176.300 0.052 0.000 0.917 728 R CA -0.353 55.828 56.100 0.135 0.000 1.073 728 R CB -0.253 30.185 30.300 0.228 0.000 1.056 728 R HN 0.334 nan 8.270 nan 0.000 0.506 729 L N 0.975 122.216 121.223 0.030 0.000 2.490 729 L HA 0.105 4.445 4.340 -0.000 0.000 0.274 729 L C -0.524 176.290 176.870 -0.094 0.000 1.201 729 L CA 0.287 55.066 54.840 -0.102 0.000 0.869 729 L CB 0.556 42.629 42.059 0.023 0.000 1.123 729 L HN 0.028 nan 8.230 nan 0.000 0.484 730 L N 5.955 127.085 121.223 -0.155 0.000 2.435 730 L HA 0.432 4.771 4.340 -0.000 0.000 0.253 730 L C -0.476 176.337 176.870 -0.096 0.000 1.087 730 L CA -0.105 54.678 54.840 -0.096 0.000 0.950 730 L CB -0.083 41.919 42.059 -0.095 0.000 1.304 730 L HN 0.699 nan 8.230 nan 0.000 0.453 731 N N 1.892 120.549 118.700 -0.071 0.000 2.442 731 N HA 0.115 4.854 4.740 -0.000 0.000 0.265 731 N C 1.044 176.514 175.510 -0.066 0.000 1.138 731 N CA 0.241 53.239 53.050 -0.087 0.000 0.956 731 N CB 0.936 39.406 38.487 -0.028 0.000 1.067 731 N HN 0.503 nan 8.380 nan 0.000 0.474 732 R N 2.510 122.927 120.500 -0.139 0.000 2.152 732 R HA -0.067 4.272 4.340 -0.000 0.000 0.232 732 R C 1.003 177.305 176.300 0.003 0.000 1.117 732 R CA 1.043 57.083 56.100 -0.100 0.000 0.981 732 R CB -0.179 30.025 30.300 -0.160 0.000 0.870 732 R HN 0.513 nan 8.270 nan 0.000 0.451 733 F N 0.424 120.356 119.950 -0.029 0.000 2.373 733 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 733 F C 1.647 177.438 175.800 -0.014 0.000 1.080 733 F CA 1.104 59.094 58.000 -0.017 0.000 1.417 733 F CB -0.005 38.985 39.000 -0.017 0.000 1.070 733 F HN 0.012 nan 8.300 nan 0.000 0.546 734 L N -1.992 119.326 121.223 0.159 0.000 2.840 734 L HA 0.192 4.532 4.340 -0.000 0.000 0.249 734 L C 0.071 176.971 176.870 0.049 0.000 1.119 734 L CA -0.073 54.821 54.840 0.090 0.000 0.930 734 L CB -0.375 41.728 42.059 0.074 0.000 1.295 734 L HN -0.087 nan 8.230 nan 0.000 0.534 735 N N 2.097 120.815 118.700 0.031 0.000 2.699 735 N HA -0.245 4.495 4.740 -0.000 0.000 0.256 735 N C -0.253 175.263 175.510 0.011 0.000 0.993 735 N CA 0.837 53.893 53.050 0.010 0.000 0.759 735 N CB -0.665 37.830 38.487 0.013 0.000 0.906 735 N HN 0.414 nan 8.380 nan 0.000 0.541 736 K N 0.383 120.789 120.400 0.010 0.000 2.583 736 K HA 0.124 4.444 4.320 -0.000 0.000 0.260 736 K C -1.452 175.154 176.600 0.010 0.000 0.931 736 K CA -0.662 55.633 56.287 0.013 0.000 0.849 736 K CB 1.170 33.683 32.500 0.021 0.000 1.347 736 K HN 0.096 nan 8.250 nan 0.000 0.425 737 Q N 1.699 121.506 119.800 0.011 0.000 2.281 737 Q HA 0.462 4.802 4.340 -0.000 0.000 0.267 737 Q C -0.886 175.129 176.000 0.026 0.000 1.053 737 Q CA 0.202 56.012 55.803 0.012 0.000 0.905 737 Q CB 1.240 29.989 28.738 0.019 0.000 1.195 737 Q HN 0.571 nan 8.270 nan 0.000 0.398 738 A N 4.244 127.082 122.820 0.029 0.000 2.583 738 A HA 0.404 4.724 4.320 -0.000 0.000 0.298 738 A C -2.639 174.977 177.584 0.053 0.000 1.055 738 A CA -1.171 50.892 52.037 0.044 0.000 0.714 738 A CB 1.231 20.256 19.000 0.043 0.000 1.277 738 A HN 0.529 nan 8.150 nan 0.000 0.406 739 P HA 0.165 nan 4.420 nan 0.000 0.228 739 P C -0.457 176.900 177.300 0.095 0.000 1.748 739 P CA 0.661 63.819 63.100 0.096 0.000 0.909 739 P CB -0.281 31.483 31.700 0.107 0.000 1.882 740 Q N -1.157 118.688 119.800 0.075 0.000 2.687 740 Q HA 0.673 5.013 4.340 -0.000 0.000 0.305 740 Q C -0.591 175.458 176.000 0.082 0.000 1.006 740 Q CA -0.735 55.115 55.803 0.079 0.000 0.763 740 Q CB 2.113 30.892 28.738 0.069 0.000 1.506 740 Q HN -0.034 nan 8.270 nan 0.000 0.459 741 T N -0.815 113.798 114.554 0.098 0.000 2.671 741 T HA 0.624 4.974 4.350 -0.000 0.000 0.300 741 T C -1.736 173.012 174.700 0.081 0.000 1.238 741 T CA -0.519 61.669 62.100 0.146 0.000 1.020 741 T CB 1.099 70.081 68.868 0.189 0.000 1.503 741 T HN 0.436 nan 8.240 nan 0.000 0.497 742 I N 2.524 123.099 120.570 0.009 0.000 2.354 742 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 742 I C 0.183 176.234 176.117 -0.110 0.000 0.989 742 I CA -0.802 60.424 61.300 -0.123 0.000 1.188 742 I CB 1.344 39.151 38.000 -0.322 0.000 1.342 742 I HN 0.657 nan 8.210 nan 0.000 0.457 743 H N 7.826 126.788 119.070 -0.181 0.000 3.118 743 H HA 0.174 4.730 4.556 -0.000 0.000 0.266 743 H C 0.891 176.017 175.328 -0.337 0.000 1.465 743 H CA -0.292 55.567 56.048 -0.314 0.000 1.460 743 H CB 0.614 30.140 29.762 -0.394 0.000 1.661 743 H HN 0.695 nan 8.280 nan 0.000 0.516 744 L N 4.650 125.546 121.223 -0.545 0.000 2.103 744 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 744 L C -0.560 175.958 176.870 -0.588 0.000 1.080 744 L CA 1.304 55.835 54.840 -0.516 0.000 0.764 744 L CB -1.645 40.174 42.059 -0.401 0.000 0.890 744 L HN 0.506 nan 8.230 nan 0.000 0.435 745 P HA -0.132 nan 4.420 nan 0.000 0.217 745 P C 1.745 178.843 177.300 -0.336 0.000 1.150 745 P CA 1.746 64.492 63.100 -0.590 0.000 0.832 745 P CB 0.064 31.386 31.700 -0.629 0.000 0.787 746 S N -2.901 112.597 115.700 -0.336 0.000 2.497 746 S HA 0.316 4.786 4.470 -0.000 0.000 0.221 746 S C 1.795 176.342 174.600 -0.089 0.000 1.037 746 S CA 0.636 58.794 58.200 -0.071 0.000 0.920 746 S CB -0.666 62.607 63.200 0.120 0.000 0.800 746 S HN 0.253 nan 8.310 nan 0.000 0.505 747 G N 1.249 109.961 108.800 -0.147 0.000 2.199 747 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.254 747 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.254 747 G C -0.191 174.663 174.900 -0.076 0.000 0.982 747 G CA 0.176 45.203 45.100 -0.121 0.000 0.632 747 G HN 0.623 nan 8.290 nan 0.000 0.529 748 E N 1.162 121.339 120.200 -0.039 0.000 2.390 748 E HA 0.441 4.791 4.350 -0.000 0.000 0.261 748 E C 0.547 177.134 176.600 -0.021 0.000 1.076 748 E CA 0.579 56.966 56.400 -0.022 0.000 0.905 748 E CB 0.655 30.347 29.700 -0.013 0.000 0.984 748 E HN 0.441 nan 8.360 nan 0.000 0.427 749 T N 0.527 115.073 114.554 -0.013 0.000 2.770 749 T HA 0.593 4.943 4.350 -0.000 0.000 0.283 749 T C -0.568 174.139 174.700 0.012 0.000 0.988 749 T CA -0.829 61.271 62.100 0.000 0.000 0.957 749 T CB 0.260 69.131 68.868 0.005 0.000 0.930 749 T HN 0.243 nan 8.240 nan 0.000 0.443 750 L N 1.279 122.517 121.223 0.024 0.000 2.301 750 L HA 0.651 4.991 4.340 -0.000 0.000 0.249 750 L C -0.475 176.431 176.870 0.060 0.000 1.069 750 L CA -1.297 53.561 54.840 0.029 0.000 0.865 750 L CB 0.630 42.689 42.059 -0.000 0.000 1.467 750 L HN 0.413 nan 8.230 nan 0.000 0.419 751 D N 0.270 120.716 120.400 0.076 0.000 2.458 751 D HA 0.121 4.761 4.640 -0.000 0.000 0.243 751 D C 1.322 177.705 176.300 0.140 0.000 1.146 751 D CA -0.046 54.022 54.000 0.113 0.000 0.877 751 D CB 1.453 42.329 40.800 0.128 0.000 1.176 751 D HN 0.330 nan 8.370 nan 0.000 0.461 752 V N 2.966 122.975 119.914 0.158 0.000 2.236 752 V HA -0.358 3.762 4.120 -0.000 0.000 0.255 752 V C 2.119 178.330 176.094 0.194 0.000 1.068 752 V CA 1.987 64.393 62.300 0.177 0.000 1.044 752 V CB -0.770 31.184 31.823 0.219 0.000 0.653 752 V HN 0.647 nan 8.190 nan 0.000 0.448 753 F N 1.533 121.544 119.950 0.102 0.000 2.087 753 F HA -0.276 4.251 4.527 -0.000 0.000 0.299 753 F C 2.240 178.069 175.800 0.048 0.000 1.100 753 F CA 2.415 60.458 58.000 0.071 0.000 1.226 753 F CB -0.563 38.453 39.000 0.028 0.000 0.983 753 F HN 0.239 nan 8.300 nan 0.000 0.479 754 D N 0.552 120.994 120.400 0.070 0.000 2.123 754 D HA -0.184 4.456 4.640 -0.000 0.000 0.196 754 D C 2.399 178.596 176.300 -0.171 0.000 0.992 754 D CA 1.605 55.563 54.000 -0.071 0.000 0.833 754 D CB -0.745 40.093 40.800 0.063 0.000 0.954 754 D HN 0.440 nan 8.370 nan 0.000 0.455 755 A N 1.017 123.798 122.820 -0.064 0.000 1.898 755 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 755 A C 2.330 179.952 177.584 0.063 0.000 1.181 755 A CA 2.143 54.156 52.037 -0.041 0.000 0.620 755 A CB -0.713 18.359 19.000 0.120 0.000 0.819 755 A HN 0.231 nan 8.150 nan 0.000 0.442 756 A N -0.342 122.524 122.820 0.076 0.000 1.933 756 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 756 A C 1.957 179.499 177.584 -0.071 0.000 1.175 756 A CA 2.126 54.221 52.037 0.096 0.000 0.628 756 A CB -0.491 18.515 19.000 0.011 0.000 0.814 756 A HN 0.573 nan 8.150 nan 0.000 0.444 757 E N -0.153 119.831 120.200 -0.361 0.000 2.051 757 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 757 E C 2.208 178.680 176.600 -0.213 0.000 0.991 757 E CA 1.517 57.676 56.400 -0.402 0.000 0.799 757 E CB -0.212 29.104 29.700 -0.640 0.000 0.748 757 E HN 0.551 nan 8.360 nan 0.000 0.449 758 R N -1.192 119.156 120.500 -0.253 0.000 2.096 758 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 758 R C 1.949 178.159 176.300 -0.149 0.000 1.127 758 R CA 1.563 57.478 56.100 -0.309 0.000 0.968 758 R CB -0.316 29.585 30.300 -0.665 0.000 0.861 758 R HN 0.298 nan 8.270 nan 0.000 0.440 759 Y N 0.535 120.825 120.300 -0.016 0.000 2.293 759 Y HA -0.146 4.404 4.550 -0.000 0.000 0.291 759 Y C 2.376 178.311 175.900 0.059 0.000 1.137 759 Y CA 1.371 59.551 58.100 0.134 0.000 1.202 759 Y CB -0.062 38.484 38.460 0.143 0.000 0.990 759 Y HN 0.182 nan 8.280 nan 0.000 0.537 760 Q N -0.821 119.060 119.800 0.134 0.000 2.123 760 Q HA -0.212 4.128 4.340 -0.000 0.000 0.199 760 Q C 2.087 178.087 176.000 -0.001 0.000 0.966 760 Q CA 1.113 56.943 55.803 0.045 0.000 0.845 760 Q CB -0.077 28.653 28.738 -0.013 0.000 0.907 760 Q HN 0.361 nan 8.270 nan 0.000 0.439 761 Q N 0.853 120.639 119.800 -0.025 0.000 2.167 761 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 761 Q C 1.068 177.041 176.000 -0.046 0.000 0.970 761 Q CA 1.284 57.062 55.803 -0.042 0.000 0.855 761 Q CB 0.273 28.974 28.738 -0.061 0.000 0.911 761 Q HN 0.367 nan 8.270 nan 0.000 0.438 762 E N -1.754 118.422 120.200 -0.040 0.000 2.371 762 E HA 0.121 4.471 4.350 -0.000 0.000 0.194 762 E C 0.614 177.058 176.600 -0.259 0.000 1.012 762 E CA 0.442 56.772 56.400 -0.117 0.000 0.860 762 E CB 0.272 29.950 29.700 -0.036 0.000 0.811 762 E HN 0.405 nan 8.360 nan 0.000 0.502 763 G N 1.937 110.654 108.800 -0.139 0.000 2.149 763 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.235 763 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.235 763 G C -0.432 174.409 174.900 -0.098 0.000 1.018 763 G CA -0.285 44.747 45.100 -0.112 0.000 0.728 763 G HN 0.291 nan 8.290 nan 0.000 0.508 764 H N 0.479 119.659 119.070 0.183 0.000 2.594 764 H HA 0.366 4.922 4.556 -0.000 0.000 0.304 764 H C -2.063 173.339 175.328 0.123 0.000 1.068 764 H CA -1.767 54.413 56.048 0.221 0.000 1.308 764 H CB 1.253 31.292 29.762 0.462 0.000 1.409 764 H HN 0.164 nan 8.280 nan 0.000 0.460 765 P HA 0.089 nan 4.420 nan 0.000 0.270 765 P C -0.110 177.218 177.300 0.046 0.000 1.227 765 P CA -0.014 63.139 63.100 0.089 0.000 0.788 765 P CB 0.934 32.674 31.700 0.068 0.000 0.926 766 L N 1.565 122.783 121.223 -0.009 0.000 2.371 766 L HA 0.670 5.010 4.340 -0.000 0.000 0.262 766 L C 0.040 176.874 176.870 -0.059 0.000 1.006 766 L CA -0.934 53.861 54.840 -0.076 0.000 0.818 766 L CB 1.720 43.710 42.059 -0.114 0.000 1.354 766 L HN 0.369 nan 8.230 nan 0.000 0.415 767 I N -1.096 119.412 120.570 -0.103 0.000 3.195 767 I HA 0.754 4.924 4.170 -0.000 0.000 0.313 767 I C -1.486 174.539 176.117 -0.153 0.000 1.237 767 I CA -0.939 60.289 61.300 -0.119 0.000 0.963 767 I CB 2.448 40.342 38.000 -0.176 0.000 1.278 767 I HN 0.204 nan 8.210 nan 0.000 0.460 768 V N 3.445 123.263 119.914 -0.160 0.000 2.656 768 V HA 0.512 4.631 4.120 -0.000 0.000 0.307 768 V C -0.181 175.761 176.094 -0.254 0.000 1.051 768 V CA -0.574 61.611 62.300 -0.191 0.000 0.893 768 V CB 2.010 33.763 31.823 -0.117 0.000 0.999 768 V HN 0.511 nan 8.190 nan 0.000 0.426 769 L N 3.695 124.759 121.223 -0.266 0.000 2.322 769 L HA 0.933 5.273 4.340 -0.000 0.000 0.279 769 L C 0.059 176.805 176.870 -0.207 0.000 1.036 769 L CA -0.393 54.312 54.840 -0.224 0.000 0.807 769 L CB 1.778 43.720 42.059 -0.195 0.000 1.226 769 L HN 0.800 nan 8.230 nan 0.000 0.433 770 A N 1.530 124.252 122.820 -0.164 0.000 2.574 770 A HA 0.708 5.027 4.320 -0.000 0.000 0.297 770 A C -0.095 177.461 177.584 -0.046 0.000 1.062 770 A CA -0.018 51.944 52.037 -0.125 0.000 0.686 770 A CB 1.368 20.220 19.000 -0.246 0.000 1.285 770 A HN 0.768 nan 8.150 nan 0.000 0.403 771 G N 0.623 109.411 108.800 -0.021 0.000 2.711 771 G HA2 0.370 4.330 3.960 -0.000 0.000 0.186 771 G HA3 0.370 4.330 3.960 -0.000 0.000 0.186 771 G C 0.168 175.057 174.900 -0.018 0.000 1.635 771 G CA -0.261 44.828 45.100 -0.020 0.000 1.065 771 G HN 0.833 nan 8.290 nan 0.000 0.545 772 K N 0.307 120.698 120.400 -0.015 0.000 2.098 772 K HA 0.330 4.650 4.320 -0.000 0.000 0.257 772 K C -0.307 176.297 176.600 0.006 0.000 0.999 772 K CA -0.213 56.066 56.287 -0.014 0.000 0.924 772 K CB 0.926 33.420 32.500 -0.010 0.000 1.028 772 K HN 0.572 nan 8.250 nan 0.000 0.466 773 E N 0.368 120.571 120.200 0.005 0.000 2.210 773 E HA -0.284 4.066 4.350 -0.000 0.000 0.201 773 E C -1.058 175.570 176.600 0.046 0.000 1.339 773 E CA 0.338 56.756 56.400 0.029 0.000 0.699 773 E CB -1.426 28.288 29.700 0.023 0.000 1.126 773 E HN 0.376 nan 8.360 nan 0.000 0.355 774 Y N 0.663 120.902 120.300 -0.102 0.000 2.497 774 Y HA 0.273 4.823 4.550 -0.000 0.000 0.334 774 Y C 1.525 177.432 175.900 0.012 0.000 1.199 774 Y CA 1.398 59.457 58.100 -0.068 0.000 1.425 774 Y CB 0.948 39.303 38.460 -0.176 0.000 1.291 774 Y HN 0.353 nan 8.280 nan 0.000 0.562 775 G N 3.252 111.606 108.800 -0.744 0.000 2.160 775 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.251 775 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.251 775 G C 0.067 174.782 174.900 -0.308 0.000 1.008 775 G CA 0.336 44.968 45.100 -0.779 0.000 0.724 775 G HN 1.074 nan 8.290 nan 0.000 0.514 776 S N -0.521 115.075 115.700 -0.173 0.000 2.593 776 S HA 0.811 5.281 4.470 -0.000 0.000 0.269 776 S C 0.837 175.380 174.600 -0.094 0.000 1.334 776 S CA 0.598 58.753 58.200 -0.075 0.000 1.015 776 S CB 2.229 65.408 63.200 -0.034 0.000 0.912 776 S HN 2.393 nan 8.310 nan 0.000 0.541 777 G N 0.539 109.307 108.800 -0.052 0.000 2.423 777 G HA2 0.239 4.198 3.960 -0.000 0.000 0.684 777 G HA3 0.239 4.198 3.960 -0.000 0.000 0.684 777 G C -0.324 174.558 174.900 -0.030 0.000 1.309 777 G CA -0.507 44.560 45.100 -0.055 0.000 0.950 777 G HN 1.748 nan 8.290 nan 0.000 0.587 778 S N -0.695 114.991 115.700 -0.024 0.000 2.596 778 S HA 0.581 5.051 4.470 -0.000 0.000 0.260 778 S C 1.103 175.708 174.600 0.008 0.000 1.336 778 S CA 0.714 58.913 58.200 -0.000 0.000 0.993 778 S CB 1.311 64.511 63.200 0.001 0.000 0.923 778 S HN 2.314 nan 8.310 nan 0.000 0.567 779 S N 0.249 115.967 115.700 0.030 0.000 2.552 779 S HA 0.236 4.705 4.470 -0.000 0.000 0.289 779 S C -0.382 174.244 174.600 0.042 0.000 1.304 779 S CA -0.213 58.013 58.200 0.043 0.000 1.063 779 S CB -0.298 62.936 63.200 0.056 0.000 0.848 779 S HN 0.654 nan 8.310 nan 0.000 0.499 780 R N 3.039 123.569 120.500 0.050 0.000 2.539 780 R HA 0.325 4.665 4.340 -0.000 0.000 0.295 780 R C -0.081 176.274 176.300 0.091 0.000 1.138 780 R CA -0.559 55.580 56.100 0.066 0.000 0.936 780 R CB 0.893 31.209 30.300 0.028 0.000 1.182 780 R HN 0.640 nan 8.270 nan 0.000 0.459 781 D N 1.200 121.676 120.400 0.127 0.000 2.190 781 D HA -0.193 4.446 4.640 -0.000 0.000 0.200 781 D C 0.362 176.638 176.300 -0.039 0.000 0.992 781 D CA 1.479 55.527 54.000 0.080 0.000 0.854 781 D CB 0.172 41.081 40.800 0.181 0.000 0.936 781 D HN 0.544 nan 8.370 nan 0.000 0.462 782 W N 0.090 121.397 121.300 0.012 0.000 2.926 782 W HA 0.555 5.215 4.660 -0.000 0.000 0.419 782 W C 1.437 177.951 176.519 -0.007 0.000 0.993 782 W CA -0.498 56.852 57.345 0.007 0.000 2.025 782 W CB -0.184 29.271 29.460 -0.008 0.000 1.152 782 W HN -0.127 nan 8.180 nan 0.000 0.659 783 A N 0.067 122.966 122.820 0.132 0.000 2.121 783 A HA 0.179 4.499 4.320 -0.000 0.000 0.218 783 A C 1.992 179.704 177.584 0.212 0.000 1.154 783 A CA 2.003 54.123 52.037 0.138 0.000 0.679 783 A CB -0.197 18.899 19.000 0.160 0.000 0.795 783 A HN 0.192 nan 8.150 nan 0.000 0.458 784 A N -0.865 122.008 122.820 0.089 0.000 2.026 784 A HA 0.243 4.563 4.320 -0.000 0.000 0.201 784 A C 1.898 179.507 177.584 0.042 0.000 1.318 784 A CA 0.755 52.810 52.037 0.031 0.000 0.857 784 A CB 0.011 18.945 19.000 -0.109 0.000 0.939 784 A HN 0.335 nan 8.150 nan 0.000 0.476 785 K N 0.180 120.545 120.400 -0.057 0.000 2.097 785 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 785 K C 2.044 178.891 176.600 0.411 0.000 1.050 785 K CA 1.055 57.336 56.287 -0.010 0.000 0.938 785 K CB -0.302 31.871 32.500 -0.545 0.000 0.718 785 K HN 0.420 nan 8.250 nan 0.000 0.442 786 G N 2.206 111.296 108.800 0.482 0.000 2.480 786 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.216 786 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.216 786 G C -1.011 174.064 174.900 0.292 0.000 1.200 786 G CA 0.709 46.067 45.100 0.429 0.000 0.782 786 G HN 0.225 nan 8.290 nan 0.000 0.554 787 P HA -0.073 nan 4.420 nan 0.000 0.218 787 P C 1.479 178.933 177.300 0.256 0.000 1.149 787 P CA 0.507 63.760 63.100 0.255 0.000 0.817 787 P CB -0.101 31.762 31.700 0.273 0.000 0.785 788 F N -0.078 119.961 119.950 0.147 0.000 2.293 788 F HA -0.072 4.455 4.527 -0.000 0.000 0.300 788 F C 1.600 177.500 175.800 0.167 0.000 1.086 788 F CA 1.315 59.389 58.000 0.123 0.000 1.375 788 F CB -0.570 38.461 39.000 0.052 0.000 1.045 788 F HN -0.218 nan 8.300 nan 0.000 0.516 789 L N -0.154 121.154 121.223 0.142 0.000 2.509 789 L HA 0.018 4.358 4.340 -0.000 0.000 0.222 789 L C 1.544 178.439 176.870 0.043 0.000 1.123 789 L CA 0.167 55.044 54.840 0.061 0.000 0.856 789 L CB -0.213 42.009 42.059 0.271 0.000 0.985 789 L HN 0.174 nan 8.230 nan 0.000 0.456 790 L N -0.389 120.885 121.223 0.085 0.000 2.592 790 L HA 0.220 4.560 4.340 -0.000 0.000 0.227 790 L C 1.365 178.242 176.870 0.012 0.000 1.127 790 L CA 0.555 55.445 54.840 0.083 0.000 0.884 790 L CB -0.256 41.915 42.059 0.187 0.000 1.065 790 L HN 0.447 nan 8.230 nan 0.000 0.457 791 G N 0.912 109.673 108.800 -0.065 0.000 2.157 791 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 791 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 791 G C 0.285 175.166 174.900 -0.032 0.000 0.979 791 G CA -0.370 44.677 45.100 -0.088 0.000 0.650 791 G HN 0.289 nan 8.290 nan 0.000 0.529 792 I N 0.936 121.521 120.570 0.025 0.000 2.587 792 I HA 0.110 4.280 4.170 -0.000 0.000 0.284 792 I C 1.479 177.643 176.117 0.078 0.000 1.134 792 I CA 0.152 61.491 61.300 0.066 0.000 1.410 792 I CB 0.789 38.876 38.000 0.146 0.000 1.392 792 I HN -0.004 nan 8.210 nan 0.000 0.545 793 K N 5.258 125.694 120.400 0.061 0.000 2.354 793 K HA 0.417 4.737 4.320 -0.000 0.000 0.194 793 K C 0.248 176.897 176.600 0.082 0.000 1.045 793 K CA 0.214 56.557 56.287 0.094 0.000 1.026 793 K CB 0.876 33.424 32.500 0.079 0.000 0.866 793 K HN 0.720 nan 8.250 nan 0.000 0.530 794 A N 0.396 123.236 122.820 0.033 0.000 2.586 794 A HA 0.598 4.918 4.320 -0.000 0.000 0.290 794 A C -1.529 176.029 177.584 -0.043 0.000 1.086 794 A CA -0.627 51.400 52.037 -0.016 0.000 0.665 794 A CB 1.505 20.473 19.000 -0.054 0.000 1.279 794 A HN -0.126 nan 8.150 nan 0.000 0.423 795 V N 0.479 120.352 119.914 -0.069 0.000 2.709 795 V HA 0.625 4.745 4.120 -0.000 0.000 0.308 795 V C -1.271 174.749 176.094 -0.123 0.000 1.062 795 V CA -0.424 61.810 62.300 -0.109 0.000 0.901 795 V CB 1.636 33.413 31.823 -0.076 0.000 1.003 795 V HN 0.929 nan 8.190 nan 0.000 0.425 796 L N 4.707 125.795 121.223 -0.225 0.000 2.318 796 L HA 0.924 5.263 4.340 -0.000 0.000 0.277 796 L C 0.016 176.666 176.870 -0.366 0.000 1.008 796 L CA 0.097 54.750 54.840 -0.312 0.000 0.846 796 L CB 0.691 42.555 42.059 -0.325 0.000 1.220 796 L HN 0.841 nan 8.230 nan 0.000 0.423 797 A N 3.659 126.254 122.820 -0.374 0.000 2.437 797 A HA 0.698 5.018 4.320 -0.000 0.000 0.292 797 A C 0.444 177.960 177.584 -0.114 0.000 1.173 797 A CA -0.409 51.426 52.037 -0.337 0.000 0.785 797 A CB 1.042 19.578 19.000 -0.773 0.000 1.351 797 A HN 0.731 nan 8.150 nan 0.000 0.431 798 E N -0.389 119.821 120.200 0.017 0.000 2.166 798 E HA 0.158 4.508 4.350 -0.000 0.000 0.192 798 E C 0.105 176.704 176.600 -0.002 0.000 0.967 798 E CA 0.929 57.404 56.400 0.125 0.000 0.840 798 E CB 0.430 30.168 29.700 0.063 0.000 0.795 798 E HN 0.435 nan 8.360 nan 0.000 0.470 799 S N -0.600 115.026 115.700 -0.123 0.000 2.533 799 S HA 0.426 4.896 4.470 -0.000 0.000 0.271 799 S C -1.932 172.556 174.600 -0.186 0.000 1.143 799 S CA -0.690 57.465 58.200 -0.075 0.000 0.891 799 S CB 0.637 63.837 63.200 -0.000 0.000 1.105 799 S HN 0.076 nan 8.310 nan 0.000 0.468 800 Y N 1.725 122.090 120.300 0.108 0.000 2.468 800 Y HA 0.483 5.033 4.550 -0.000 0.000 0.342 800 Y C 0.351 176.324 175.900 0.122 0.000 1.021 800 Y CA -0.731 57.462 58.100 0.156 0.000 1.079 800 Y CB 1.259 39.801 38.460 0.137 0.000 1.226 800 Y HN 0.639 nan 8.280 nan 0.000 0.460 801 E N 3.795 124.175 120.200 0.300 0.000 2.259 801 E HA 0.103 4.453 4.350 -0.000 0.000 0.281 801 E C 0.907 177.629 176.600 0.204 0.000 1.037 801 E CA -0.152 56.361 56.400 0.189 0.000 0.854 801 E CB 0.696 30.473 29.700 0.128 0.000 1.051 801 E HN 0.710 nan 8.360 nan 0.000 0.409 802 R N 3.909 124.495 120.500 0.143 0.000 2.248 802 R HA -0.264 4.076 4.340 -0.000 0.000 0.236 802 R C 2.073 178.439 176.300 0.110 0.000 1.111 802 R CA 2.215 58.382 56.100 0.111 0.000 0.894 802 R CB -1.015 29.336 30.300 0.084 0.000 0.905 802 R HN 0.758 nan 8.270 nan 0.000 0.426 803 I N -0.900 119.737 120.570 0.110 0.000 2.053 803 I HA -0.393 3.777 4.170 -0.000 0.000 0.236 803 I C 2.508 178.695 176.117 0.118 0.000 1.038 803 I CA 2.128 63.491 61.300 0.105 0.000 1.304 803 I CB -0.631 37.433 38.000 0.105 0.000 1.023 803 I HN 0.413 nan 8.210 nan 0.000 0.395 804 H N 0.962 120.071 119.070 0.066 0.000 2.325 804 H HA -0.269 4.287 4.556 -0.000 0.000 0.293 804 H C 2.327 177.706 175.328 0.086 0.000 1.106 804 H CA 2.382 58.475 56.048 0.076 0.000 1.247 804 H CB -0.223 29.594 29.762 0.092 0.000 1.359 804 H HN 0.125 nan 8.280 nan 0.000 0.488 805 R N -0.068 120.475 120.500 0.072 0.000 2.113 805 R HA -0.196 4.144 4.340 -0.000 0.000 0.244 805 R C 2.501 178.710 176.300 -0.152 0.000 1.142 805 R CA 2.289 58.313 56.100 -0.127 0.000 0.953 805 R CB -0.373 29.854 30.300 -0.122 0.000 0.860 805 R HN 0.583 nan 8.270 nan 0.000 0.438 806 S N 0.084 115.746 115.700 -0.062 0.000 2.383 806 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 806 S C 1.537 176.099 174.600 -0.063 0.000 1.026 806 S CA 1.448 59.632 58.200 -0.028 0.000 0.981 806 S CB -0.721 62.488 63.200 0.014 0.000 0.818 806 S HN 0.534 nan 8.310 nan 0.000 0.472 807 N N 1.866 120.500 118.700 -0.110 0.000 2.149 807 N HA -0.006 4.733 4.740 -0.000 0.000 0.188 807 N C 1.726 177.121 175.510 -0.191 0.000 1.019 807 N CA 1.358 54.319 53.050 -0.148 0.000 0.857 807 N CB -0.440 37.965 38.487 -0.136 0.000 0.997 807 N HN 0.345 nan 8.380 nan 0.000 0.426 808 L N 0.727 121.800 121.223 -0.249 0.000 2.093 808 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 808 L C 2.273 179.110 176.870 -0.055 0.000 1.085 808 L CA 0.743 55.481 54.840 -0.170 0.000 0.755 808 L CB -0.359 41.586 42.059 -0.191 0.000 0.904 808 L HN 0.049 nan 8.230 nan 0.000 0.435 809 V N 0.181 120.088 119.914 -0.012 0.000 2.343 809 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 809 V C 2.627 178.758 176.094 0.063 0.000 1.051 809 V CA 1.958 64.340 62.300 0.137 0.000 1.036 809 V CB -1.276 30.666 31.823 0.198 0.000 0.654 809 V HN 0.579 nan 8.190 nan 0.000 0.451 810 G N -0.761 108.008 108.800 -0.052 0.000 2.450 810 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.220 810 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.220 810 G C 1.361 176.098 174.900 -0.272 0.000 1.130 810 G CA 0.735 45.713 45.100 -0.202 0.000 0.760 810 G HN 0.375 nan 8.290 nan 0.000 0.557 811 M N 0.184 119.633 119.600 -0.252 0.000 2.495 811 M HA 0.237 4.717 4.480 -0.000 0.000 0.237 811 M C 1.955 178.072 176.300 -0.305 0.000 1.131 811 M CA 0.544 55.592 55.300 -0.421 0.000 1.032 811 M CB -0.069 32.282 32.600 -0.415 0.000 1.513 811 M HN 0.454 nan 8.290 nan 0.000 0.488 812 G N 0.058 108.830 108.800 -0.047 0.000 2.213 812 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 812 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 812 G C 0.189 175.265 174.900 0.294 0.000 0.991 812 G CA 0.033 45.215 45.100 0.137 0.000 0.629 812 G HN 0.299 nan 8.290 nan 0.000 0.517 813 V N 2.620 122.663 119.914 0.215 0.000 2.529 813 V HA 0.304 4.424 4.120 -0.000 0.000 0.292 813 V C 1.291 177.466 176.094 0.134 0.000 1.028 813 V CA 0.025 62.443 62.300 0.196 0.000 1.074 813 V CB 1.066 32.976 31.823 0.146 0.000 0.958 813 V HN 0.332 nan 8.190 nan 0.000 0.481 814 I N 8.518 129.130 120.570 0.069 0.000 2.471 814 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 814 I C -1.997 173.933 176.117 -0.313 0.000 1.079 814 I CA -1.299 59.880 61.300 -0.202 0.000 1.398 814 I CB 1.220 39.099 38.000 -0.200 0.000 1.403 814 I HN 0.467 nan 8.210 nan 0.000 0.530 815 P HA 0.372 nan 4.420 nan 0.000 0.294 815 P C -0.991 176.053 177.300 -0.426 0.000 1.389 815 P CA -0.371 62.423 63.100 -0.509 0.000 0.875 815 P CB 0.959 32.193 31.700 -0.776 0.000 1.018 816 L N 2.638 123.746 121.223 -0.191 0.000 2.343 816 L HA 0.565 4.905 4.340 -0.000 0.000 0.275 816 L C 0.720 177.573 176.870 -0.029 0.000 1.056 816 L CA -0.508 54.233 54.840 -0.165 0.000 0.804 816 L CB 1.503 43.448 42.059 -0.191 0.000 1.203 816 L HN 0.333 nan 8.230 nan 0.000 0.440 817 E N 0.865 121.012 120.200 -0.087 0.000 2.275 817 E HA 0.327 4.677 4.350 -0.000 0.000 0.270 817 E C -1.476 175.058 176.600 -0.110 0.000 0.882 817 E CA -0.754 55.616 56.400 -0.050 0.000 0.758 817 E CB 1.531 31.281 29.700 0.084 0.000 1.195 817 E HN 0.304 nan 8.360 nan 0.000 0.419 818 Y N 1.965 122.257 120.300 -0.013 0.000 2.652 818 Y HA -0.021 4.529 4.550 -0.000 0.000 0.344 818 Y C 0.877 176.750 175.900 -0.045 0.000 1.254 818 Y CA 0.253 58.336 58.100 -0.028 0.000 1.480 818 Y CB 0.360 38.777 38.460 -0.070 0.000 1.345 818 Y HN 0.381 nan 8.280 nan 0.000 0.617 819 L N 5.271 126.572 121.223 0.131 0.000 2.461 819 L HA 0.104 4.443 4.340 -0.000 0.000 0.272 819 L C -1.855 175.050 176.870 0.057 0.000 1.197 819 L CA -1.895 52.970 54.840 0.042 0.000 0.836 819 L CB 0.082 42.164 42.059 0.038 0.000 1.105 819 L HN 0.422 nan 8.230 nan 0.000 0.477 820 P HA -0.010 nan 4.420 nan 0.000 0.260 820 P C 0.619 177.928 177.300 0.014 0.000 1.185 820 P CA 0.873 63.993 63.100 0.033 0.000 0.763 820 P CB 0.897 32.619 31.700 0.036 0.000 0.776 821 G N 2.907 111.703 108.800 -0.008 0.000 2.391 821 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.204 821 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.204 821 G C -0.103 174.750 174.900 -0.079 0.000 1.012 821 G CA -0.186 44.894 45.100 -0.034 0.000 0.651 821 G HN 0.631 nan 8.290 nan 0.000 0.494 822 E N 0.960 121.102 120.200 -0.097 0.000 2.243 822 E HA 0.710 5.060 4.350 -0.000 0.000 0.260 822 E C -0.091 176.227 176.600 -0.469 0.000 0.985 822 E CA -0.531 55.739 56.400 -0.218 0.000 0.858 822 E CB 1.764 31.356 29.700 -0.180 0.000 1.210 822 E HN 0.521 nan 8.360 nan 0.000 0.411 823 N N -1.174 117.094 118.700 -0.719 0.000 3.339 823 N HA 0.179 4.919 4.740 -0.000 0.000 0.275 823 N C 0.198 175.180 175.510 -0.880 0.000 1.514 823 N CA -0.150 52.157 53.050 -1.238 0.000 0.879 823 N CB 0.103 38.192 38.487 -0.662 0.000 1.557 823 N HN 0.466 nan 8.380 nan 0.000 0.524 824 A N -0.052 122.365 122.820 -0.672 0.000 1.915 824 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 824 A C 1.230 178.676 177.584 -0.230 0.000 1.198 824 A CA 2.642 54.503 52.037 -0.295 0.000 0.647 824 A CB -1.203 17.708 19.000 -0.149 0.000 0.825 824 A HN 0.735 nan 8.150 nan 0.000 0.456 825 D N -0.590 119.678 120.400 -0.219 0.000 2.103 825 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 825 D C 2.486 178.693 176.300 -0.155 0.000 0.978 825 D CA 1.851 55.759 54.000 -0.153 0.000 0.829 825 D CB -0.570 40.154 40.800 -0.127 0.000 0.981 825 D HN 0.594 nan 8.370 nan 0.000 0.464 826 S N 0.127 115.710 115.700 -0.195 0.000 2.399 826 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 826 S C 2.014 176.514 174.600 -0.167 0.000 1.022 826 S CA 0.639 58.740 58.200 -0.165 0.000 0.983 826 S CB -0.496 62.597 63.200 -0.178 0.000 0.803 826 S HN 0.235 nan 8.310 nan 0.000 0.480 827 L N 0.432 121.516 121.223 -0.230 0.000 2.341 827 L HA 0.275 4.615 4.340 -0.000 0.000 0.214 827 L C 2.304 179.093 176.870 -0.136 0.000 1.115 827 L CA 0.637 55.341 54.840 -0.227 0.000 0.820 827 L CB -0.603 41.208 42.059 -0.413 0.000 0.944 827 L HN 0.659 nan 8.230 nan 0.000 0.452 828 G N -0.050 108.684 108.800 -0.110 0.000 2.254 828 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.225 828 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.225 828 G C 0.403 175.288 174.900 -0.025 0.000 1.003 828 G CA -0.245 44.821 45.100 -0.056 0.000 0.622 828 G HN 0.152 nan 8.290 nan 0.000 0.507 829 L N 2.011 123.218 121.223 -0.026 0.000 2.678 829 L HA 0.143 4.483 4.340 -0.000 0.000 0.285 829 L C 2.016 178.929 176.870 0.072 0.000 1.233 829 L CA 1.224 56.102 54.840 0.065 0.000 0.920 829 L CB 0.137 42.265 42.059 0.115 0.000 1.176 829 L HN 0.505 nan 8.230 nan 0.000 0.495 830 T N -2.231 112.397 114.554 0.124 0.000 2.990 830 T HA 0.230 4.580 4.350 -0.000 0.000 0.250 830 T C 1.312 176.144 174.700 0.219 0.000 1.041 830 T CA 0.327 62.506 62.100 0.132 0.000 1.010 830 T CB 0.707 69.652 68.868 0.128 0.000 1.003 830 T HN 0.968 nan 8.240 nan 0.000 0.499 831 G N 1.898 110.869 108.800 0.286 0.000 2.159 831 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.256 831 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.256 831 G C 0.878 176.105 174.900 0.544 0.000 0.977 831 G CA 0.273 45.580 45.100 0.344 0.000 0.652 831 G HN 0.560 nan 8.290 nan 0.000 0.531 832 R N 0.031 120.770 120.500 0.398 0.000 2.365 832 R HA 0.277 4.617 4.340 -0.000 0.000 0.223 832 R C 0.655 177.093 176.300 0.229 0.000 0.899 832 R CA 0.219 56.485 56.100 0.275 0.000 1.059 832 R CB 0.285 30.678 30.300 0.154 0.000 1.086 832 R HN 0.506 nan 8.270 nan 0.000 0.522 833 E N 0.667 121.008 120.200 0.234 0.000 2.405 833 E HA 0.183 4.533 4.350 -0.000 0.000 0.253 833 E C -0.371 176.277 176.600 0.079 0.000 1.257 833 E CA -0.158 56.282 56.400 0.067 0.000 0.960 833 E CB 0.599 30.235 29.700 -0.106 0.000 1.077 833 E HN -0.109 nan 8.360 nan 0.000 0.512 834 R N 0.439 120.870 120.500 -0.114 0.000 2.387 834 R HA 0.313 4.653 4.340 -0.000 0.000 0.314 834 R C -1.133 175.096 176.300 -0.120 0.000 0.958 834 R CA -0.556 55.453 56.100 -0.152 0.000 0.846 834 R CB 0.621 30.712 30.300 -0.347 0.000 1.147 834 R HN 0.415 nan 8.270 nan 0.000 0.447 835 Y N 1.008 121.231 120.300 -0.129 0.000 2.313 835 Y HA 0.300 4.849 4.550 -0.000 0.000 0.332 835 Y C 0.491 176.332 175.900 -0.098 0.000 1.071 835 Y CA -0.378 57.669 58.100 -0.088 0.000 1.169 835 Y CB 1.972 40.401 38.460 -0.052 0.000 1.192 835 Y HN 0.385 nan 8.280 nan 0.000 0.487 836 T N 5.579 120.128 114.554 -0.008 0.000 2.841 836 T HA 0.652 5.002 4.350 -0.000 0.000 0.285 836 T C -0.589 174.078 174.700 -0.055 0.000 0.991 836 T CA -0.558 61.524 62.100 -0.030 0.000 0.966 836 T CB 0.374 69.207 68.868 -0.058 0.000 0.962 836 T HN 0.377 nan 8.240 nan 0.000 0.438 837 I N 3.956 124.507 120.570 -0.031 0.000 2.447 837 I HA 0.475 4.645 4.170 -0.000 0.000 0.287 837 I C -0.578 175.527 176.117 -0.020 0.000 1.023 837 I CA -0.822 60.447 61.300 -0.050 0.000 1.083 837 I CB 1.959 39.930 38.000 -0.049 0.000 1.245 837 I HN 0.475 nan 8.210 nan 0.000 0.434 838 I N 6.750 127.306 120.570 -0.024 0.000 2.306 838 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 838 I C -0.308 175.822 176.117 0.021 0.000 1.036 838 I CA -0.663 60.639 61.300 0.004 0.000 1.221 838 I CB 1.035 39.033 38.000 -0.003 0.000 1.385 838 I HN 0.387 nan 8.210 nan 0.000 0.472 839 I N 9.740 130.344 120.570 0.056 0.000 2.452 839 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 839 I C -1.563 174.609 176.117 0.092 0.000 1.079 839 I CA -1.623 59.731 61.300 0.089 0.000 1.387 839 I CB -0.181 37.928 38.000 0.182 0.000 1.404 839 I HN 0.373 nan 8.210 nan 0.000 0.522 840 P HA 0.090 nan 4.420 nan 0.000 0.274 840 P C 0.423 177.791 177.300 0.112 0.000 1.237 840 P CA -0.372 62.776 63.100 0.080 0.000 0.793 840 P CB 1.190 32.930 31.700 0.066 0.000 0.977 841 E N 0.685 120.943 120.200 0.097 0.000 2.077 841 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 841 E C 0.106 176.801 176.600 0.159 0.000 0.989 841 E CA 1.157 57.628 56.400 0.117 0.000 0.800 841 E CB -0.055 29.691 29.700 0.078 0.000 0.746 841 E HN 0.437 nan 8.360 nan 0.000 0.452 842 N N 1.385 120.156 118.700 0.118 0.000 2.801 842 N HA 0.157 4.897 4.740 -0.000 0.000 0.235 842 N C -0.666 174.917 175.510 0.122 0.000 1.069 842 N CA -0.087 53.032 53.050 0.115 0.000 0.946 842 N CB 0.709 39.235 38.487 0.064 0.000 1.212 842 N HN -0.068 nan 8.380 nan 0.000 0.509 843 L N 0.863 122.192 121.223 0.176 0.000 2.399 843 L HA 0.467 4.807 4.340 -0.000 0.000 0.266 843 L C 1.301 178.247 176.870 0.128 0.000 1.114 843 L CA -0.324 54.606 54.840 0.151 0.000 0.804 843 L CB 0.831 42.999 42.059 0.182 0.000 1.146 843 L HN 0.362 nan 8.230 nan 0.000 0.451 844 T N -1.004 113.610 114.554 0.099 0.000 2.907 844 T HA 0.682 5.032 4.350 -0.000 0.000 0.292 844 T C -2.761 171.989 174.700 0.083 0.000 1.043 844 T CA -2.380 59.766 62.100 0.076 0.000 1.003 844 T CB 1.834 70.730 68.868 0.047 0.000 1.084 844 T HN 0.236 nan 8.240 nan 0.000 0.483 845 P HA 0.061 nan 4.420 nan 0.000 0.266 845 P C 0.383 177.723 177.300 0.065 0.000 1.186 845 P CA 0.101 63.247 63.100 0.077 0.000 0.767 845 P CB 0.187 31.918 31.700 0.051 0.000 0.820 846 R N -1.058 119.478 120.500 0.060 0.000 3.701 846 R HA -0.239 4.101 4.340 -0.000 0.000 0.276 846 R C 0.644 177.010 176.300 0.111 0.000 1.150 846 R CA 0.639 56.774 56.100 0.058 0.000 0.763 846 R CB -2.157 28.182 30.300 0.064 0.000 1.147 846 R HN 0.593 nan 8.270 nan 0.000 0.489 847 M N 0.807 120.461 119.600 0.090 0.000 2.240 847 M HA 0.017 4.497 4.480 -0.000 0.000 0.317 847 M C 0.462 176.891 176.300 0.215 0.000 1.087 847 M CA 0.803 56.170 55.300 0.112 0.000 1.176 847 M CB 0.474 33.118 32.600 0.074 0.000 1.439 847 M HN 0.169 nan 8.290 nan 0.000 0.452 848 H N 1.672 120.734 119.070 -0.012 0.000 2.463 848 H HA 0.590 5.146 4.556 -0.000 0.000 0.332 848 H C -0.783 174.530 175.328 -0.025 0.000 1.127 848 H CA -1.137 54.901 56.048 -0.016 0.000 1.238 848 H CB 1.501 31.263 29.762 0.001 0.000 1.478 848 H HN 0.571 nan 8.280 nan 0.000 0.499 849 V N 0.599 120.538 119.914 0.042 0.000 2.876 849 V HA 0.326 4.446 4.120 -0.000 0.000 0.312 849 V C -0.445 175.613 176.094 -0.059 0.000 1.085 849 V CA -1.120 61.172 62.300 -0.013 0.000 0.945 849 V CB 2.014 33.805 31.823 -0.053 0.000 1.017 849 V HN 0.774 nan 8.190 nan 0.000 0.428 850 Q N 1.445 121.202 119.800 -0.072 0.000 2.312 850 Q HA 0.680 5.020 4.340 -0.000 0.000 0.236 850 Q C -1.421 174.435 176.000 -0.240 0.000 0.965 850 Q CA -0.564 55.160 55.803 -0.132 0.000 0.894 850 Q CB 1.924 30.608 28.738 -0.090 0.000 1.225 850 Q HN 0.817 nan 8.270 nan 0.000 0.478 851 V N 4.259 123.913 119.914 -0.434 0.000 2.409 851 V HA 0.308 4.428 4.120 -0.000 0.000 0.290 851 V C -0.845 174.949 176.094 -0.500 0.000 1.017 851 V CA -0.793 61.157 62.300 -0.584 0.000 0.841 851 V CB 1.369 32.454 31.823 -1.230 0.000 1.003 851 V HN 0.746 nan 8.190 nan 0.000 0.426 852 K N 5.744 125.969 120.400 -0.292 0.000 2.265 852 K HA 0.756 5.076 4.320 -0.000 0.000 0.267 852 K C -0.982 175.484 176.600 -0.224 0.000 0.994 852 K CA -0.662 55.497 56.287 -0.213 0.000 0.860 852 K CB 2.190 34.611 32.500 -0.132 0.000 1.099 852 K HN 0.444 nan 8.250 nan 0.000 0.448 853 L N 2.131 123.218 121.223 -0.226 0.000 2.468 853 L HA 0.054 4.394 4.340 -0.000 0.000 0.254 853 L C 1.478 178.240 176.870 -0.180 0.000 1.171 853 L CA -0.404 54.267 54.840 -0.280 0.000 0.809 853 L CB 0.664 42.569 42.059 -0.257 0.000 1.155 853 L HN 0.862 nan 8.230 nan 0.000 0.473 854 D N -1.490 118.805 120.400 -0.176 0.000 2.347 854 D HA -0.126 4.513 4.640 -0.000 0.000 0.213 854 D C 1.392 177.642 176.300 -0.083 0.000 0.985 854 D CA 1.030 54.960 54.000 -0.116 0.000 0.879 854 D CB -0.188 40.542 40.800 -0.117 0.000 0.919 854 D HN 0.681 nan 8.370 nan 0.000 0.526 855 T N -4.272 110.232 114.554 -0.084 0.000 3.148 855 T HA 0.387 4.737 4.350 -0.000 0.000 0.253 855 T C 1.704 176.379 174.700 -0.042 0.000 1.134 855 T CA 0.648 62.717 62.100 -0.052 0.000 1.051 855 T CB 0.157 69.000 68.868 -0.042 0.000 0.959 855 T HN 0.346 nan 8.240 nan 0.000 0.525 856 G N 1.269 110.037 108.800 -0.053 0.000 2.259 856 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 856 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 856 G C 0.086 174.966 174.900 -0.032 0.000 1.001 856 G CA 0.040 45.117 45.100 -0.039 0.000 0.627 856 G HN 0.819 nan 8.290 nan 0.000 0.501 857 K N 0.931 121.315 120.400 -0.026 0.000 2.397 857 K HA 0.459 4.779 4.320 -0.000 0.000 0.265 857 K C -0.301 176.304 176.600 0.008 0.000 0.982 857 K CA 1.191 57.484 56.287 0.011 0.000 0.931 857 K CB 0.320 32.842 32.500 0.037 0.000 0.943 857 K HN 0.172 nan 8.250 nan 0.000 0.501 858 T N 2.098 116.691 114.554 0.066 0.000 2.889 858 T HA 0.634 4.984 4.350 -0.000 0.000 0.315 858 T C -1.947 172.857 174.700 0.173 0.000 1.291 858 T CA -0.675 61.434 62.100 0.015 0.000 1.028 858 T CB 0.431 69.288 68.868 -0.018 0.000 1.235 858 T HN 0.546 nan 8.240 nan 0.000 0.491 859 F N 0.698 120.644 119.950 -0.005 0.000 2.744 859 F HA 0.680 5.207 4.527 -0.000 0.000 0.311 859 F C -1.258 174.548 175.800 0.011 0.000 1.144 859 F CA -1.241 56.767 58.000 0.013 0.000 0.938 859 F CB 0.897 39.919 39.000 0.037 0.000 1.292 859 F HN 0.296 nan 8.300 nan 0.000 0.444 860 Q N 1.688 121.646 119.800 0.263 0.000 2.221 860 Q HA 0.845 5.185 4.340 -0.000 0.000 0.242 860 Q C -0.652 175.446 176.000 0.164 0.000 0.940 860 Q CA -0.547 55.321 55.803 0.109 0.000 0.896 860 Q CB 1.953 30.741 28.738 0.084 0.000 1.226 860 Q HN 1.080 nan 8.270 nan 0.000 0.463 861 A N 0.440 123.242 122.820 -0.030 0.000 2.606 861 A HA 0.604 4.924 4.320 -0.000 0.000 0.293 861 A C -1.215 176.233 177.584 -0.226 0.000 1.082 861 A CA -0.640 51.352 52.037 -0.076 0.000 0.685 861 A CB 1.374 20.351 19.000 -0.037 0.000 1.284 861 A HN 0.331 nan 8.150 nan 0.000 0.408 862 V N 1.981 121.755 119.914 -0.234 0.000 2.383 862 V HA 0.336 4.456 4.120 -0.000 0.000 0.275 862 V C 0.318 176.306 176.094 -0.176 0.000 1.036 862 V CA -0.199 61.974 62.300 -0.212 0.000 0.889 862 V CB 1.168 32.903 31.823 -0.148 0.000 0.985 862 V HN 0.731 nan 8.190 nan 0.000 0.459 863 I N 6.042 126.508 120.570 -0.174 0.000 2.347 863 I HA 0.273 4.443 4.170 -0.000 0.000 0.294 863 I C 0.650 176.546 176.117 -0.368 0.000 1.090 863 I CA -0.416 60.693 61.300 -0.319 0.000 1.314 863 I CB 0.058 37.890 38.000 -0.279 0.000 1.423 863 I HN 0.535 nan 8.210 nan 0.000 0.503 864 R N 7.208 127.426 120.500 -0.470 0.000 4.154 864 R HA 0.145 4.485 4.340 -0.000 0.000 0.186 864 R C -1.419 174.629 176.300 -0.420 0.000 1.750 864 R CA 0.019 55.889 56.100 -0.384 0.000 1.431 864 R CB -0.924 29.180 30.300 -0.326 0.000 1.383 864 R HN 0.394 nan 8.270 nan 0.000 0.788 865 F N 0.461 120.322 119.950 -0.148 0.000 2.325 865 F HA 0.216 4.743 4.527 -0.000 0.000 0.369 865 F C 1.033 176.783 175.800 -0.083 0.000 1.095 865 F CA -1.492 56.428 58.000 -0.134 0.000 1.082 865 F CB 1.387 40.292 39.000 -0.158 0.000 1.289 865 F HN 0.080 nan 8.300 nan 0.000 0.462 866 D N 0.246 120.705 120.400 0.098 0.000 2.269 866 D HA -0.032 4.608 4.640 -0.000 0.000 0.208 866 D C 1.191 177.511 176.300 0.032 0.000 0.963 866 D CA 1.177 55.205 54.000 0.047 0.000 0.864 866 D CB 0.217 41.030 40.800 0.022 0.000 0.936 866 D HN 0.485 nan 8.370 nan 0.000 0.505 867 T N -2.356 112.207 114.554 0.016 0.000 2.864 867 T HA 0.192 4.542 4.350 -0.000 0.000 0.299 867 T C 0.521 175.187 174.700 -0.056 0.000 1.166 867 T CA -0.784 61.300 62.100 -0.027 0.000 1.007 867 T CB 2.183 71.008 68.868 -0.073 0.000 1.219 867 T HN -0.151 nan 8.240 nan 0.000 0.506 868 D N 1.000 121.376 120.400 -0.040 0.000 2.228 868 D HA -0.136 4.504 4.640 -0.000 0.000 0.203 868 D C 1.825 178.084 176.300 -0.068 0.000 0.988 868 D CA 0.915 54.910 54.000 -0.008 0.000 0.864 868 D CB -0.572 40.267 40.800 0.066 0.000 0.928 868 D HN 0.310 nan 8.370 nan 0.000 0.469 869 V N 1.176 120.922 119.914 -0.281 0.000 2.379 869 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 869 V C 2.521 178.176 176.094 -0.732 0.000 1.044 869 V CA 1.755 63.663 62.300 -0.653 0.000 1.036 869 V CB -0.460 30.855 31.823 -0.847 0.000 0.664 869 V HN 0.181 nan 8.190 nan 0.000 0.453 870 E N 0.196 120.130 120.200 -0.442 0.000 2.072 870 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 870 E C 2.276 178.672 176.600 -0.340 0.000 0.985 870 E CA 1.145 57.359 56.400 -0.310 0.000 0.801 870 E CB -0.238 29.431 29.700 -0.052 0.000 0.750 870 E HN 0.467 nan 8.360 nan 0.000 0.452 871 L N 0.947 122.016 121.223 -0.257 0.000 2.081 871 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 871 L C 2.598 179.482 176.870 0.023 0.000 1.080 871 L CA 1.286 56.025 54.840 -0.170 0.000 0.754 871 L CB -0.605 41.472 42.059 0.031 0.000 0.893 871 L HN 0.190 nan 8.230 nan 0.000 0.433 872 T N -1.550 112.940 114.554 -0.107 0.000 2.777 872 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 872 T C 1.733 176.358 174.700 -0.125 0.000 1.040 872 T CA 1.174 63.189 62.100 -0.141 0.000 1.141 872 T CB -0.251 68.457 68.868 -0.266 0.000 0.868 872 T HN 0.174 nan 8.240 nan 0.000 0.444 873 Y N 0.579 120.760 120.300 -0.197 0.000 2.165 873 Y HA -0.030 4.520 4.550 -0.000 0.000 0.286 873 Y C 2.115 177.941 175.900 -0.124 0.000 1.155 873 Y CA -0.212 57.790 58.100 -0.163 0.000 1.164 873 Y CB -1.216 37.167 38.460 -0.127 0.000 0.978 873 Y HN 0.215 nan 8.280 nan 0.000 0.513 874 F N 0.653 120.461 119.950 -0.236 0.000 2.069 874 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 874 F C 2.273 177.931 175.800 -0.238 0.000 1.113 874 F CA 1.990 59.758 58.000 -0.386 0.000 1.214 874 F CB -0.962 37.439 39.000 -0.998 0.000 0.978 874 F HN 0.110 nan 8.300 nan 0.000 0.474 875 H N -0.455 118.400 119.070 -0.358 0.000 2.457 875 H HA -0.086 4.470 4.556 -0.000 0.000 0.297 875 H C 1.768 176.949 175.328 -0.245 0.000 1.092 875 H CA 1.671 57.494 56.048 -0.376 0.000 1.309 875 H CB -0.387 29.258 29.762 -0.194 0.000 1.382 875 H HN 0.334 nan 8.280 nan 0.000 0.535 876 N N -0.493 118.189 118.700 -0.030 0.000 2.353 876 N HA 0.012 4.752 4.740 -0.000 0.000 0.185 876 N C 0.912 176.418 175.510 -0.006 0.000 1.098 876 N CA 0.825 53.893 53.050 0.029 0.000 0.872 876 N CB 0.871 39.444 38.487 0.143 0.000 0.970 876 N HN 0.517 nan 8.380 nan 0.000 0.467 877 G N 0.474 109.226 108.800 -0.080 0.000 2.136 877 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.242 877 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.242 877 G C 0.309 175.174 174.900 -0.058 0.000 0.989 877 G CA 0.242 45.311 45.100 -0.051 0.000 0.682 877 G HN 0.717 nan 8.290 nan 0.000 0.522 878 G N -1.858 106.916 108.800 -0.044 0.000 2.348 878 G HA2 0.301 4.261 3.960 -0.000 0.000 0.606 878 G HA3 0.301 4.261 3.960 -0.000 0.000 0.606 878 G C 0.575 175.368 174.900 -0.178 0.000 1.466 878 G CA -0.064 44.951 45.100 -0.141 0.000 0.950 878 G HN 1.202 nan 8.290 nan 0.000 0.657 879 I N 0.262 120.560 120.570 -0.453 0.000 2.208 879 I HA -0.150 4.019 4.170 -0.000 0.000 0.245 879 I C 2.575 178.535 176.117 -0.261 0.000 1.097 879 I CA 1.481 62.396 61.300 -0.642 0.000 1.363 879 I CB -0.097 37.348 38.000 -0.925 0.000 1.051 879 I HN 0.513 nan 8.210 nan 0.000 0.413 880 L N 1.292 122.370 121.223 -0.242 0.000 1.989 880 L HA -0.277 4.063 4.340 -0.000 0.000 0.211 880 L C 2.197 178.990 176.870 -0.129 0.000 1.071 880 L CA 2.017 56.761 54.840 -0.160 0.000 0.749 880 L CB -1.656 40.398 42.059 -0.009 0.000 0.890 880 L HN 0.330 nan 8.230 nan 0.000 0.431 881 N N -1.650 117.030 118.700 -0.034 0.000 2.094 881 N HA -0.285 4.455 4.740 -0.000 0.000 0.191 881 N C 1.784 177.300 175.510 0.011 0.000 1.023 881 N CA 1.488 54.521 53.050 -0.028 0.000 0.857 881 N CB -0.711 37.811 38.487 0.058 0.000 1.013 881 N HN 0.340 nan 8.380 nan 0.000 0.426 882 Y N 1.127 121.392 120.300 -0.059 0.000 2.114 882 Y HA -0.178 4.372 4.550 -0.000 0.000 0.282 882 Y C 2.404 178.292 175.900 -0.020 0.000 1.165 882 Y CA 1.539 59.644 58.100 0.008 0.000 1.148 882 Y CB -0.598 37.937 38.460 0.125 0.000 0.972 882 Y HN 0.095 nan 8.280 nan 0.000 0.504 883 M N -0.695 118.801 119.600 -0.173 0.000 2.132 883 M HA -0.181 4.298 4.480 -0.000 0.000 0.263 883 M C 2.081 178.255 176.300 -0.210 0.000 1.065 883 M CA 1.868 57.017 55.300 -0.252 0.000 1.122 883 M CB -0.341 32.158 32.600 -0.167 0.000 1.365 883 M HN 0.346 nan 8.290 nan 0.000 0.411 884 I N -0.061 120.380 120.570 -0.214 0.000 2.315 884 I HA -0.349 3.821 4.170 -0.000 0.000 0.251 884 I C 2.337 178.369 176.117 -0.142 0.000 1.125 884 I CA 1.372 62.546 61.300 -0.211 0.000 1.392 884 I CB -0.405 37.392 38.000 -0.339 0.000 1.065 884 I HN 0.366 nan 8.210 nan 0.000 0.424 885 R N 0.417 120.839 120.500 -0.130 0.000 2.080 885 R HA -0.091 4.249 4.340 -0.000 0.000 0.222 885 R C 2.277 178.505 176.300 -0.119 0.000 1.107 885 R CA 0.695 56.741 56.100 -0.090 0.000 0.980 885 R CB -0.283 29.997 30.300 -0.032 0.000 0.879 885 R HN 0.217 nan 8.270 nan 0.000 0.439 886 K N 0.133 120.404 120.400 -0.215 0.000 2.281 886 K HA -0.125 4.195 4.320 -0.000 0.000 0.203 886 K C 1.651 178.174 176.600 -0.128 0.000 1.046 886 K CA 1.182 57.337 56.287 -0.219 0.000 0.938 886 K CB 0.220 32.495 32.500 -0.375 0.000 0.737 886 K HN 0.030 nan 8.250 nan 0.000 0.458 887 M N -0.801 118.735 119.600 -0.106 0.000 2.556 887 M HA 0.139 4.619 4.480 -0.000 0.000 0.259 887 M C 2.293 178.569 176.300 -0.041 0.000 1.175 887 M CA 1.032 56.297 55.300 -0.059 0.000 1.202 887 M CB -1.357 31.222 32.600 -0.036 0.000 1.298 887 M HN 0.084 nan 8.290 nan 0.000 0.492 888 A N 1.015 123.809 122.820 -0.043 0.000 2.038 888 A HA -0.200 4.120 4.320 -0.000 0.000 0.224 888 A C 1.506 179.079 177.584 -0.019 0.000 1.190 888 A CA 1.524 53.545 52.037 -0.027 0.000 0.668 888 A CB -0.786 18.195 19.000 -0.031 0.000 0.820 888 A HN 0.344 nan 8.150 nan 0.000 0.474 889 K N 0.000 120.384 120.400 -0.026 0.000 2.780 889 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 889 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 889 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 889 K HN 0.000 nan 8.250 nan 0.000 0.543