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 3iek_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 R N 2.905 123.395 120.500 -0.017 0.000 2.698 2 R HA 0.785 5.125 4.340 0.001 0.000 0.275 2 R C -1.699 174.577 176.300 -0.040 0.000 1.001 2 R CA -0.939 55.144 56.100 -0.027 0.000 0.896 2 R CB 2.858 33.142 30.300 -0.027 0.000 1.218 2 R HN 0.656 nan 8.270 nan 0.000 0.462 3 I N 1.559 122.096 120.570 -0.056 0.000 2.465 3 I HA 0.357 4.527 4.170 0.001 0.000 0.291 3 I C -1.367 174.682 176.117 -0.114 0.000 1.014 3 I CA -0.671 60.582 61.300 -0.078 0.000 1.093 3 I CB 2.149 40.100 38.000 -0.082 0.000 1.267 3 I HN 0.329 nan 8.210 nan 0.000 0.431 4 V N 9.106 128.933 119.914 -0.143 0.000 2.350 4 V HA 0.491 4.612 4.120 0.001 0.000 0.285 4 V C -2.390 173.473 176.094 -0.385 0.000 1.014 4 V CA -1.661 60.457 62.300 -0.303 0.000 0.831 4 V CB 1.246 32.857 31.823 -0.352 0.000 1.000 4 V HN 0.636 nan 8.190 nan 0.000 0.433 5 P HA 0.299 nan 4.420 nan 0.000 0.276 5 P C -0.505 176.460 177.300 -0.558 0.000 1.243 5 P CA 0.099 63.139 63.100 -0.099 0.000 0.768 5 P CB 0.244 31.955 31.700 0.018 0.000 0.856 6 F N 2.741 122.558 119.950 -0.221 0.000 2.850 6 F HA 0.541 5.069 4.527 0.001 0.000 0.329 6 F C 1.032 176.907 175.800 0.125 0.000 1.182 6 F CA 0.071 57.902 58.000 -0.282 0.000 1.270 6 F CB 0.607 39.581 39.000 -0.043 0.000 0.979 6 F HN 0.415 nan 8.300 nan 0.000 0.506 7 G N -1.395 107.548 108.800 0.239 0.000 2.325 7 G HA2 0.496 4.457 3.960 0.001 0.000 0.297 7 G HA3 0.496 4.457 3.960 0.001 0.000 0.297 7 G C -0.087 174.900 174.900 0.145 0.000 1.448 7 G CA -0.078 45.179 45.100 0.262 0.000 0.838 7 G HN 0.702 nan 8.290 nan 0.000 0.579 8 A N -1.991 120.916 122.820 0.145 0.000 2.832 8 A HA 0.271 4.592 4.320 0.001 0.000 0.280 8 A C 1.064 178.762 177.584 0.191 0.000 1.464 8 A CA 1.837 53.955 52.037 0.135 0.000 0.804 8 A CB -1.540 17.562 19.000 0.171 0.000 1.020 8 A HN 2.614 nan 8.150 nan 0.000 0.563 9 A N -0.795 122.156 122.820 0.219 0.000 2.260 9 A HA 0.685 5.006 4.320 0.001 0.000 0.312 9 A C 1.097 178.750 177.584 0.116 0.000 1.321 9 A CA 0.398 52.541 52.037 0.177 0.000 0.928 9 A CB 0.070 19.201 19.000 0.219 0.000 1.158 9 A HN 1.480 nan 8.150 nan 0.000 0.542 10 R N -0.276 120.270 120.500 0.076 0.000 3.875 10 R HA -0.187 4.153 4.340 0.001 0.000 0.321 10 R C 0.182 176.493 176.300 0.018 0.000 1.196 10 R CA 1.941 58.064 56.100 0.038 0.000 0.868 10 R CB -1.744 28.575 30.300 0.032 0.000 1.333 10 R HN 1.025 nan 8.270 nan 0.000 0.522 11 E N -1.678 118.532 120.200 0.018 0.000 2.423 11 E HA 0.319 4.670 4.350 0.001 0.000 0.280 11 E C 0.266 176.805 176.600 -0.101 0.000 1.030 11 E CA -0.249 56.140 56.400 -0.019 0.000 0.812 11 E CB 1.107 30.830 29.700 0.038 0.000 1.313 11 E HN 0.043 nan 8.360 nan 0.000 0.456 12 V N -1.511 118.282 119.914 -0.202 0.000 3.354 12 V HA 0.142 4.263 4.120 0.001 0.000 0.258 12 V C 0.896 176.723 176.094 -0.445 0.000 1.159 12 V CA 1.500 63.497 62.300 -0.504 0.000 1.125 12 V CB -0.566 30.964 31.823 -0.488 0.000 0.774 12 V HN 0.720 nan 8.190 nan 0.000 0.464 13 T N -3.478 110.973 114.554 -0.171 0.000 2.937 13 T HA 0.674 5.024 4.350 0.001 0.000 0.283 13 T C 1.061 175.580 174.700 -0.303 0.000 1.012 13 T CA 0.209 62.216 62.100 -0.155 0.000 0.997 13 T CB 1.134 69.969 68.868 -0.056 0.000 1.136 13 T HN 1.635 nan 8.240 nan 0.000 0.551 14 G N 0.514 108.973 108.800 -0.569 0.000 2.136 14 G HA2 -0.251 3.710 3.960 0.001 0.000 0.242 14 G HA3 -0.251 3.710 3.960 0.001 0.000 0.242 14 G C 0.216 174.741 174.900 -0.626 0.000 0.989 14 G CA 0.037 44.459 45.100 -1.130 0.000 0.682 14 G HN 1.107 nan 8.290 nan 0.000 0.522 15 S N 0.438 115.882 115.700 -0.425 0.000 2.784 15 S HA 0.425 4.896 4.470 0.001 0.000 0.322 15 S C 0.574 174.946 174.600 -0.380 0.000 1.234 15 S CA 1.006 58.990 58.200 -0.359 0.000 1.064 15 S CB 0.726 63.681 63.200 -0.408 0.000 0.787 15 S HN 1.943 nan 8.310 nan 0.000 0.506 16 A N 4.753 127.215 122.820 -0.598 0.000 2.511 16 A HA 0.532 4.853 4.320 0.001 0.000 0.292 16 A C -1.157 176.063 177.584 -0.606 0.000 1.045 16 A CA -0.789 51.024 52.037 -0.374 0.000 0.870 16 A CB 0.965 19.940 19.000 -0.041 0.000 1.361 16 A HN 0.810 nan 8.150 nan 0.000 0.396 17 H N 2.419 121.409 119.070 -0.134 0.000 2.744 17 H HA 0.437 4.993 4.556 0.001 0.000 0.339 17 H C -1.305 173.900 175.328 -0.204 0.000 1.004 17 H CA -0.689 55.244 56.048 -0.191 0.000 1.257 17 H CB 2.020 31.553 29.762 -0.382 0.000 1.552 17 H HN 0.540 nan 8.280 nan 0.000 0.522 18 L N 4.423 125.617 121.223 -0.049 0.000 2.260 18 L HA 0.196 4.537 4.340 0.001 0.000 0.289 18 L C -0.739 176.069 176.870 -0.103 0.000 1.057 18 L CA -0.581 54.165 54.840 -0.157 0.000 0.811 18 L CB 0.425 42.385 42.059 -0.164 0.000 1.184 18 L HN 0.426 nan 8.230 nan 0.000 0.429 19 L N 6.665 127.824 121.223 -0.106 0.000 2.264 19 L HA 0.483 4.823 4.340 0.001 0.000 0.289 19 L C -1.148 175.687 176.870 -0.057 0.000 1.044 19 L CA 0.064 54.864 54.840 -0.065 0.000 0.807 19 L CB 0.718 42.752 42.059 -0.042 0.000 1.192 19 L HN 0.525 nan 8.230 nan 0.000 0.425 20 L N 6.714 127.913 121.223 -0.040 0.000 2.295 20 L HA 0.896 5.237 4.340 0.001 0.000 0.281 20 L C -0.164 176.696 176.870 -0.017 0.000 1.018 20 L CA -0.283 54.541 54.840 -0.028 0.000 0.841 20 L CB 0.865 42.912 42.059 -0.020 0.000 1.218 20 L HN 0.875 nan 8.230 nan 0.000 0.424 21 A N 1.538 124.351 122.820 -0.012 0.000 2.567 21 A HA 0.629 4.949 4.320 0.001 0.000 0.291 21 A C 0.430 178.012 177.584 -0.002 0.000 1.048 21 A CA 0.036 52.070 52.037 -0.005 0.000 0.661 21 A CB 0.806 19.805 19.000 -0.001 0.000 1.288 21 A HN 0.865 nan 8.150 nan 0.000 0.424 22 G N -0.670 108.130 108.800 -0.001 0.000 2.187 22 G HA2 0.215 4.176 3.960 0.001 0.000 0.261 22 G HA3 0.215 4.176 3.960 0.001 0.000 0.261 22 G C 1.817 176.717 174.900 -0.001 0.000 1.000 22 G CA 1.649 46.749 45.100 -0.001 0.000 0.718 22 G HN 3.002 nan 8.290 nan 0.000 0.519 23 G N -2.059 106.740 108.800 -0.001 0.000 2.136 23 G HA2 -0.189 3.772 3.960 0.001 0.000 0.242 23 G HA3 -0.189 3.772 3.960 0.001 0.000 0.242 23 G C 0.341 175.243 174.900 0.002 0.000 0.989 23 G CA 1.140 46.241 45.100 0.001 0.000 0.682 23 G HN 1.016 nan 8.290 nan 0.000 0.522 24 R N -1.005 119.495 120.500 -0.000 0.000 2.905 24 R HA 0.686 5.027 4.340 0.001 0.000 0.260 24 R C -0.250 176.043 176.300 -0.011 0.000 1.086 24 R CA -0.948 55.152 56.100 0.001 0.000 0.978 24 R CB 1.097 31.401 30.300 0.006 0.000 1.215 24 R HN 0.253 nan 8.270 nan 0.000 0.480 25 R N 0.576 121.066 120.500 -0.017 0.000 2.435 25 R HA 0.478 4.818 4.340 0.001 0.000 0.308 25 R C -0.985 175.274 176.300 -0.069 0.000 0.975 25 R CA -0.612 55.456 56.100 -0.053 0.000 0.867 25 R CB 1.942 32.205 30.300 -0.063 0.000 1.171 25 R HN 0.183 nan 8.270 nan 0.000 0.470 26 V N 4.689 124.552 119.914 -0.084 0.000 2.444 26 V HA 0.287 4.408 4.120 0.001 0.000 0.294 26 V C -0.573 175.437 176.094 -0.140 0.000 1.022 26 V CA -0.925 61.327 62.300 -0.080 0.000 0.850 26 V CB 1.832 33.638 31.823 -0.029 0.000 0.992 26 V HN 0.496 nan 8.190 nan 0.000 0.426 27 L N 6.672 127.779 121.223 -0.194 0.000 2.265 27 L HA 0.500 4.841 4.340 0.001 0.000 0.288 27 L C -0.406 176.406 176.870 -0.097 0.000 1.058 27 L CA 0.215 54.906 54.840 -0.249 0.000 0.809 27 L CB 0.787 42.608 42.059 -0.397 0.000 1.179 27 L HN 0.530 nan 8.230 nan 0.000 0.429 28 L N 5.866 127.052 121.223 -0.061 0.000 2.259 28 L HA 0.424 4.765 4.340 0.001 0.000 0.288 28 L C -0.623 176.308 176.870 0.101 0.000 1.051 28 L CA -0.692 54.191 54.840 0.072 0.000 0.824 28 L CB 0.371 42.435 42.059 0.008 0.000 1.206 28 L HN 0.675 nan 8.230 nan 0.000 0.429 29 D N 1.132 121.632 120.400 0.166 0.000 10.806 29 D HA -0.228 4.413 4.640 0.001 0.000 0.351 29 D C -0.765 175.538 176.300 0.006 0.000 3.130 29 D CA 0.372 54.456 54.000 0.141 0.000 2.646 29 D CB -0.096 40.861 40.800 0.262 0.000 1.204 29 D HN 0.703 nan 8.370 nan 0.000 0.941 30 C N 2.528 121.830 119.300 0.005 0.000 3.253 30 C HA 0.560 5.021 4.460 0.001 0.000 0.230 30 C C 0.547 175.547 174.990 0.016 0.000 1.124 30 C CA 0.448 59.474 59.018 0.013 0.000 1.143 30 C CB -0.569 27.185 27.740 0.022 0.000 1.794 30 C HN 0.640 nan 8.230 nan 0.000 0.617 31 G N 2.930 111.675 108.800 -0.092 0.000 2.451 31 G HA2 0.601 4.562 3.960 0.001 0.000 0.303 31 G HA3 0.601 4.562 3.960 0.001 0.000 0.303 31 G C -0.193 174.601 174.900 -0.176 0.000 1.166 31 G CA -0.555 44.472 45.100 -0.121 0.000 0.884 31 G HN 0.828 nan 8.290 nan 0.000 0.514 32 M N -0.178 119.373 119.600 -0.080 0.000 2.368 32 M HA 0.680 5.161 4.480 0.001 0.000 0.311 32 M C -1.094 175.075 176.300 -0.219 0.000 1.168 32 M CA -0.503 54.743 55.300 -0.090 0.000 1.044 32 M CB 1.077 33.792 32.600 0.192 0.000 1.506 32 M HN 0.222 nan 8.290 nan 0.000 0.475 33 F N 1.061 120.964 119.950 -0.078 0.000 2.389 33 F HA 0.423 4.951 4.527 0.001 0.000 0.337 33 F C 0.501 176.275 175.800 -0.043 0.000 1.112 33 F CA 0.134 58.088 58.000 -0.078 0.000 1.192 33 F CB 1.013 39.933 39.000 -0.134 0.000 1.185 33 F HN 0.620 nan 8.300 nan 0.000 0.552 34 Q N 0.425 120.314 119.800 0.149 0.000 2.683 34 Q HA 0.598 4.939 4.340 0.001 0.000 0.302 34 Q C 0.401 176.457 176.000 0.094 0.000 1.042 34 Q CA -0.652 55.215 55.803 0.105 0.000 0.773 34 Q CB 2.159 30.942 28.738 0.074 0.000 1.508 34 Q HN 0.845 nan 8.270 nan 0.000 0.459 35 G N 1.636 110.490 108.800 0.091 0.000 2.611 35 G HA2 -0.433 3.528 3.960 0.001 0.000 0.301 35 G HA3 -0.433 3.528 3.960 0.001 0.000 0.301 35 G C 0.409 175.343 174.900 0.055 0.000 1.233 35 G CA 0.783 45.931 45.100 0.081 0.000 0.993 35 G HN 0.781 nan 8.290 nan 0.000 0.553 36 K N 0.861 121.286 120.400 0.041 0.000 2.616 36 K HA 0.166 4.487 4.320 0.001 0.000 0.192 36 K C 1.317 177.909 176.600 -0.013 0.000 1.031 36 K CA 1.937 58.232 56.287 0.014 0.000 1.004 36 K CB 0.184 32.690 32.500 0.009 0.000 0.810 36 K HN 0.455 nan 8.250 nan 0.000 0.497 37 E N 0.398 120.599 120.200 0.002 0.000 2.601 37 E HA -0.002 4.348 4.350 0.001 0.000 0.219 37 E C 0.853 177.412 176.600 -0.068 0.000 0.964 37 E CA -0.110 56.253 56.400 -0.062 0.000 1.050 37 E CB 0.581 30.278 29.700 -0.006 0.000 1.068 37 E HN 0.309 nan 8.360 nan 0.000 0.496 38 E N 1.543 121.747 120.200 0.007 0.000 2.132 38 E HA -0.344 4.007 4.350 0.001 0.000 0.218 38 E C 1.812 178.347 176.600 -0.110 0.000 1.058 38 E CA 2.240 58.644 56.400 0.006 0.000 0.882 38 E CB -0.270 29.456 29.700 0.043 0.000 0.774 38 E HN 0.293 nan 8.360 nan 0.000 0.467 39 A N 0.230 122.991 122.820 -0.097 0.000 2.084 39 A HA -0.251 4.069 4.320 0.001 0.000 0.221 39 A C 2.019 179.447 177.584 -0.260 0.000 1.161 39 A CA 1.860 53.841 52.037 -0.093 0.000 0.653 39 A CB -0.635 18.350 19.000 -0.024 0.000 0.802 39 A HN 0.306 nan 8.150 nan 0.000 0.457 40 R N -0.395 119.872 120.500 -0.388 0.000 2.328 40 R HA -0.047 4.294 4.340 0.001 0.000 0.207 40 R C 1.164 177.169 176.300 -0.491 0.000 1.056 40 R CA 1.096 56.865 56.100 -0.551 0.000 1.016 40 R CB -0.444 29.213 30.300 -1.070 0.000 0.872 40 R HN 0.696 nan 8.270 nan 0.000 0.471 41 N N -0.094 118.257 118.700 -0.582 0.000 2.573 41 N HA -0.091 4.650 4.740 0.001 0.000 0.187 41 N C 0.842 175.762 175.510 -0.985 0.000 1.107 41 N CA 0.429 52.954 53.050 -0.876 0.000 0.918 41 N CB 0.122 37.773 38.487 -1.394 0.000 0.966 41 N HN 0.336 nan 8.380 nan 0.000 0.448 42 H N -0.344 118.504 119.070 -0.369 0.000 2.582 42 H HA 0.294 4.851 4.556 0.001 0.000 0.269 42 H C 1.004 176.206 175.328 -0.212 0.000 0.962 42 H CA -0.024 55.893 56.048 -0.219 0.000 1.230 42 H CB -0.060 29.636 29.762 -0.111 0.000 1.445 42 H HN 0.134 nan 8.280 nan 0.000 0.528 43 A N 3.442 126.154 122.820 -0.179 0.000 2.366 43 A HA 0.269 4.589 4.320 0.001 0.000 0.250 43 A C -1.756 175.688 177.584 -0.234 0.000 1.099 43 A CA -0.903 51.028 52.037 -0.177 0.000 0.794 43 A CB -0.275 18.597 19.000 -0.214 0.000 1.056 43 A HN 0.049 nan 8.150 nan 0.000 0.499 44 P HA 0.230 nan 4.420 nan 0.000 0.278 44 P C 0.080 177.260 177.300 -0.201 0.000 1.238 44 P CA -0.260 62.719 63.100 -0.202 0.000 0.794 44 P CB 0.472 32.115 31.700 -0.094 0.000 0.955 45 F N 1.306 121.085 119.950 -0.284 0.000 2.091 45 F HA -0.048 4.480 4.527 0.001 0.000 0.299 45 F C 2.241 177.797 175.800 -0.407 0.000 1.103 45 F CA 2.736 60.450 58.000 -0.477 0.000 1.228 45 F CB -0.985 37.242 39.000 -1.287 0.000 0.984 45 F HN 0.639 nan 8.300 nan 0.000 0.477 46 G N -1.186 107.464 108.800 -0.250 0.000 2.192 46 G HA2 -0.182 3.779 3.960 0.001 0.000 0.193 46 G HA3 -0.182 3.779 3.960 0.001 0.000 0.193 46 G C 0.038 174.763 174.900 -0.291 0.000 0.999 46 G CA -0.136 44.908 45.100 -0.095 0.000 0.659 46 G HN 0.490 nan 8.290 nan 0.000 0.503 47 F N -0.717 118.975 119.950 -0.431 0.000 2.662 47 F HA 0.786 5.314 4.527 0.001 0.000 0.312 47 F C -0.956 174.731 175.800 -0.189 0.000 1.113 47 F CA -1.824 55.961 58.000 -0.359 0.000 0.951 47 F CB 1.083 39.726 39.000 -0.595 0.000 1.344 47 F HN -0.076 nan 8.300 nan 0.000 0.462 48 D N 2.293 122.734 120.400 0.068 0.000 2.339 48 D HA 0.358 4.998 4.640 0.001 0.000 0.241 48 D C -1.897 174.454 176.300 0.085 0.000 1.183 48 D CA -2.387 51.624 54.000 0.019 0.000 0.859 48 D CB 1.638 42.463 40.800 0.041 0.000 1.067 48 D HN 0.234 nan 8.370 nan 0.000 0.484 49 P HA -0.114 nan 4.420 nan 0.000 0.218 49 P C 0.799 178.142 177.300 0.073 0.000 1.148 49 P CA 1.190 64.273 63.100 -0.028 0.000 0.822 49 P CB 0.288 31.926 31.700 -0.103 0.000 0.784 50 K N -0.601 119.833 120.400 0.056 0.000 2.439 50 K HA -0.064 4.257 4.320 0.001 0.000 0.197 50 K C 1.163 177.801 176.600 0.063 0.000 1.041 50 K CA 0.742 57.061 56.287 0.054 0.000 0.970 50 K CB -0.059 32.455 32.500 0.023 0.000 0.773 50 K HN 0.149 nan 8.250 nan 0.000 0.479 51 E N 0.473 120.715 120.200 0.069 0.000 2.481 51 E HA 0.041 4.392 4.350 0.001 0.000 0.198 51 E C -0.204 176.425 176.600 0.050 0.000 1.027 51 E CA 0.078 56.510 56.400 0.053 0.000 0.900 51 E CB 0.482 30.208 29.700 0.044 0.000 0.993 51 E HN -0.057 nan 8.360 nan 0.000 0.482 52 V N 2.668 122.627 119.914 0.076 0.000 2.508 52 V HA 0.007 4.128 4.120 0.001 0.000 0.281 52 V C 1.204 177.412 176.094 0.190 0.000 1.041 52 V CA 0.102 62.416 62.300 0.023 0.000 1.016 52 V CB 1.289 32.980 31.823 -0.220 0.000 0.984 52 V HN 0.038 nan 8.190 nan 0.000 0.478 53 D N 2.979 123.442 120.400 0.106 0.000 2.240 53 D HA 0.270 4.911 4.640 0.001 0.000 0.206 53 D C 0.579 177.004 176.300 0.209 0.000 0.963 53 D CA 1.247 55.326 54.000 0.132 0.000 0.863 53 D CB 0.879 41.720 40.800 0.068 0.000 0.973 53 D HN 0.684 nan 8.370 nan 0.000 0.501 54 A N -0.153 122.775 122.820 0.180 0.000 2.608 54 A HA 0.541 4.862 4.320 0.001 0.000 0.292 54 A C -1.511 176.133 177.584 0.100 0.000 1.066 54 A CA -0.565 51.620 52.037 0.246 0.000 0.676 54 A CB 1.519 20.692 19.000 0.290 0.000 1.277 54 A HN -0.114 nan 8.150 nan 0.000 0.413 55 V N 0.752 120.756 119.914 0.151 0.000 2.656 55 V HA 0.663 4.784 4.120 0.001 0.000 0.307 55 V C -1.134 175.080 176.094 0.200 0.000 1.051 55 V CA -0.465 61.868 62.300 0.054 0.000 0.893 55 V CB 1.518 33.312 31.823 -0.049 0.000 0.999 55 V HN 0.733 nan 8.190 nan 0.000 0.426 56 L N 4.973 126.308 121.223 0.187 0.000 2.365 56 L HA 0.630 4.970 4.340 0.001 0.000 0.273 56 L C -0.634 176.421 176.870 0.310 0.000 1.000 56 L CA -0.077 54.942 54.840 0.297 0.000 0.819 56 L CB 1.836 44.042 42.059 0.244 0.000 1.284 56 L HN 0.451 nan 8.230 nan 0.000 0.418 57 L N 2.104 123.524 121.223 0.329 0.000 2.325 57 L HA 0.417 4.758 4.340 0.001 0.000 0.281 57 L C 1.165 178.081 176.870 0.076 0.000 1.004 57 L CA -0.422 54.531 54.840 0.188 0.000 0.823 57 L CB 1.833 43.950 42.059 0.097 0.000 1.236 57 L HN 0.804 nan 8.230 nan 0.000 0.415 58 T N -2.351 112.238 114.554 0.060 0.000 2.951 58 T HA -0.004 4.346 4.350 0.001 0.000 0.268 58 T C 0.542 175.172 174.700 -0.117 0.000 1.073 58 T CA 0.799 62.839 62.100 -0.100 0.000 1.134 58 T CB -0.190 68.692 68.868 0.024 0.000 0.884 58 T HN 0.752 nan 8.240 nan 0.000 0.479 59 H N -2.461 116.485 119.070 -0.208 0.000 2.917 59 H HA 0.622 5.179 4.556 0.001 0.000 0.299 59 H C 0.395 175.635 175.328 -0.148 0.000 1.418 59 H CA -0.458 55.440 56.048 -0.249 0.000 1.138 59 H CB 1.082 30.657 29.762 -0.312 0.000 1.830 59 H HN 0.018 nan 8.280 nan 0.000 0.514 60 A N 0.026 122.797 122.820 -0.081 0.000 2.208 60 A HA 0.035 4.355 4.320 0.001 0.000 0.209 60 A C 0.507 178.115 177.584 0.040 0.000 1.161 60 A CA 0.015 52.016 52.037 -0.060 0.000 0.782 60 A CB -1.236 17.720 19.000 -0.074 0.000 0.816 60 A HN 0.660 nan 8.150 nan 0.000 0.477 61 H N -1.378 117.740 119.070 0.080 0.000 2.948 61 H HA 0.041 4.597 4.556 0.001 0.000 0.351 61 H C 1.312 176.685 175.328 0.075 0.000 1.079 61 H CA -0.276 55.838 56.048 0.110 0.000 1.407 61 H CB 0.718 30.632 29.762 0.254 0.000 1.373 61 H HN 0.225 nan 8.280 nan 0.000 0.605 62 L N 2.367 123.711 121.223 0.202 0.000 2.079 62 L HA -0.188 4.153 4.340 0.001 0.000 0.210 62 L C 1.922 178.859 176.870 0.113 0.000 1.081 62 L CA 1.756 56.675 54.840 0.131 0.000 0.752 62 L CB -0.504 41.617 42.059 0.102 0.000 0.896 62 L HN 0.795 nan 8.230 nan 0.000 0.433 63 D N -2.980 117.497 120.400 0.129 0.000 2.358 63 D HA -0.171 4.470 4.640 0.001 0.000 0.241 63 D C 1.269 177.529 176.300 -0.067 0.000 1.094 63 D CA 0.823 54.851 54.000 0.045 0.000 0.907 63 D CB -0.305 40.537 40.800 0.071 0.000 0.893 63 D HN 0.547 nan 8.370 nan 0.000 0.528 64 H N -0.811 118.248 119.070 -0.019 0.000 3.583 64 H HA 0.100 4.656 4.556 0.001 0.000 0.251 64 H C 1.645 176.942 175.328 -0.052 0.000 1.060 64 H CA 0.775 56.773 56.048 -0.082 0.000 1.159 64 H CB 1.590 31.151 29.762 -0.334 0.000 1.496 64 H HN 0.177 nan 8.280 nan 0.000 0.540 65 V N -2.733 117.224 119.914 0.071 0.000 3.548 65 V HA 0.420 4.541 4.120 0.001 0.000 0.279 65 V C 2.061 178.186 176.094 0.050 0.000 1.446 65 V CA 0.871 63.200 62.300 0.048 0.000 1.023 65 V CB 0.254 32.094 31.823 0.029 0.000 0.820 65 V HN 0.203 nan 8.190 nan 0.000 0.438 66 G N 1.259 110.109 108.800 0.083 0.000 2.469 66 G HA2 -0.236 3.725 3.960 0.001 0.000 0.220 66 G HA3 -0.236 3.725 3.960 0.001 0.000 0.220 66 G C 1.645 176.677 174.900 0.219 0.000 1.136 66 G CA 1.105 46.296 45.100 0.152 0.000 0.759 66 G HN 0.526 nan 8.290 nan 0.000 0.562 67 R N -0.641 119.986 120.500 0.211 0.000 2.317 67 R HA 0.242 4.583 4.340 0.001 0.000 0.208 67 R C 2.071 178.541 176.300 0.285 0.000 0.914 67 R CA -0.352 55.948 56.100 0.334 0.000 1.060 67 R CB -0.104 30.393 30.300 0.329 0.000 1.015 67 R HN 0.312 nan 8.270 nan 0.000 0.498 68 L N 2.001 123.301 121.223 0.129 0.000 2.012 68 L HA -0.095 4.246 4.340 0.001 0.000 0.210 68 L C -1.033 175.935 176.870 0.165 0.000 1.073 68 L CA 2.074 56.998 54.840 0.139 0.000 0.748 68 L CB -0.778 41.329 42.059 0.080 0.000 0.891 68 L HN -0.005 nan 8.230 nan 0.000 0.431 69 P HA -0.217 nan 4.420 nan 0.000 0.218 69 P C 1.420 178.769 177.300 0.083 0.000 1.148 69 P CA 1.581 64.550 63.100 -0.219 0.000 0.822 69 P CB -0.056 31.046 31.700 -0.997 0.000 0.784 70 K N -0.534 119.987 120.400 0.202 0.000 2.097 70 K HA -0.126 4.194 4.320 0.001 0.000 0.205 70 K C 1.922 178.793 176.600 0.452 0.000 1.050 70 K CA 0.832 57.356 56.287 0.394 0.000 0.938 70 K CB -0.651 32.131 32.500 0.470 0.000 0.718 70 K HN -0.030 nan 8.250 nan 0.000 0.442 71 L N 0.456 121.939 121.223 0.434 0.000 2.046 71 L HA -0.108 4.233 4.340 0.001 0.000 0.208 71 L C 1.784 178.709 176.870 0.092 0.000 1.077 71 L CA 1.689 56.604 54.840 0.125 0.000 0.747 71 L CB -0.375 41.569 42.059 -0.192 0.000 0.896 71 L HN 0.131 nan 8.230 nan 0.000 0.432 72 F N -0.623 119.397 119.950 0.116 0.000 2.206 72 F HA -0.068 4.460 4.527 0.001 0.000 0.298 72 F C 2.698 178.541 175.800 0.072 0.000 1.090 72 F CA 1.338 59.385 58.000 0.078 0.000 1.323 72 F CB -0.526 38.471 39.000 -0.004 0.000 1.028 72 F HN 0.029 nan 8.300 nan 0.000 0.492 73 R N 1.074 121.742 120.500 0.280 0.000 2.105 73 R HA -0.165 4.175 4.340 0.001 0.000 0.239 73 R C 1.130 177.525 176.300 0.158 0.000 1.135 73 R CA 1.756 57.979 56.100 0.205 0.000 0.967 73 R CB -0.322 30.112 30.300 0.224 0.000 0.861 73 R HN 0.316 nan 8.270 nan 0.000 0.442 74 E N -1.190 119.109 120.200 0.166 0.000 2.403 74 E HA 0.092 4.443 4.350 0.001 0.000 0.187 74 E C 0.566 177.209 176.600 0.071 0.000 1.073 74 E CA 0.344 56.816 56.400 0.120 0.000 0.888 74 E CB 0.683 30.476 29.700 0.156 0.000 1.035 74 E HN 0.690 nan 8.360 nan 0.000 0.471 75 G N 1.254 110.088 108.800 0.056 0.000 2.259 75 G HA2 -0.314 3.646 3.960 0.001 0.000 0.217 75 G HA3 -0.314 3.646 3.960 0.001 0.000 0.217 75 G C -0.024 174.843 174.900 -0.055 0.000 1.001 75 G CA -0.254 44.853 45.100 0.011 0.000 0.627 75 G HN 0.434 nan 8.290 nan 0.000 0.501 76 Y N 2.404 122.553 120.300 -0.252 0.000 2.620 76 Y HA 0.503 5.053 4.550 0.001 0.000 0.330 76 Y C 1.220 176.759 175.900 -0.601 0.000 1.186 76 Y CA 0.324 58.154 58.100 -0.450 0.000 1.467 76 Y CB 0.503 38.573 38.460 -0.651 0.000 1.262 76 Y HN 0.058 nan 8.280 nan 0.000 0.550 77 R N 4.517 124.352 120.500 -1.108 0.000 2.592 77 R HA 0.222 4.563 4.340 0.001 0.000 0.439 77 R C 0.238 176.091 176.300 -0.746 0.000 0.995 77 R CA 0.234 55.868 56.100 -0.776 0.000 1.141 77 R CB 0.622 30.769 30.300 -0.255 0.000 1.495 77 R HN 0.879 nan 8.270 nan 0.000 0.579 78 G N 1.866 109.713 108.800 -1.588 0.000 2.543 78 G HA2 0.400 4.361 3.960 0.001 0.000 0.290 78 G HA3 0.400 4.361 3.960 0.001 0.000 0.290 78 G C -2.439 172.412 174.900 -0.083 0.000 1.310 78 G CA -0.889 43.801 45.100 -0.683 0.000 1.025 78 G HN -0.118 nan 8.290 nan 0.000 0.502 79 P HA 0.351 nan 4.420 nan 0.000 0.276 79 P C -0.939 176.403 177.300 0.069 0.000 1.244 79 P CA -0.336 62.777 63.100 0.020 0.000 0.801 79 P CB 1.801 33.361 31.700 -0.233 0.000 1.006 80 V N 2.499 122.363 119.914 -0.083 0.000 2.447 80 V HA 0.270 4.391 4.120 0.001 0.000 0.292 80 V C -0.650 175.356 176.094 -0.146 0.000 1.021 80 V CA -0.491 61.827 62.300 0.030 0.000 0.850 80 V CB 0.624 32.557 31.823 0.183 0.000 1.005 80 V HN 0.397 nan 8.190 nan 0.000 0.426 81 Y N 2.797 123.174 120.300 0.128 0.000 2.334 81 Y HA 0.842 5.393 4.550 0.001 0.000 0.328 81 Y C 0.502 176.531 175.900 0.214 0.000 1.130 81 Y CA -0.249 57.918 58.100 0.112 0.000 1.163 81 Y CB 1.988 40.456 38.460 0.014 0.000 1.207 81 Y HN 0.810 nan 8.280 nan 0.000 0.471 82 A N 0.485 123.523 122.820 0.364 0.000 2.586 82 A HA 0.557 4.877 4.320 0.001 0.000 0.291 82 A C -0.369 177.296 177.584 0.135 0.000 1.062 82 A CA -0.723 51.477 52.037 0.272 0.000 0.666 82 A CB 0.182 19.228 19.000 0.078 0.000 1.281 82 A HN 0.726 nan 8.150 nan 0.000 0.421 83 T N -1.032 113.468 114.554 -0.090 0.000 2.795 83 T HA 0.299 4.650 4.350 0.001 0.000 0.314 83 T C 1.117 175.740 174.700 -0.128 0.000 1.069 83 T CA 0.544 62.559 62.100 -0.141 0.000 1.071 83 T CB 0.487 69.155 68.868 -0.334 0.000 0.988 83 T HN 0.902 nan 8.240 nan 0.000 0.543 84 R N 1.257 121.723 120.500 -0.056 0.000 2.096 84 R HA 0.044 4.385 4.340 0.001 0.000 0.235 84 R C 2.511 178.655 176.300 -0.259 0.000 1.127 84 R CA 1.895 57.951 56.100 -0.073 0.000 0.968 84 R CB -1.400 28.935 30.300 0.059 0.000 0.861 84 R HN 0.843 nan 8.270 nan 0.000 0.440 85 A N -0.844 121.587 122.820 -0.649 0.000 1.902 85 A HA -0.141 4.180 4.320 0.001 0.000 0.217 85 A C 2.213 179.522 177.584 -0.459 0.000 1.181 85 A CA 2.097 53.646 52.037 -0.814 0.000 0.623 85 A CB -1.055 16.965 19.000 -1.633 0.000 0.818 85 A HN 0.456 nan 8.150 nan 0.000 0.443 86 T N -0.432 113.887 114.554 -0.393 0.000 2.821 86 T HA -0.091 4.260 4.350 0.001 0.000 0.267 86 T C 1.869 176.475 174.700 -0.157 0.000 1.046 86 T CA 1.441 63.394 62.100 -0.244 0.000 1.139 86 T CB -0.349 68.389 68.868 -0.217 0.000 0.871 86 T HN 0.157 nan 8.240 nan 0.000 0.454 87 V N 1.459 121.290 119.914 -0.139 0.000 2.343 87 V HA -0.120 4.001 4.120 0.001 0.000 0.247 87 V C 2.433 178.477 176.094 -0.083 0.000 1.051 87 V CA 1.519 63.767 62.300 -0.087 0.000 1.036 87 V CB -0.595 31.189 31.823 -0.066 0.000 0.654 87 V HN 0.437 nan 8.190 nan 0.000 0.451 88 L N -1.022 120.139 121.223 -0.103 0.000 2.072 88 L HA -0.118 4.222 4.340 0.001 0.000 0.205 88 L C 2.370 179.203 176.870 -0.062 0.000 1.079 88 L CA 1.310 56.105 54.840 -0.075 0.000 0.752 88 L CB -0.460 41.552 42.059 -0.080 0.000 0.906 88 L HN 0.275 nan 8.230 nan 0.000 0.436 89 L N -1.034 120.137 121.223 -0.086 0.000 2.083 89 L HA -0.222 4.118 4.340 0.001 0.000 0.209 89 L C 2.682 179.533 176.870 -0.031 0.000 1.083 89 L CA 1.150 55.959 54.840 -0.053 0.000 0.752 89 L CB -0.335 41.676 42.059 -0.081 0.000 0.899 89 L HN 0.304 nan 8.230 nan 0.000 0.433 90 M N -0.549 119.024 119.600 -0.045 0.000 2.073 90 M HA -0.297 4.183 4.480 0.001 0.000 0.258 90 M C 2.286 178.576 176.300 -0.017 0.000 1.070 90 M CA 1.966 57.249 55.300 -0.028 0.000 1.103 90 M CB -0.478 32.097 32.600 -0.041 0.000 1.321 90 M HN 0.267 nan 8.290 nan 0.000 0.405 91 E N 0.965 121.150 120.200 -0.025 0.000 2.049 91 E HA -0.244 4.106 4.350 0.001 0.000 0.198 91 E C 1.788 178.389 176.600 0.001 0.000 1.007 91 E CA 1.791 58.180 56.400 -0.018 0.000 0.809 91 E CB -0.176 29.512 29.700 -0.021 0.000 0.749 91 E HN 0.510 nan 8.360 nan 0.000 0.450 92 I N 0.414 120.987 120.570 0.006 0.000 2.127 92 I HA -0.288 3.883 4.170 0.001 0.000 0.241 92 I C 2.513 178.651 176.117 0.035 0.000 1.075 92 I CA 0.957 62.269 61.300 0.019 0.000 1.334 92 I CB -0.348 37.663 38.000 0.019 0.000 1.040 92 I HN 0.094 nan 8.210 nan 0.000 0.405 93 V N 1.141 121.079 119.914 0.039 0.000 2.287 93 V HA -0.291 3.829 4.120 0.001 0.000 0.248 93 V C 2.392 178.527 176.094 0.068 0.000 1.053 93 V CA 1.866 64.203 62.300 0.062 0.000 1.027 93 V CB -0.523 31.340 31.823 0.067 0.000 0.646 93 V HN 0.369 nan 8.190 nan 0.000 0.447 94 L N -0.559 120.692 121.223 0.046 0.000 2.056 94 L HA -0.107 4.234 4.340 0.001 0.000 0.207 94 L C 2.754 179.677 176.870 0.089 0.000 1.078 94 L CA 1.238 56.110 54.840 0.054 0.000 0.749 94 L CB -0.641 41.410 42.059 -0.014 0.000 0.901 94 L HN 0.339 nan 8.230 nan 0.000 0.433 95 E N -0.041 120.194 120.200 0.058 0.000 2.077 95 E HA -0.257 4.093 4.350 0.001 0.000 0.193 95 E C 1.726 178.364 176.600 0.064 0.000 0.989 95 E CA 1.234 57.669 56.400 0.059 0.000 0.800 95 E CB -0.343 29.378 29.700 0.035 0.000 0.746 95 E HN 0.500 nan 8.360 nan 0.000 0.452 96 D N 0.690 121.128 120.400 0.063 0.000 2.117 96 D HA -0.120 4.520 4.640 0.001 0.000 0.197 96 D C 1.859 178.203 176.300 0.074 0.000 0.987 96 D CA 1.318 55.356 54.000 0.063 0.000 0.829 96 D CB 0.212 41.053 40.800 0.068 0.000 0.961 96 D HN 0.054 nan 8.370 nan 0.000 0.460 97 A N 1.097 123.978 122.820 0.101 0.000 1.883 97 A HA -0.175 4.146 4.320 0.001 0.000 0.217 97 A C 2.294 179.913 177.584 0.058 0.000 1.186 97 A CA 1.455 53.562 52.037 0.117 0.000 0.624 97 A CB -0.947 18.171 19.000 0.196 0.000 0.822 97 A HN 0.379 nan 8.150 nan 0.000 0.444 98 L N 0.048 121.319 121.223 0.081 0.000 1.989 98 L HA -0.199 4.142 4.340 0.001 0.000 0.211 98 L C 2.351 179.186 176.870 -0.059 0.000 1.071 98 L CA 2.871 57.692 54.840 -0.032 0.000 0.749 98 L CB -0.636 41.473 42.059 0.083 0.000 0.890 98 L HN 0.488 nan 8.230 nan 0.000 0.431 99 K N -1.035 119.363 120.400 -0.003 0.000 2.009 99 K HA -0.156 4.165 4.320 0.001 0.000 0.210 99 K C 1.866 178.463 176.600 -0.005 0.000 1.049 99 K CA 2.087 58.373 56.287 -0.003 0.000 0.929 99 K CB -0.235 32.276 32.500 0.018 0.000 0.714 99 K HN 0.301 nan 8.250 nan 0.000 0.440 100 V N 1.591 121.512 119.914 0.012 0.000 2.594 100 V HA -0.168 3.952 4.120 0.001 0.000 0.253 100 V C 1.403 177.500 176.094 0.006 0.000 1.069 100 V CA 1.183 63.497 62.300 0.023 0.000 1.082 100 V CB -0.410 31.443 31.823 0.050 0.000 0.680 100 V HN 0.356 nan 8.190 nan 0.000 0.469 101 M N 0.606 120.187 119.600 -0.033 0.000 2.120 101 M HA 0.160 4.640 4.480 0.001 0.000 0.354 101 M C 0.620 176.877 176.300 -0.072 0.000 1.287 101 M CA 0.060 55.325 55.300 -0.058 0.000 1.103 101 M CB 0.897 33.411 32.600 -0.144 0.000 1.623 101 M HN 0.129 nan 8.290 nan 0.000 0.471 102 D N 1.840 122.218 120.400 -0.037 0.000 2.305 102 D HA -0.023 4.618 4.640 0.001 0.000 0.206 102 D C 0.056 176.326 176.300 -0.050 0.000 0.974 102 D CA 1.074 55.051 54.000 -0.038 0.000 0.871 102 D CB 0.653 41.444 40.800 -0.015 0.000 0.947 102 D HN 0.566 nan 8.370 nan 0.000 0.516 103 E N 1.795 121.971 120.200 -0.040 0.000 3.588 103 E HA 0.222 4.573 4.350 0.001 0.000 0.213 103 E C -2.281 174.301 176.600 -0.031 0.000 1.168 103 E CA -1.535 54.842 56.400 -0.039 0.000 1.254 103 E CB 0.737 30.427 29.700 -0.017 0.000 1.302 103 E HN 0.228 nan 8.360 nan 0.000 0.429 104 P HA 0.086 nan 4.420 nan 0.000 0.271 104 P C 0.228 177.386 177.300 -0.236 0.000 1.216 104 P CA -0.380 62.486 63.100 -0.389 0.000 0.776 104 P CB 0.376 31.678 31.700 -0.663 0.000 0.881 105 F N 1.072 120.969 119.950 -0.088 0.000 2.693 105 F HA 0.398 4.926 4.527 0.001 0.000 0.303 105 F C 0.060 175.985 175.800 0.208 0.000 1.143 105 F CA -1.038 57.047 58.000 0.142 0.000 1.389 105 F CB -0.759 38.438 39.000 0.329 0.000 1.060 105 F HN 0.123 nan 8.300 nan 0.000 0.535 106 F N -1.704 118.151 119.950 -0.158 0.000 2.741 106 F HA 0.860 5.388 4.527 0.001 0.000 0.311 106 F C -0.238 175.507 175.800 -0.092 0.000 1.149 106 F CA -1.872 56.073 58.000 -0.091 0.000 0.930 106 F CB 0.648 39.573 39.000 -0.125 0.000 1.312 106 F HN 0.000 nan 8.300 nan 0.000 0.450 107 G N -0.101 108.830 108.800 0.218 0.000 2.601 107 G HA2 0.625 4.585 3.960 0.001 0.000 0.317 107 G HA3 0.625 4.585 3.960 0.001 0.000 0.317 107 G C -2.368 172.642 174.900 0.183 0.000 1.246 107 G CA -1.942 43.223 45.100 0.108 0.000 1.012 107 G HN 0.490 nan 8.290 nan 0.000 0.494 108 P HA -0.117 nan 4.420 nan 0.000 0.218 108 P C 1.350 178.691 177.300 0.068 0.000 1.149 108 P CA 1.295 64.446 63.100 0.085 0.000 0.817 108 P CB 0.237 31.963 31.700 0.043 0.000 0.785 109 E N 0.763 121.002 120.200 0.065 0.000 2.150 109 E HA -0.184 4.167 4.350 0.001 0.000 0.193 109 E C 1.284 177.912 176.600 0.046 0.000 0.985 109 E CA 1.179 57.608 56.400 0.049 0.000 0.814 109 E CB -1.238 28.493 29.700 0.053 0.000 0.752 109 E HN 0.228 nan 8.360 nan 0.000 0.466 110 D N 1.140 121.589 120.400 0.081 0.000 2.178 110 D HA -0.067 4.574 4.640 0.001 0.000 0.202 110 D C 2.214 178.479 176.300 -0.058 0.000 0.974 110 D CA 0.934 54.972 54.000 0.064 0.000 0.841 110 D CB 0.045 40.930 40.800 0.142 0.000 0.953 110 D HN 0.119 nan 8.370 nan 0.000 0.478 111 V N 2.027 121.920 119.914 -0.035 0.000 2.323 111 V HA -0.211 3.910 4.120 0.001 0.000 0.244 111 V C 2.555 178.577 176.094 -0.121 0.000 1.041 111 V CA 1.898 64.135 62.300 -0.106 0.000 1.025 111 V CB -0.608 31.214 31.823 -0.002 0.000 0.656 111 V HN 0.316 nan 8.190 nan 0.000 0.451 112 E N 0.669 120.831 120.200 -0.064 0.000 2.153 112 E HA -0.308 4.043 4.350 0.001 0.000 0.194 112 E C 1.994 178.534 176.600 -0.100 0.000 0.988 112 E CA 1.656 58.018 56.400 -0.063 0.000 0.811 112 E CB -0.290 29.397 29.700 -0.023 0.000 0.746 112 E HN 0.595 nan 8.360 nan 0.000 0.466 113 E N 1.426 121.553 120.200 -0.122 0.000 2.072 113 E HA -0.110 4.240 4.350 0.001 0.000 0.191 113 E C 1.995 178.262 176.600 -0.555 0.000 0.985 113 E CA 1.636 57.941 56.400 -0.158 0.000 0.801 113 E CB -0.340 29.322 29.700 -0.062 0.000 0.750 113 E HN 0.375 nan 8.360 nan 0.000 0.452 114 A N 0.596 122.929 122.820 -0.812 0.000 1.845 114 A HA -0.149 4.172 4.320 0.001 0.000 0.215 114 A C 2.303 179.561 177.584 -0.545 0.000 1.195 114 A CA 1.601 52.925 52.037 -1.189 0.000 0.616 114 A CB -0.936 17.685 19.000 -0.632 0.000 0.832 114 A HN 0.335 nan 8.150 nan 0.000 0.443 115 L N -0.526 120.523 121.223 -0.291 0.000 2.191 115 L HA -0.131 4.210 4.340 0.001 0.000 0.212 115 L C 2.638 179.441 176.870 -0.112 0.000 1.103 115 L CA 0.884 55.632 54.840 -0.154 0.000 0.769 115 L CB -0.689 41.306 42.059 -0.108 0.000 0.908 115 L HN 0.519 nan 8.230 nan 0.000 0.438 116 G N -1.637 107.101 108.800 -0.102 0.000 2.534 116 G HA2 -0.197 3.763 3.960 0.001 0.000 0.217 116 G HA3 -0.197 3.763 3.960 0.001 0.000 0.217 116 G C 0.873 175.707 174.900 -0.110 0.000 1.128 116 G CA 0.240 45.297 45.100 -0.072 0.000 0.784 116 G HN 0.435 nan 8.290 nan 0.000 0.542 117 H N -0.644 118.340 119.070 -0.144 0.000 2.520 117 H HA 0.372 4.929 4.556 0.001 0.000 0.284 117 H C 0.546 175.836 175.328 -0.063 0.000 1.037 117 H CA -0.518 55.505 56.048 -0.041 0.000 1.168 117 H CB 0.168 30.026 29.762 0.161 0.000 1.497 117 H HN 0.135 nan 8.280 nan 0.000 0.547 118 L N 1.485 122.702 121.223 -0.011 0.000 2.410 118 L HA 0.283 4.624 4.340 0.001 0.000 0.273 118 L C 0.202 177.019 176.870 -0.088 0.000 1.152 118 L CA 0.230 55.043 54.840 -0.045 0.000 0.855 118 L CB 0.675 42.710 42.059 -0.041 0.000 1.129 118 L HN 0.140 nan 8.230 nan 0.000 0.463 119 R N 4.475 124.891 120.500 -0.139 0.000 2.561 119 R HA 0.414 4.755 4.340 0.001 0.000 0.297 119 R C -2.506 173.814 176.300 0.033 0.000 0.969 119 R CA -1.747 54.288 56.100 -0.109 0.000 0.879 119 R CB 2.108 32.235 30.300 -0.289 0.000 1.178 119 R HN 0.362 nan 8.270 nan 0.000 0.445 120 P HA 0.098 nan 4.420 nan 0.000 0.275 120 P C -1.172 176.221 177.300 0.156 0.000 1.227 120 P CA -0.312 62.846 63.100 0.096 0.000 0.781 120 P CB 1.138 32.871 31.700 0.055 0.000 0.906 121 L N 2.671 123.990 121.223 0.160 0.000 2.528 121 L HA 0.393 4.734 4.340 0.001 0.000 0.267 121 L C -0.600 176.337 176.870 0.113 0.000 0.961 121 L CA -0.293 54.612 54.840 0.109 0.000 0.866 121 L CB 1.666 43.759 42.059 0.056 0.000 1.248 121 L HN 0.200 nan 8.230 nan 0.000 0.404 122 E N 2.724 122.926 120.200 0.003 0.000 2.254 122 E HA 0.322 4.672 4.350 0.001 0.000 0.258 122 E C -1.059 175.472 176.600 -0.116 0.000 1.033 122 E CA -0.636 55.707 56.400 -0.096 0.000 0.893 122 E CB 0.526 30.198 29.700 -0.047 0.000 1.204 122 E HN 0.410 nan 8.360 nan 0.000 0.425 123 Y N 0.287 120.597 120.300 0.017 0.000 2.805 123 Y HA 0.180 4.731 4.550 0.001 0.000 0.331 123 Y C 1.771 177.598 175.900 -0.121 0.000 1.241 123 Y CA 1.592 59.654 58.100 -0.063 0.000 1.546 123 Y CB -0.222 38.177 38.460 -0.101 0.000 1.248 123 Y HN 0.783 nan 8.280 nan 0.000 0.559 124 G N 1.684 110.436 108.800 -0.079 0.000 2.179 124 G HA2 -0.282 3.678 3.960 0.001 0.000 0.260 124 G HA3 -0.282 3.678 3.960 0.001 0.000 0.260 124 G C 0.004 174.732 174.900 -0.287 0.000 0.977 124 G CA 0.045 45.035 45.100 -0.183 0.000 0.641 124 G HN 0.599 nan 8.290 nan 0.000 0.533 125 E N -0.658 119.379 120.200 -0.272 0.000 2.283 125 E HA 0.433 4.783 4.350 0.001 0.000 0.278 125 E C -0.490 175.878 176.600 -0.387 0.000 1.027 125 E CA -0.653 55.630 56.400 -0.194 0.000 0.843 125 E CB 0.662 30.297 29.700 -0.108 0.000 1.062 125 E HN 0.359 nan 8.360 nan 0.000 0.401 126 W N 3.034 124.278 121.300 -0.092 0.000 2.433 126 W HA 0.336 4.997 4.660 0.001 0.000 0.315 126 W C -0.516 175.908 176.519 -0.159 0.000 1.087 126 W CA -0.623 56.649 57.345 -0.121 0.000 1.205 126 W CB 0.690 30.102 29.460 -0.080 0.000 1.288 126 W HN 0.313 nan 8.180 nan 0.000 0.504 127 L N 4.653 125.853 121.223 -0.038 0.000 2.317 127 L HA 0.595 4.936 4.340 0.001 0.000 0.281 127 L C -0.435 176.403 176.870 -0.054 0.000 1.024 127 L CA -0.960 53.783 54.840 -0.161 0.000 0.810 127 L CB 0.839 42.623 42.059 -0.458 0.000 1.240 127 L HN 0.363 nan 8.230 nan 0.000 0.427 128 R N 6.096 126.569 120.500 -0.045 0.000 2.494 128 R HA 0.679 5.019 4.340 0.001 0.000 0.305 128 R C -1.577 174.707 176.300 -0.025 0.000 0.959 128 R CA -0.743 55.348 56.100 -0.014 0.000 0.864 128 R CB 1.568 31.869 30.300 0.001 0.000 1.159 128 R HN 0.621 nan 8.270 nan 0.000 0.446 129 L N 2.503 123.717 121.223 -0.016 0.000 2.446 129 L HA 0.402 4.743 4.340 0.001 0.000 0.268 129 L C 0.836 177.707 176.870 0.002 0.000 0.975 129 L CA -0.559 54.279 54.840 -0.003 0.000 0.848 129 L CB 1.798 43.856 42.059 -0.002 0.000 1.225 129 L HN 0.968 nan 8.230 nan 0.000 0.410 130 G N 2.889 111.692 108.800 0.004 0.000 2.583 130 G HA2 -0.339 3.622 3.960 0.001 0.000 0.292 130 G HA3 -0.339 3.622 3.960 0.001 0.000 0.292 130 G C 0.607 175.505 174.900 -0.003 0.000 1.203 130 G CA 0.469 45.571 45.100 0.002 0.000 0.987 130 G HN 0.925 nan 8.290 nan 0.000 0.554 131 A N -0.676 122.142 122.820 -0.004 0.000 2.370 131 A HA 0.646 4.966 4.320 0.001 0.000 0.238 131 A C 0.627 178.208 177.584 -0.005 0.000 1.289 131 A CA 1.191 53.223 52.037 -0.009 0.000 0.885 131 A CB -0.112 18.882 19.000 -0.009 0.000 0.961 131 A HN 1.577 nan 8.150 nan 0.000 0.499 132 L N -0.048 121.176 121.223 0.001 0.000 2.322 132 L HA 0.673 5.013 4.340 0.001 0.000 0.279 132 L C -0.484 176.402 176.870 0.026 0.000 1.036 132 L CA 0.064 54.912 54.840 0.013 0.000 0.807 132 L CB 1.968 44.033 42.059 0.010 0.000 1.226 132 L HN -0.005 nan 8.230 nan 0.000 0.433 133 S N 5.189 120.929 115.700 0.068 0.000 2.532 133 S HA 0.813 5.283 4.470 0.001 0.000 0.299 133 S C -0.938 173.818 174.600 0.260 0.000 1.105 133 S CA -0.480 57.816 58.200 0.160 0.000 1.018 133 S CB 1.283 64.555 63.200 0.119 0.000 1.021 133 S HN 0.506 nan 8.310 nan 0.000 0.483 134 L N 2.059 123.392 121.223 0.185 0.000 2.388 134 L HA 0.978 5.319 4.340 0.001 0.000 0.264 134 L C -0.340 176.319 176.870 -0.353 0.000 0.998 134 L CA -0.606 54.215 54.840 -0.032 0.000 0.817 134 L CB 2.005 43.968 42.059 -0.160 0.000 1.338 134 L HN 0.764 nan 8.230 nan 0.000 0.414 135 A N 1.185 123.643 122.820 -0.605 0.000 2.574 135 A HA 0.820 5.140 4.320 0.001 0.000 0.297 135 A C -1.619 175.648 177.584 -0.528 0.000 1.062 135 A CA -0.421 51.070 52.037 -0.909 0.000 0.686 135 A CB 1.093 18.990 19.000 -1.838 0.000 1.285 135 A HN 0.346 nan 8.150 nan 0.000 0.403 136 F N 0.902 120.601 119.950 -0.418 0.000 2.385 136 F HA 0.631 5.158 4.527 0.001 0.000 0.336 136 F C 1.109 176.661 175.800 -0.413 0.000 1.100 136 F CA -0.240 57.553 58.000 -0.346 0.000 1.116 136 F CB 1.881 40.688 39.000 -0.322 0.000 1.166 136 F HN 0.731 nan 8.300 nan 0.000 0.511 137 G N 0.973 109.437 108.800 -0.559 0.000 2.537 137 G HA2 0.454 4.415 3.960 0.001 0.000 0.308 137 G HA3 0.454 4.415 3.960 0.001 0.000 0.308 137 G C -1.490 172.978 174.900 -0.720 0.000 1.237 137 G CA -0.732 43.732 45.100 -1.061 0.000 0.968 137 G HN 0.436 nan 8.290 nan 0.000 0.481 138 Q N 0.188 119.738 119.800 -0.417 0.000 2.286 138 Q HA 0.513 4.853 4.340 0.001 0.000 0.265 138 Q C 0.823 176.837 176.000 0.025 0.000 1.080 138 Q CA 0.550 56.162 55.803 -0.318 0.000 0.906 138 Q CB 1.118 29.602 28.738 -0.422 0.000 1.227 138 Q HN 0.556 nan 8.270 nan 0.000 0.409 139 A N 3.647 126.480 122.820 0.022 0.000 2.095 139 A HA 0.348 4.669 4.320 0.001 0.000 0.212 139 A C 1.408 178.950 177.584 -0.071 0.000 1.162 139 A CA 0.507 52.567 52.037 0.039 0.000 0.753 139 A CB -0.530 18.445 19.000 -0.043 0.000 0.840 139 A HN 1.342 nan 8.150 nan 0.000 0.468 140 G N -0.967 107.777 108.800 -0.094 0.000 2.283 140 G HA2 -0.366 3.595 3.960 0.001 0.000 0.280 140 G HA3 -0.366 3.595 3.960 0.001 0.000 0.280 140 G C 0.545 175.379 174.900 -0.110 0.000 1.029 140 G CA 1.280 46.315 45.100 -0.109 0.000 0.840 140 G HN 0.829 nan 8.290 nan 0.000 0.505 141 H N -1.408 117.495 119.070 -0.278 0.000 2.506 141 H HA 0.656 5.213 4.556 0.001 0.000 0.289 141 H C 0.813 175.930 175.328 -0.351 0.000 1.009 141 H CA 1.259 57.088 56.048 -0.364 0.000 1.303 141 H CB 0.272 29.707 29.762 -0.544 0.000 1.453 141 H HN 0.477 nan 8.280 nan 0.000 0.526 142 L N 0.006 120.970 121.223 -0.432 0.000 2.540 142 L HA 0.436 4.777 4.340 0.001 0.000 0.256 142 L C -2.693 173.974 176.870 -0.339 0.000 1.001 142 L CA -2.421 52.150 54.840 -0.449 0.000 0.843 142 L CB 2.061 43.767 42.059 -0.589 0.000 1.436 142 L HN -0.110 nan 8.230 nan 0.000 0.410 143 P HA 0.271 nan 4.420 nan 0.000 0.263 143 P C 0.422 177.449 177.300 -0.456 0.000 1.195 143 P CA 1.242 64.038 63.100 -0.508 0.000 0.762 143 P CB 0.500 31.736 31.700 -0.773 0.000 0.799 144 G N 2.048 110.658 108.800 -0.317 0.000 2.179 144 G HA2 -0.246 3.714 3.960 0.001 0.000 0.260 144 G HA3 -0.246 3.714 3.960 0.001 0.000 0.260 144 G C 0.350 175.118 174.900 -0.220 0.000 0.977 144 G CA 0.257 45.153 45.100 -0.341 0.000 0.641 144 G HN 0.784 nan 8.290 nan 0.000 0.533 145 S N -0.259 115.353 115.700 -0.146 0.000 2.580 145 S HA 0.866 5.337 4.470 0.001 0.000 0.274 145 S C 0.270 174.815 174.600 -0.093 0.000 1.329 145 S CA 0.857 58.959 58.200 -0.165 0.000 1.036 145 S CB 2.212 65.276 63.200 -0.228 0.000 0.919 145 S HN 2.064 nan 8.310 nan 0.000 0.515 146 A N 1.503 124.199 122.820 -0.207 0.000 2.602 146 A HA 0.804 5.124 4.320 0.001 0.000 0.290 146 A C -0.889 176.640 177.584 -0.091 0.000 1.114 146 A CA -1.058 50.867 52.037 -0.186 0.000 0.683 146 A CB 0.776 19.450 19.000 -0.542 0.000 1.281 146 A HN 1.358 nan 8.150 nan 0.000 0.416 147 F N -0.813 119.138 119.950 0.001 0.000 2.575 147 F HA 0.866 5.394 4.527 0.001 0.000 0.330 147 F C -0.668 175.250 175.800 0.197 0.000 1.056 147 F CA -1.403 56.602 58.000 0.008 0.000 0.964 147 F CB 1.102 40.153 39.000 0.085 0.000 1.258 147 F HN 0.311 nan 8.300 nan 0.000 0.484 148 V N 2.272 122.493 119.914 0.511 0.000 2.513 148 V HA 0.599 4.720 4.120 0.001 0.000 0.299 148 V C -0.638 175.699 176.094 0.404 0.000 1.035 148 V CA -0.874 61.676 62.300 0.416 0.000 0.889 148 V CB 1.586 33.660 31.823 0.418 0.000 0.988 148 V HN 0.761 nan 8.190 nan 0.000 0.440 149 V N 3.544 123.597 119.914 0.232 0.000 2.409 149 V HA 0.823 4.944 4.120 0.001 0.000 0.291 149 V C 0.147 176.333 176.094 0.154 0.000 1.020 149 V CA -0.423 62.010 62.300 0.221 0.000 0.848 149 V CB 1.642 33.593 31.823 0.212 0.000 0.990 149 V HN 1.012 nan 8.190 nan 0.000 0.430 150 A N 4.460 127.381 122.820 0.169 0.000 2.330 150 A HA 0.815 5.135 4.320 0.001 0.000 0.313 150 A C -0.776 176.893 177.584 0.142 0.000 1.124 150 A CA -0.564 51.557 52.037 0.141 0.000 0.774 150 A CB 1.691 20.748 19.000 0.095 0.000 1.198 150 A HN 0.592 nan 8.150 nan 0.000 0.465 151 Q N 1.315 121.208 119.800 0.154 0.000 2.353 151 Q HA 0.720 5.060 4.340 0.001 0.000 0.268 151 Q C -0.566 175.462 176.000 0.048 0.000 1.045 151 Q CA -0.054 55.806 55.803 0.096 0.000 0.811 151 Q CB 2.064 30.855 28.738 0.090 0.000 1.305 151 Q HN 1.554 nan 8.270 nan 0.000 0.447 152 G N 1.705 110.518 108.800 0.023 0.000 2.404 152 G HA2 0.291 4.251 3.960 0.001 0.000 0.298 152 G HA3 0.291 4.251 3.960 0.001 0.000 0.298 152 G C -1.123 173.778 174.900 0.002 0.000 1.577 152 G CA -0.342 44.761 45.100 0.007 0.000 0.847 152 G HN 0.648 nan 8.290 nan 0.000 0.598 153 E N -0.939 119.258 120.200 -0.006 0.000 2.637 153 E HA -0.217 4.134 4.350 0.001 0.000 0.265 153 E C 1.456 178.052 176.600 -0.007 0.000 1.073 153 E CA 1.501 57.897 56.400 -0.006 0.000 0.778 153 E CB -1.240 28.458 29.700 -0.003 0.000 1.362 153 E HN 2.548 nan 8.360 nan 0.000 0.413 154 G N -0.160 108.634 108.800 -0.010 0.000 2.168 154 G HA2 -0.376 3.585 3.960 0.001 0.000 0.257 154 G HA3 -0.376 3.585 3.960 0.001 0.000 0.257 154 G C 0.138 175.035 174.900 -0.005 0.000 0.997 154 G CA 0.856 45.949 45.100 -0.011 0.000 0.708 154 G HN 0.184 nan 8.290 nan 0.000 0.520 155 R N -0.502 119.999 120.500 0.002 0.000 2.803 155 R HA 0.706 5.047 4.340 0.001 0.000 0.276 155 R C -0.847 175.466 176.300 0.021 0.000 0.978 155 R CA -0.420 55.685 56.100 0.008 0.000 0.939 155 R CB 1.747 32.051 30.300 0.007 0.000 1.179 155 R HN 0.118 nan 8.270 nan 0.000 0.472 156 T N 2.464 117.034 114.554 0.027 0.000 2.841 156 T HA 0.442 4.793 4.350 0.001 0.000 0.285 156 T C -0.981 173.748 174.700 0.050 0.000 0.991 156 T CA -0.569 61.560 62.100 0.049 0.000 0.966 156 T CB 1.296 70.194 68.868 0.049 0.000 0.962 156 T HN 0.343 nan 8.240 nan 0.000 0.438 157 L N 4.335 125.602 121.223 0.073 0.000 2.365 157 L HA 0.891 5.232 4.340 0.001 0.000 0.273 157 L C -1.428 175.517 176.870 0.125 0.000 1.000 157 L CA -0.573 54.313 54.840 0.077 0.000 0.819 157 L CB 1.730 43.829 42.059 0.066 0.000 1.284 157 L HN 0.436 nan 8.230 nan 0.000 0.418 158 V N 5.132 125.125 119.914 0.130 0.000 2.487 158 V HA 0.367 4.488 4.120 0.001 0.000 0.298 158 V C -1.228 175.031 176.094 0.275 0.000 1.028 158 V CA -0.469 61.949 62.300 0.198 0.000 0.860 158 V CB 1.524 33.401 31.823 0.090 0.000 0.991 158 V HN 0.739 nan 8.190 nan 0.000 0.427 159 Y N 3.927 124.346 120.300 0.197 0.000 2.334 159 Y HA 0.347 4.898 4.550 0.001 0.000 0.336 159 Y C 1.423 177.467 175.900 0.239 0.000 0.960 159 Y CA -0.259 57.934 58.100 0.155 0.000 1.164 159 Y CB 2.125 40.662 38.460 0.129 0.000 1.155 159 Y HN 0.748 nan 8.280 nan 0.000 0.478 160 S N 3.899 119.569 115.700 -0.051 0.000 2.453 160 S HA 0.199 4.669 4.470 0.001 0.000 0.231 160 S C 1.276 175.557 174.600 -0.531 0.000 1.005 160 S CA 0.613 58.642 58.200 -0.284 0.000 0.949 160 S CB -0.664 62.285 63.200 -0.418 0.000 0.774 160 S HN 1.447 nan 8.310 nan 0.000 0.510 161 G N 1.602 109.755 108.800 -1.077 0.000 2.566 161 G HA2 -0.223 3.738 3.960 0.001 0.000 0.280 161 G HA3 -0.223 3.738 3.960 0.001 0.000 0.280 161 G C -1.094 173.577 174.900 -0.383 0.000 1.225 161 G CA 0.270 44.959 45.100 -0.684 0.000 0.966 161 G HN 0.516 nan 8.290 nan 0.000 0.560 162 D N 0.665 120.819 120.400 -0.410 0.000 2.193 162 D HA 0.611 5.252 4.640 0.001 0.000 0.244 162 D C 0.380 176.278 176.300 -0.669 0.000 1.064 162 D CA -0.231 53.384 54.000 -0.641 0.000 0.845 162 D CB 1.338 41.487 40.800 -1.085 0.000 1.148 162 D HN 0.487 nan 8.370 nan 0.000 0.464 163 L N 1.543 122.437 121.223 -0.548 0.000 2.307 163 L HA 0.509 4.850 4.340 0.001 0.000 0.282 163 L C 1.328 178.015 176.870 -0.305 0.000 1.051 163 L CA -0.680 53.873 54.840 -0.478 0.000 0.804 163 L CB 1.467 43.150 42.059 -0.627 0.000 1.197 163 L HN 0.314 nan 8.230 nan 0.000 0.431 164 G N 1.134 109.821 108.800 -0.189 0.000 2.580 164 G HA2 0.055 4.015 3.960 0.001 0.000 0.278 164 G HA3 0.055 4.015 3.960 0.001 0.000 0.278 164 G C -0.419 174.446 174.900 -0.058 0.000 1.212 164 G CA -0.537 44.522 45.100 -0.068 0.000 0.939 164 G HN 0.775 nan 8.290 nan 0.000 0.513 165 N N -0.453 118.222 118.700 -0.042 0.000 2.521 165 N HA 0.084 4.825 4.740 0.001 0.000 0.236 165 N C 1.854 177.324 175.510 -0.067 0.000 1.067 165 N CA -0.528 52.505 53.050 -0.028 0.000 0.939 165 N CB 0.405 38.856 38.487 -0.060 0.000 1.201 165 N HN 0.605 nan 8.380 nan 0.000 0.511 166 R N 3.069 123.547 120.500 -0.038 0.000 2.170 166 R HA -0.167 4.174 4.340 0.001 0.000 0.242 166 R C 0.542 176.805 176.300 -0.062 0.000 1.145 166 R CA 1.386 57.462 56.100 -0.041 0.000 0.984 166 R CB -0.210 30.089 30.300 -0.001 0.000 0.869 166 R HN 0.616 nan 8.270 nan 0.000 0.455 167 E N 1.102 121.268 120.200 -0.058 0.000 2.268 167 E HA -0.056 4.295 4.350 0.001 0.000 0.195 167 E C 0.137 176.589 176.600 -0.247 0.000 0.995 167 E CA 0.666 57.035 56.400 -0.052 0.000 0.836 167 E CB 0.096 29.822 29.700 0.045 0.000 0.763 167 E HN 0.436 nan 8.360 nan 0.000 0.491 168 K N 0.896 121.011 120.400 -0.475 0.000 2.149 168 K HA 0.037 4.358 4.320 0.001 0.000 0.245 168 K C 0.271 176.598 176.600 -0.455 0.000 1.024 168 K CA -0.063 55.652 56.287 -0.953 0.000 0.899 168 K CB 0.482 32.559 32.500 -0.705 0.000 1.038 168 K HN -0.092 nan 8.250 nan 0.000 0.496 169 D N 0.068 120.259 120.400 -0.347 0.000 2.423 169 D HA -0.012 4.629 4.640 0.001 0.000 0.208 169 D C 1.650 177.902 176.300 -0.080 0.000 1.068 169 D CA 0.389 54.357 54.000 -0.053 0.000 0.860 169 D CB 0.254 41.169 40.800 0.191 0.000 0.992 169 D HN 0.106 nan 8.370 nan 0.000 0.504 170 V N 0.873 120.705 119.914 -0.137 0.000 2.453 170 V HA -0.030 4.090 4.120 0.001 0.000 0.247 170 V C 1.232 177.354 176.094 0.048 0.000 1.048 170 V CA 0.983 63.190 62.300 -0.156 0.000 1.049 170 V CB -0.092 31.694 31.823 -0.061 0.000 0.672 170 V HN 0.077 nan 8.190 nan 0.000 0.457 171 L N 1.074 122.300 121.223 0.006 0.000 2.334 171 L HA 0.456 4.797 4.340 0.001 0.000 0.270 171 L C -2.276 174.572 176.870 -0.037 0.000 1.018 171 L CA -1.988 52.851 54.840 -0.002 0.000 0.811 171 L CB 1.358 43.380 42.059 -0.063 0.000 1.271 171 L HN 0.009 nan 8.230 nan 0.000 0.443 172 P HA 0.065 nan 4.420 nan 0.000 0.274 172 P C -1.202 176.055 177.300 -0.072 0.000 1.237 172 P CA -0.467 62.591 63.100 -0.069 0.000 0.793 172 P CB 0.609 32.241 31.700 -0.115 0.000 0.977 173 D N 2.104 122.476 120.400 -0.047 0.000 2.423 173 D HA 0.127 4.768 4.640 0.001 0.000 0.238 173 D C -1.946 174.346 176.300 -0.012 0.000 1.142 173 D CA -0.525 53.460 54.000 -0.024 0.000 0.884 173 D CB -0.531 40.270 40.800 0.001 0.000 1.199 173 D HN 0.239 nan 8.370 nan 0.000 0.438 174 P HA 0.040 nan 4.420 nan 0.000 0.272 174 P C -0.335 177.084 177.300 0.197 0.000 1.223 174 P CA -0.251 62.902 63.100 0.089 0.000 0.784 174 P CB 0.661 32.389 31.700 0.045 0.000 0.923 175 S N 2.308 118.199 115.700 0.319 0.000 2.586 175 S HA 0.339 4.810 4.470 0.001 0.000 0.274 175 S C -0.035 174.842 174.600 0.461 0.000 1.281 175 S CA -0.671 57.727 58.200 0.328 0.000 1.035 175 S CB -0.165 63.215 63.200 0.300 0.000 0.962 175 S HN 0.236 nan 8.310 nan 0.000 0.512 176 L N 4.735 126.072 121.223 0.189 0.000 2.464 176 L HA 0.405 4.746 4.340 0.001 0.000 0.264 176 L C -1.618 175.115 176.870 -0.229 0.000 1.199 176 L CA -1.669 53.096 54.840 -0.126 0.000 0.818 176 L CB 0.469 42.441 42.059 -0.144 0.000 1.102 176 L HN 0.615 nan 8.230 nan 0.000 0.473 177 P HA 0.351 nan 4.420 nan 0.000 0.280 177 P C -2.720 174.396 177.300 -0.307 0.000 1.272 177 P CA -1.634 61.077 63.100 -0.649 0.000 0.819 177 P CB 0.545 31.442 31.700 -1.337 0.000 1.122 178 P HA 0.206 nan 4.420 nan 0.000 0.276 178 P C -0.346 176.891 177.300 -0.105 0.000 1.252 178 P CA -0.545 62.527 63.100 -0.048 0.000 0.802 178 P CB 0.502 32.240 31.700 0.064 0.000 1.035 179 L N 0.949 122.129 121.223 -0.073 0.000 2.499 179 L HA 0.402 4.743 4.340 0.001 0.000 0.273 179 L C -0.275 176.567 176.870 -0.047 0.000 1.195 179 L CA 0.331 55.126 54.840 -0.075 0.000 0.882 179 L CB -0.658 41.371 42.059 -0.051 0.000 1.133 179 L HN 0.583 nan 8.230 nan 0.000 0.483 180 A N 3.858 126.646 122.820 -0.053 0.000 2.454 180 A HA 0.463 4.784 4.320 0.001 0.000 0.302 180 A C 0.430 178.004 177.584 -0.017 0.000 1.079 180 A CA -0.530 51.494 52.037 -0.022 0.000 0.731 180 A CB 0.794 19.784 19.000 -0.016 0.000 1.299 180 A HN 0.788 nan 8.150 nan 0.000 0.413 181 D N -0.539 119.859 120.400 -0.003 0.000 2.219 181 D HA 0.037 4.678 4.640 0.001 0.000 0.205 181 D C -0.135 176.163 176.300 -0.004 0.000 0.970 181 D CA 1.570 55.568 54.000 -0.004 0.000 0.851 181 D CB 0.213 41.014 40.800 0.000 0.000 0.943 181 D HN 0.285 nan 8.370 nan 0.000 0.488 182 L N 0.005 121.230 121.223 0.003 0.000 2.549 182 L HA 0.295 4.636 4.340 0.001 0.000 0.259 182 L C -1.716 175.166 176.870 0.021 0.000 0.934 182 L CA -0.687 54.157 54.840 0.007 0.000 0.865 182 L CB 2.451 44.513 42.059 0.006 0.000 1.352 182 L HN -0.363 nan 8.230 nan 0.000 0.410 183 V N 5.088 125.018 119.914 0.027 0.000 2.444 183 V HA 0.478 4.598 4.120 0.001 0.000 0.294 183 V C -0.613 175.531 176.094 0.084 0.000 1.022 183 V CA -0.524 61.814 62.300 0.063 0.000 0.850 183 V CB 1.598 33.450 31.823 0.047 0.000 0.992 183 V HN 0.665 nan 8.190 nan 0.000 0.426 184 L N 5.597 126.890 121.223 0.117 0.000 2.259 184 L HA 0.818 5.159 4.340 0.001 0.000 0.288 184 L C 0.268 177.246 176.870 0.179 0.000 1.051 184 L CA 0.318 55.210 54.840 0.087 0.000 0.824 184 L CB 0.595 42.651 42.059 -0.004 0.000 1.206 184 L HN 0.772 nan 8.230 nan 0.000 0.429 185 A N 4.089 126.985 122.820 0.126 0.000 2.374 185 A HA 0.710 5.031 4.320 0.001 0.000 0.317 185 A C -0.702 176.928 177.584 0.077 0.000 1.094 185 A CA -0.722 51.382 52.037 0.111 0.000 0.765 185 A CB 0.973 20.057 19.000 0.141 0.000 1.268 185 A HN 0.757 nan 8.150 nan 0.000 0.438 186 E N 0.418 120.625 120.200 0.013 0.000 2.373 186 E HA 0.531 4.882 4.350 0.001 0.000 0.263 186 E C 0.397 177.007 176.600 0.017 0.000 1.073 186 E CA -0.074 56.339 56.400 0.022 0.000 0.894 186 E CB 0.995 30.601 29.700 -0.157 0.000 1.008 186 E HN 0.697 nan 8.360 nan 0.000 0.420 187 G N 1.562 110.393 108.800 0.052 0.000 4.921 187 G HA2 0.063 4.023 3.960 0.001 0.000 0.248 187 G HA3 0.063 4.023 3.960 0.001 0.000 0.248 187 G C 0.485 175.381 174.900 -0.006 0.000 1.026 187 G CA -0.134 44.983 45.100 0.027 0.000 0.825 187 G HN 0.505 nan 8.290 nan 0.000 0.538 188 T N 0.263 114.803 114.554 -0.023 0.000 2.653 188 T HA -0.223 4.127 4.350 0.001 0.000 0.268 188 T C 1.076 175.564 174.700 -0.353 0.000 1.035 188 T CA 1.393 63.371 62.100 -0.203 0.000 1.154 188 T CB -0.207 68.404 68.868 -0.429 0.000 0.862 188 T HN 0.373 nan 8.240 nan 0.000 0.441 189 Y N 0.873 121.114 120.300 -0.099 0.000 2.833 189 Y HA 0.478 5.028 4.550 0.001 0.000 0.339 189 Y C 1.808 177.665 175.900 -0.072 0.000 1.032 189 Y CA -1.046 57.003 58.100 -0.084 0.000 1.450 189 Y CB -0.129 38.268 38.460 -0.105 0.000 1.296 189 Y HN 0.203 nan 8.280 nan 0.000 0.535 190 G N 0.104 108.915 108.800 0.018 0.000 2.527 190 G HA2 -0.259 3.701 3.960 0.001 0.000 0.219 190 G HA3 -0.259 3.701 3.960 0.001 0.000 0.219 190 G C 1.293 176.204 174.900 0.019 0.000 1.117 190 G CA 1.309 46.421 45.100 0.020 0.000 0.759 190 G HN 0.518 nan 8.290 nan 0.000 0.556 191 D N -0.377 120.035 120.400 0.019 0.000 2.366 191 D HA 0.039 4.680 4.640 0.001 0.000 0.205 191 D C 1.147 177.470 176.300 0.039 0.000 1.022 191 D CA -0.042 53.973 54.000 0.024 0.000 0.868 191 D CB 0.163 40.974 40.800 0.017 0.000 0.953 191 D HN 0.557 nan 8.370 nan 0.000 0.514 192 R N -0.985 119.546 120.500 0.052 0.000 2.690 192 R HA 0.489 4.830 4.340 0.001 0.000 0.269 192 R C -3.370 172.900 176.300 -0.049 0.000 1.037 192 R CA -1.405 54.713 56.100 0.031 0.000 0.877 192 R CB 1.104 31.445 30.300 0.069 0.000 1.255 192 R HN -0.217 nan 8.270 nan 0.000 0.467 193 P HA 0.282 nan 4.420 nan 0.000 0.281 193 P C -0.891 176.292 177.300 -0.194 0.000 1.281 193 P CA -0.394 62.608 63.100 -0.163 0.000 0.811 193 P CB 0.884 32.555 31.700 -0.048 0.000 1.154 194 H N -0.437 118.625 119.070 -0.014 0.000 2.517 194 H HA 0.318 4.875 4.556 0.001 0.000 0.346 194 H C 0.551 175.885 175.328 0.009 0.000 1.222 194 H CA -0.428 55.606 56.048 -0.023 0.000 1.314 194 H CB 0.843 30.558 29.762 -0.079 0.000 1.609 194 H HN 0.394 nan 8.280 nan 0.000 0.571 195 R N 1.406 122.004 120.500 0.165 0.000 2.590 195 R HA 0.120 4.461 4.340 0.001 0.000 0.274 195 R C -2.379 173.966 176.300 0.075 0.000 1.061 195 R CA -1.154 55.000 56.100 0.090 0.000 1.081 195 R CB -0.041 30.300 30.300 0.068 0.000 0.984 195 R HN 0.311 nan 8.270 nan 0.000 0.448 196 P HA -0.117 nan 4.420 nan 0.000 0.265 196 P C -0.629 176.690 177.300 0.032 0.000 1.187 196 P CA 0.421 63.555 63.100 0.056 0.000 0.766 196 P CB 0.278 32.001 31.700 0.038 0.000 0.820 197 Y N 4.177 124.435 120.300 -0.070 0.000 2.145 197 Y HA -0.249 4.301 4.550 0.001 0.000 0.286 197 Y C 2.287 178.114 175.900 -0.122 0.000 1.145 197 Y CA 1.493 59.509 58.100 -0.139 0.000 1.148 197 Y CB -0.005 38.394 38.460 -0.101 0.000 0.981 197 Y HN 0.226 nan 8.280 nan 0.000 0.507 198 R N 0.139 120.596 120.500 -0.072 0.000 2.091 198 R HA -0.247 4.093 4.340 0.001 0.000 0.238 198 R C 2.325 178.519 176.300 -0.176 0.000 1.136 198 R CA 1.949 57.971 56.100 -0.130 0.000 0.959 198 R CB -0.450 29.853 30.300 0.005 0.000 0.856 198 R HN 0.525 nan 8.270 nan 0.000 0.437 199 E N -0.079 120.051 120.200 -0.116 0.000 2.110 199 E HA -0.151 4.200 4.350 0.001 0.000 0.193 199 E C 1.423 177.936 176.600 -0.146 0.000 0.988 199 E CA 1.586 57.929 56.400 -0.094 0.000 0.804 199 E CB 0.131 29.805 29.700 -0.043 0.000 0.745 199 E HN 0.209 nan 8.360 nan 0.000 0.458 200 T N 0.353 114.762 114.554 -0.240 0.000 2.708 200 T HA -0.119 4.232 4.350 0.001 0.000 0.266 200 T C 1.909 176.396 174.700 -0.354 0.000 1.037 200 T CA 1.306 63.217 62.100 -0.316 0.000 1.146 200 T CB -0.177 68.390 68.868 -0.502 0.000 0.865 200 T HN 0.036 nan 8.240 nan 0.000 0.435 201 V N 1.545 121.143 119.914 -0.527 0.000 2.343 201 V HA -0.191 3.930 4.120 0.001 0.000 0.247 201 V C 2.649 178.664 176.094 -0.131 0.000 1.051 201 V CA 1.623 63.720 62.300 -0.338 0.000 1.036 201 V CB -0.575 30.984 31.823 -0.441 0.000 0.654 201 V HN 0.392 nan 8.190 nan 0.000 0.451 202 R N -0.260 120.148 120.500 -0.154 0.000 2.073 202 R HA -0.222 4.118 4.340 0.001 0.000 0.234 202 R C 2.409 178.669 176.300 -0.067 0.000 1.134 202 R CA 1.896 57.930 56.100 -0.109 0.000 0.952 202 R CB -0.348 29.901 30.300 -0.084 0.000 0.850 202 R HN 0.645 nan 8.270 nan 0.000 0.433 203 E N 0.243 120.421 120.200 -0.038 0.000 2.077 203 E HA -0.220 4.130 4.350 0.001 0.000 0.193 203 E C 1.762 178.370 176.600 0.014 0.000 0.989 203 E CA 1.101 57.494 56.400 -0.011 0.000 0.800 203 E CB -0.148 29.563 29.700 0.018 0.000 0.746 203 E HN 0.282 nan 8.360 nan 0.000 0.452 204 F N 1.117 121.024 119.950 -0.070 0.000 2.069 204 F HA -0.229 4.299 4.527 0.001 0.000 0.298 204 F C 1.956 177.705 175.800 -0.084 0.000 1.113 204 F CA 1.465 59.453 58.000 -0.020 0.000 1.214 204 F CB -0.075 39.011 39.000 0.145 0.000 0.978 204 F HN 0.007 nan 8.300 nan 0.000 0.474 205 L N 0.226 121.362 121.223 -0.145 0.000 2.083 205 L HA -0.231 4.110 4.340 0.001 0.000 0.209 205 L C 2.467 179.179 176.870 -0.263 0.000 1.083 205 L CA 1.892 56.561 54.840 -0.285 0.000 0.752 205 L CB -0.868 41.047 42.059 -0.240 0.000 0.899 205 L HN 0.312 nan 8.230 nan 0.000 0.433 206 E N 0.920 121.007 120.200 -0.188 0.000 2.106 206 E HA -0.215 4.136 4.350 0.001 0.000 0.192 206 E C 2.287 178.770 176.600 -0.195 0.000 0.984 206 E CA 1.108 57.414 56.400 -0.156 0.000 0.806 206 E CB -0.013 29.624 29.700 -0.105 0.000 0.750 206 E HN 0.480 nan 8.360 nan 0.000 0.458 207 I N 0.392 120.804 120.570 -0.263 0.000 2.252 207 I HA -0.250 3.920 4.170 0.001 0.000 0.245 207 I C 2.121 178.055 176.117 -0.304 0.000 1.102 207 I CA 0.553 61.659 61.300 -0.324 0.000 1.385 207 I CB -0.113 37.608 38.000 -0.465 0.000 1.064 207 I HN 0.195 nan 8.210 nan 0.000 0.414 208 L N 0.434 121.415 121.223 -0.403 0.000 2.072 208 L HA -0.157 4.184 4.340 0.001 0.000 0.205 208 L C 2.420 179.149 176.870 -0.236 0.000 1.079 208 L CA 1.707 56.329 54.840 -0.364 0.000 0.752 208 L CB -0.699 41.048 42.059 -0.520 0.000 0.906 208 L HN 0.187 nan 8.230 nan 0.000 0.436 209 E N -0.502 119.569 120.200 -0.215 0.000 2.051 209 E HA -0.285 4.066 4.350 0.001 0.000 0.192 209 E C 2.118 178.649 176.600 -0.115 0.000 0.991 209 E CA 1.379 57.688 56.400 -0.151 0.000 0.799 209 E CB -0.137 29.483 29.700 -0.134 0.000 0.748 209 E HN 0.377 nan 8.360 nan 0.000 0.449 210 K N 0.578 120.911 120.400 -0.113 0.000 1.985 210 K HA -0.153 4.168 4.320 0.001 0.000 0.210 210 K C 2.221 178.779 176.600 -0.069 0.000 1.047 210 K CA 1.948 58.188 56.287 -0.079 0.000 0.932 210 K CB -0.152 32.306 32.500 -0.069 0.000 0.716 210 K HN 0.003 nan 8.250 nan 0.000 0.439 211 T N 2.295 116.798 114.554 -0.084 0.000 2.622 211 T HA -0.160 4.191 4.350 0.001 0.000 0.266 211 T C 1.862 176.526 174.700 -0.061 0.000 1.047 211 T CA 1.796 63.857 62.100 -0.065 0.000 1.159 211 T CB -0.290 68.531 68.868 -0.078 0.000 0.863 211 T HN 0.186 nan 8.240 nan 0.000 0.422 212 L N 0.833 122.007 121.223 -0.082 0.000 2.131 212 L HA -0.093 4.247 4.340 0.001 0.000 0.210 212 L C 2.841 179.678 176.870 -0.055 0.000 1.092 212 L CA 0.907 55.705 54.840 -0.069 0.000 0.759 212 L CB -0.632 41.373 42.059 -0.090 0.000 0.903 212 L HN 0.236 nan 8.230 nan 0.000 0.435 213 S N -0.198 115.467 115.700 -0.058 0.000 2.402 213 S HA -0.182 4.289 4.470 0.001 0.000 0.229 213 S C 1.644 176.225 174.600 -0.032 0.000 1.021 213 S CA 1.159 59.332 58.200 -0.045 0.000 0.974 213 S CB -0.157 63.014 63.200 -0.047 0.000 0.800 213 S HN 0.599 nan 8.310 nan 0.000 0.484 214 Q N 0.351 120.133 119.800 -0.030 0.000 2.247 214 Q HA 0.377 4.718 4.340 0.001 0.000 0.205 214 Q C 0.935 176.926 176.000 -0.015 0.000 0.896 214 Q CA 0.402 56.194 55.803 -0.020 0.000 0.950 214 Q CB -0.178 28.551 28.738 -0.016 0.000 1.054 214 Q HN 0.364 nan 8.270 nan 0.000 0.482 215 G N 0.189 108.978 108.800 -0.018 0.000 2.168 215 G HA2 -0.284 3.676 3.960 0.001 0.000 0.257 215 G HA3 -0.284 3.676 3.960 0.001 0.000 0.257 215 G C 0.354 175.250 174.900 -0.007 0.000 0.997 215 G CA -0.035 45.058 45.100 -0.011 0.000 0.708 215 G HN 0.706 nan 8.290 nan 0.000 0.520 216 G N -0.940 107.853 108.800 -0.012 0.000 2.543 216 G HA2 0.614 4.575 3.960 0.001 0.000 0.290 216 G HA3 0.614 4.575 3.960 0.001 0.000 0.290 216 G C -0.089 174.806 174.900 -0.007 0.000 1.310 216 G CA -0.669 44.428 45.100 -0.006 0.000 1.025 216 G HN 0.404 nan 8.290 nan 0.000 0.502 217 K N -0.758 119.640 120.400 -0.003 0.000 2.207 217 K HA 0.505 4.826 4.320 0.001 0.000 0.255 217 K C -1.152 175.436 176.600 -0.021 0.000 0.941 217 K CA -0.627 55.657 56.287 -0.005 0.000 0.825 217 K CB 2.613 35.117 32.500 0.007 0.000 1.119 217 K HN 0.137 nan 8.250 nan 0.000 0.430 218 V N 4.942 124.834 119.914 -0.036 0.000 2.311 218 V HA 0.268 4.388 4.120 0.001 0.000 0.275 218 V C -0.408 175.656 176.094 -0.050 0.000 1.022 218 V CA -0.749 61.521 62.300 -0.050 0.000 0.830 218 V CB 0.598 32.370 31.823 -0.085 0.000 1.012 218 V HN 0.565 nan 8.190 nan 0.000 0.452 219 L N 6.594 127.782 121.223 -0.059 0.000 2.264 219 L HA 0.606 4.947 4.340 0.001 0.000 0.289 219 L C -0.447 176.358 176.870 -0.108 0.000 1.044 219 L CA -0.257 54.531 54.840 -0.087 0.000 0.807 219 L CB 1.317 43.330 42.059 -0.076 0.000 1.192 219 L HN 0.484 nan 8.230 nan 0.000 0.425 220 I N 5.375 125.888 120.570 -0.096 0.000 2.495 220 I HA 0.295 4.465 4.170 0.001 0.000 0.277 220 I C -2.245 173.814 176.117 -0.096 0.000 1.045 220 I CA -1.886 59.357 61.300 -0.095 0.000 1.135 220 I CB 1.739 39.720 38.000 -0.032 0.000 1.241 220 I HN 0.328 nan 8.210 nan 0.000 0.469 221 P HA 0.164 nan 4.420 nan 0.000 0.271 221 P C -0.294 176.953 177.300 -0.089 0.000 1.216 221 P CA 0.125 63.175 63.100 -0.084 0.000 0.776 221 P CB 1.798 33.467 31.700 -0.052 0.000 0.881 222 T N 1.658 116.134 114.554 -0.130 0.000 2.830 222 T HA 0.501 4.852 4.350 0.001 0.000 0.322 222 T C -1.266 173.334 174.700 -0.166 0.000 1.501 222 T CA -0.511 61.515 62.100 -0.123 0.000 1.036 222 T CB 0.325 69.170 68.868 -0.037 0.000 1.379 222 T HN 0.060 nan 8.240 nan 0.000 0.493 223 F N 1.421 121.413 119.950 0.071 0.000 2.370 223 F HA 0.593 5.121 4.527 0.001 0.000 0.319 223 F C 1.559 177.395 175.800 0.059 0.000 1.129 223 F CA -0.291 57.752 58.000 0.072 0.000 1.109 223 F CB 1.157 40.203 39.000 0.078 0.000 1.262 223 F HN 0.724 nan 8.300 nan 0.000 0.534 224 A N 1.095 124.090 122.820 0.292 0.000 2.238 224 A HA 0.164 4.485 4.320 0.001 0.000 0.210 224 A C 1.544 179.197 177.584 0.116 0.000 1.179 224 A CA 0.291 52.419 52.037 0.151 0.000 0.827 224 A CB -0.498 18.573 19.000 0.117 0.000 0.856 224 A HN 0.565 nan 8.150 nan 0.000 0.488 225 V N -0.754 119.265 119.914 0.175 0.000 2.535 225 V HA -0.038 4.083 4.120 0.001 0.000 0.246 225 V C 2.105 178.280 176.094 0.134 0.000 1.045 225 V CA 2.022 64.409 62.300 0.145 0.000 1.058 225 V CB 0.002 31.945 31.823 0.200 0.000 0.689 225 V HN 0.670 nan 8.190 nan 0.000 0.461 226 E N -1.036 119.256 120.200 0.152 0.000 2.652 226 E HA 0.026 4.377 4.350 0.001 0.000 0.197 226 E C 2.066 178.746 176.600 0.133 0.000 0.936 226 E CA -0.046 56.448 56.400 0.156 0.000 1.638 226 E CB 0.359 30.112 29.700 0.089 0.000 1.884 226 E HN 0.234 nan 8.360 nan 0.000 1.005 227 R N 1.626 122.206 120.500 0.134 0.000 2.073 227 R HA 0.053 4.394 4.340 0.001 0.000 0.234 227 R C 2.101 178.429 176.300 0.046 0.000 1.134 227 R CA 2.114 58.273 56.100 0.099 0.000 0.952 227 R CB -0.744 29.637 30.300 0.134 0.000 0.850 227 R HN 0.163 nan 8.270 nan 0.000 0.433 228 A N 0.014 122.863 122.820 0.049 0.000 1.883 228 A HA -0.228 4.092 4.320 0.001 0.000 0.217 228 A C 2.057 179.657 177.584 0.026 0.000 1.186 228 A CA 1.808 53.853 52.037 0.014 0.000 0.624 228 A CB -0.565 18.440 19.000 0.009 0.000 0.822 228 A HN 0.423 nan 8.150 nan 0.000 0.444 229 Q N -0.554 119.253 119.800 0.012 0.000 2.167 229 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 229 Q C 1.922 178.102 176.000 0.300 0.000 0.970 229 Q CA 1.575 57.402 55.803 0.040 0.000 0.855 229 Q CB -0.288 28.279 28.738 -0.284 0.000 0.911 229 Q HN 0.871 nan 8.270 nan 0.000 0.438 230 E N 0.067 120.419 120.200 0.253 0.000 2.106 230 E HA -0.171 4.180 4.350 0.001 0.000 0.192 230 E C 1.473 178.227 176.600 0.255 0.000 0.984 230 E CA 0.777 57.364 56.400 0.313 0.000 0.806 230 E CB 0.085 29.918 29.700 0.222 0.000 0.750 230 E HN 0.239 nan 8.360 nan 0.000 0.458 231 I N 1.203 121.818 120.570 0.075 0.000 2.252 231 I HA -0.244 3.927 4.170 0.001 0.000 0.245 231 I C 2.392 178.590 176.117 0.136 0.000 1.102 231 I CA 1.015 62.294 61.300 -0.035 0.000 1.385 231 I CB -0.995 36.913 38.000 -0.154 0.000 1.064 231 I HN 0.294 nan 8.210 nan 0.000 0.414 232 L N -0.612 120.712 121.223 0.169 0.000 2.083 232 L HA -0.278 4.063 4.340 0.001 0.000 0.209 232 L C 2.726 179.721 176.870 0.209 0.000 1.083 232 L CA 1.495 56.443 54.840 0.179 0.000 0.752 232 L CB -0.949 41.215 42.059 0.174 0.000 0.899 232 L HN 0.174 nan 8.230 nan 0.000 0.433 233 Y N 0.486 120.868 120.300 0.137 0.000 2.165 233 Y HA -0.244 4.307 4.550 0.001 0.000 0.286 233 Y C 2.429 178.379 175.900 0.082 0.000 1.155 233 Y CA 1.640 59.724 58.100 -0.027 0.000 1.164 233 Y CB -0.304 38.109 38.460 -0.078 0.000 0.978 233 Y HN -0.168 nan 8.280 nan 0.000 0.513 234 V N 0.381 120.440 119.914 0.242 0.000 2.343 234 V HA -0.332 3.789 4.120 0.001 0.000 0.247 234 V C 2.452 178.702 176.094 0.261 0.000 1.051 234 V CA 2.037 64.515 62.300 0.296 0.000 1.036 234 V CB -0.773 31.292 31.823 0.403 0.000 0.654 234 V HN 0.437 nan 8.190 nan 0.000 0.451 235 L N -1.330 120.020 121.223 0.213 0.000 1.994 235 L HA -0.223 4.117 4.340 0.001 0.000 0.208 235 L C 2.489 179.372 176.870 0.021 0.000 1.071 235 L CA 2.272 57.193 54.840 0.135 0.000 0.745 235 L CB -0.810 41.318 42.059 0.115 0.000 0.892 235 L HN 0.392 nan 8.230 nan 0.000 0.431 236 Y N 1.528 121.741 120.300 -0.145 0.000 2.081 236 Y HA -0.347 4.203 4.550 0.001 0.000 0.280 236 Y C 2.882 178.594 175.900 -0.313 0.000 1.163 236 Y CA 2.346 60.302 58.100 -0.240 0.000 1.135 236 Y CB -0.525 37.734 38.460 -0.335 0.000 0.970 236 Y HN 0.302 nan 8.280 nan 0.000 0.498 237 T N -2.748 111.591 114.554 -0.359 0.000 3.098 237 T HA -0.118 4.233 4.350 0.001 0.000 0.266 237 T C 0.683 175.038 174.700 -0.576 0.000 1.145 237 T CA 1.385 63.166 62.100 -0.531 0.000 1.092 237 T CB -0.393 68.062 68.868 -0.689 0.000 0.908 237 T HN 0.546 nan 8.240 nan 0.000 0.526 238 H N -0.585 118.388 119.070 -0.162 0.000 2.665 238 H HA 0.410 4.966 4.556 0.001 0.000 0.248 238 H C 1.803 176.831 175.328 -0.501 0.000 1.175 238 H CA -0.111 55.743 56.048 -0.323 0.000 0.952 238 H CB 0.367 30.003 29.762 -0.211 0.000 1.883 238 H HN 0.470 nan 8.280 nan 0.000 0.623 239 G N 0.647 109.291 108.800 -0.261 0.000 2.625 239 G HA2 -0.202 3.759 3.960 0.001 0.000 0.214 239 G HA3 -0.202 3.759 3.960 0.001 0.000 0.214 239 G C 1.511 176.297 174.900 -0.190 0.000 1.132 239 G CA 0.348 45.316 45.100 -0.220 0.000 0.782 239 G HN 0.508 nan 8.290 nan 0.000 0.538 240 H N 1.541 120.549 119.070 -0.104 0.000 2.299 240 H HA -0.071 4.486 4.556 0.001 0.000 0.302 240 H C 2.386 177.681 175.328 -0.054 0.000 1.078 240 H CA 1.261 57.261 56.048 -0.080 0.000 1.323 240 H CB -0.565 29.153 29.762 -0.073 0.000 1.381 240 H HN 0.514 nan 8.280 nan 0.000 0.498 241 R N 1.410 121.722 120.500 -0.315 0.000 2.153 241 R HA 0.151 4.491 4.340 0.001 0.000 0.218 241 R C 0.772 176.982 176.300 -0.150 0.000 1.072 241 R CA 0.051 56.063 56.100 -0.148 0.000 0.990 241 R CB -0.278 29.937 30.300 -0.142 0.000 0.889 241 R HN 0.149 nan 8.270 nan 0.000 0.452 242 L N 4.091 125.196 121.223 -0.195 0.000 2.410 242 L HA 0.255 4.596 4.340 0.001 0.000 0.273 242 L C -1.737 175.064 176.870 -0.114 0.000 1.152 242 L CA -2.156 52.592 54.840 -0.155 0.000 0.855 242 L CB 0.498 42.459 42.059 -0.164 0.000 1.129 242 L HN 0.074 nan 8.230 nan 0.000 0.463 243 P HA 0.074 nan 4.420 nan 0.000 0.269 243 P C -0.642 176.612 177.300 -0.076 0.000 1.209 243 P CA -0.476 62.578 63.100 -0.077 0.000 0.776 243 P CB 0.522 32.179 31.700 -0.071 0.000 0.876 244 R N 1.220 121.682 120.500 -0.063 0.000 2.570 244 R HA 0.472 4.813 4.340 0.001 0.000 0.277 244 R C 0.240 176.502 176.300 -0.062 0.000 1.039 244 R CA 0.334 56.397 56.100 -0.062 0.000 1.065 244 R CB -0.316 29.955 30.300 -0.050 0.000 0.964 244 R HN 0.726 nan 8.270 nan 0.000 0.428 245 A N 4.657 127.432 122.820 -0.075 0.000 2.586 245 A HA 0.413 4.733 4.320 0.001 0.000 0.296 245 A C -2.710 174.797 177.584 -0.127 0.000 1.040 245 A CA -1.222 50.768 52.037 -0.078 0.000 0.701 245 A CB 1.513 20.471 19.000 -0.069 0.000 1.277 245 A HN 0.478 nan 8.150 nan 0.000 0.413 246 P HA 0.520 nan 4.420 nan 0.000 0.275 246 P C -0.843 176.181 177.300 -0.461 0.000 1.228 246 P CA 0.119 62.989 63.100 -0.383 0.000 0.786 246 P CB 0.707 32.093 31.700 -0.523 0.000 0.927 247 I N 3.098 123.381 120.570 -0.479 0.000 2.390 247 I HA 0.233 4.404 4.170 0.001 0.000 0.283 247 I C -0.377 175.529 176.117 -0.351 0.000 1.016 247 I CA -0.812 60.309 61.300 -0.299 0.000 1.151 247 I CB 0.654 38.570 38.000 -0.140 0.000 1.293 247 I HN 0.253 nan 8.210 nan 0.000 0.458 248 Y N 6.362 126.642 120.300 -0.034 0.000 2.367 248 Y HA 0.334 4.885 4.550 0.001 0.000 0.342 248 Y C 0.034 175.913 175.900 -0.035 0.000 0.979 248 Y CA -0.807 57.274 58.100 -0.032 0.000 1.161 248 Y CB 1.143 39.578 38.460 -0.041 0.000 1.155 248 Y HN 0.405 nan 8.280 nan 0.000 0.503 249 L N 4.756 126.044 121.223 0.107 0.000 2.358 249 L HA 0.271 4.611 4.340 0.001 0.000 0.274 249 L C -0.113 176.801 176.870 0.073 0.000 1.136 249 L CA -0.170 54.705 54.840 0.058 0.000 0.970 249 L CB -0.192 41.881 42.059 0.023 0.000 1.314 249 L HN 0.524 nan 8.230 nan 0.000 0.427 250 D N 2.283 122.730 120.400 0.080 0.000 2.845 250 D HA 0.166 4.807 4.640 0.001 0.000 0.235 250 D C -0.643 175.698 176.300 0.068 0.000 1.158 250 D CA 0.414 54.467 54.000 0.089 0.000 0.990 250 D CB -0.003 40.881 40.800 0.141 0.000 1.094 250 D HN 0.378 nan 8.370 nan 0.000 0.486 251 S N 1.370 117.093 115.700 0.038 0.000 2.614 251 S HA 0.341 4.812 4.470 0.001 0.000 0.259 251 S C -2.216 172.386 174.600 0.004 0.000 1.118 251 S CA -1.065 57.152 58.200 0.028 0.000 1.065 251 S CB 1.417 64.638 63.200 0.034 0.000 1.121 251 S HN -0.079 nan 8.310 nan 0.000 0.458 252 P HA -0.133 nan 4.420 nan 0.000 0.215 252 P C 1.688 178.980 177.300 -0.014 0.000 1.157 252 P CA 1.067 64.146 63.100 -0.034 0.000 0.868 252 P CB 0.035 31.701 31.700 -0.057 0.000 0.788 253 M N -0.576 119.028 119.600 0.007 0.000 2.080 253 M HA -0.173 4.308 4.480 0.001 0.000 0.260 253 M C 1.938 178.240 176.300 0.003 0.000 1.068 253 M CA 2.315 57.625 55.300 0.017 0.000 1.109 253 M CB -0.558 32.071 32.600 0.048 0.000 1.342 253 M HN -0.127 nan 8.290 nan 0.000 0.405 254 A N -0.075 122.746 122.820 0.002 0.000 1.972 254 A HA -0.026 4.294 4.320 0.001 0.000 0.219 254 A C 2.246 179.786 177.584 -0.073 0.000 1.169 254 A CA 1.721 53.739 52.037 -0.031 0.000 0.635 254 A CB -1.584 17.408 19.000 -0.014 0.000 0.810 254 A HN 0.677 nan 8.150 nan 0.000 0.446 255 G N -0.556 108.216 108.800 -0.046 0.000 2.402 255 G HA2 -0.178 3.782 3.960 0.001 0.000 0.216 255 G HA3 -0.178 3.782 3.960 0.001 0.000 0.216 255 G C 1.756 176.624 174.900 -0.054 0.000 1.162 255 G CA 0.708 45.778 45.100 -0.050 0.000 0.777 255 G HN 0.555 nan 8.290 nan 0.000 0.539 256 R N -0.104 120.373 120.500 -0.037 0.000 2.081 256 R HA -0.024 4.317 4.340 0.001 0.000 0.235 256 R C 2.625 178.903 176.300 -0.037 0.000 1.131 256 R CA 1.176 57.262 56.100 -0.024 0.000 0.960 256 R CB -0.682 29.613 30.300 -0.008 0.000 0.856 256 R HN 0.290 nan 8.270 nan 0.000 0.436 257 V N 1.670 121.547 119.914 -0.062 0.000 2.343 257 V HA -0.224 3.897 4.120 0.001 0.000 0.247 257 V C 2.253 178.204 176.094 -0.238 0.000 1.051 257 V CA 1.502 63.750 62.300 -0.087 0.000 1.036 257 V CB -0.461 31.310 31.823 -0.087 0.000 0.654 257 V HN 0.233 nan 8.190 nan 0.000 0.451 258 L N 0.130 121.151 121.223 -0.337 0.000 2.083 258 L HA -0.111 4.230 4.340 0.001 0.000 0.209 258 L C 2.442 179.221 176.870 -0.151 0.000 1.083 258 L CA 2.076 56.648 54.840 -0.446 0.000 0.752 258 L CB -0.682 41.203 42.059 -0.291 0.000 0.899 258 L HN 0.256 nan 8.230 nan 0.000 0.433 259 S N -0.492 115.173 115.700 -0.058 0.000 2.419 259 S HA -0.132 4.339 4.470 0.001 0.000 0.233 259 S C 1.743 176.382 174.600 0.065 0.000 1.016 259 S CA 1.427 59.637 58.200 0.017 0.000 0.974 259 S CB -0.447 62.760 63.200 0.012 0.000 0.786 259 S HN 0.464 nan 8.310 nan 0.000 0.492 260 L N 0.355 121.623 121.223 0.075 0.000 2.313 260 L HA 0.174 4.514 4.340 0.001 0.000 0.214 260 L C 1.608 178.617 176.870 0.231 0.000 1.119 260 L CA 1.217 56.131 54.840 0.123 0.000 0.809 260 L CB -0.608 41.511 42.059 0.101 0.000 0.933 260 L HN 0.332 nan 8.230 nan 0.000 0.449 261 Y N 0.403 120.714 120.300 0.017 0.000 2.193 261 Y HA -0.229 4.321 4.550 0.001 0.000 0.285 261 Y C -0.284 175.663 175.900 0.079 0.000 1.166 261 Y CA 1.006 59.153 58.100 0.077 0.000 1.181 261 Y CB -1.292 37.116 38.460 -0.087 0.000 0.976 261 Y HN 0.312 nan 8.280 nan 0.000 0.520 262 P HA -0.128 nan 4.420 nan 0.000 0.222 262 P C 0.720 177.963 177.300 -0.096 0.000 1.147 262 P CA 1.537 64.626 63.100 -0.017 0.000 0.790 262 P CB -0.005 31.797 31.700 0.170 0.000 0.780 263 R N -1.407 119.096 120.500 0.005 0.000 2.310 263 R HA 0.138 4.479 4.340 0.001 0.000 0.202 263 R C 0.369 176.671 176.300 0.004 0.000 0.933 263 R CA 0.350 56.449 56.100 -0.001 0.000 1.054 263 R CB -0.085 30.228 30.300 0.021 0.000 0.985 263 R HN 0.135 nan 8.270 nan 0.000 0.489 264 L N -0.180 121.046 121.223 0.005 0.000 3.066 264 L HA 0.124 4.465 4.340 0.001 0.000 0.265 264 L C 1.335 178.235 176.870 0.050 0.000 1.232 264 L CA 0.246 55.106 54.840 0.034 0.000 1.031 264 L CB 0.735 42.681 42.059 -0.188 0.000 1.379 264 L HN -0.135 nan 8.230 nan 0.000 0.563 265 V N 0.848 120.741 119.914 -0.035 0.000 2.317 265 V HA -0.349 3.771 4.120 0.001 0.000 0.251 265 V C 2.566 178.693 176.094 0.054 0.000 1.065 265 V CA 2.439 64.719 62.300 -0.034 0.000 1.049 265 V CB -0.756 30.898 31.823 -0.282 0.000 0.651 265 V HN 0.674 nan 8.190 nan 0.000 0.450 266 R N -0.928 119.518 120.500 -0.089 0.000 2.328 266 R HA -0.138 4.203 4.340 0.001 0.000 0.207 266 R C 1.686 177.751 176.300 -0.392 0.000 1.056 266 R CA 1.642 57.601 56.100 -0.235 0.000 1.016 266 R CB -0.544 29.547 30.300 -0.348 0.000 0.872 266 R HN 0.536 nan 8.270 nan 0.000 0.471 267 Y N -0.372 119.769 120.300 -0.264 0.000 2.457 267 Y HA 0.293 4.844 4.550 0.001 0.000 0.263 267 Y C 0.185 175.767 175.900 -0.530 0.000 1.164 267 Y CA -0.563 57.295 58.100 -0.403 0.000 1.274 267 Y CB 0.330 38.458 38.460 -0.553 0.000 1.097 267 Y HN -0.118 nan 8.280 nan 0.000 0.523 268 F N -0.506 119.449 119.950 0.009 0.000 2.410 268 F HA 0.367 4.895 4.527 0.001 0.000 0.324 268 F C 1.053 176.841 175.800 -0.019 0.000 1.093 268 F CA -1.575 56.424 58.000 -0.002 0.000 1.028 268 F CB 0.315 39.363 39.000 0.079 0.000 1.309 268 F HN -0.275 nan 8.300 nan 0.000 0.499 269 S N 0.038 115.859 115.700 0.202 0.000 2.589 269 S HA 0.070 4.540 4.470 0.001 0.000 0.265 269 S C 0.905 175.566 174.600 0.102 0.000 1.342 269 S CA -0.606 57.646 58.200 0.087 0.000 1.005 269 S CB 0.664 63.893 63.200 0.049 0.000 0.909 269 S HN 0.598 nan 8.310 nan 0.000 0.555 270 E N 0.914 121.149 120.200 0.059 0.000 2.085 270 E HA -0.223 4.128 4.350 0.001 0.000 0.194 270 E C 1.876 178.523 176.600 0.078 0.000 0.994 270 E CA 1.620 58.054 56.400 0.056 0.000 0.801 270 E CB -0.456 29.262 29.700 0.029 0.000 0.743 270 E HN 0.922 nan 8.360 nan 0.000 0.453 271 E N 0.657 120.909 120.200 0.088 0.000 2.058 271 E HA -0.164 4.187 4.350 0.001 0.000 0.194 271 E C 2.192 178.921 176.600 0.215 0.000 0.997 271 E CA 1.399 57.873 56.400 0.123 0.000 0.801 271 E CB 0.163 29.962 29.700 0.165 0.000 0.746 271 E HN 0.018 nan 8.360 nan 0.000 0.450 272 V N 1.173 121.203 119.914 0.193 0.000 2.343 272 V HA -0.275 3.846 4.120 0.001 0.000 0.247 272 V C 2.417 178.703 176.094 0.319 0.000 1.051 272 V CA 2.045 64.465 62.300 0.199 0.000 1.036 272 V CB -0.577 31.258 31.823 0.020 0.000 0.654 272 V HN 0.336 nan 8.190 nan 0.000 0.451 273 Q N -0.206 119.766 119.800 0.287 0.000 2.124 273 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 273 Q C 2.422 178.550 176.000 0.213 0.000 0.977 273 Q CA 1.670 57.645 55.803 0.286 0.000 0.850 273 Q CB -0.412 28.427 28.738 0.169 0.000 0.901 273 Q HN 0.688 nan 8.270 nan 0.000 0.429 274 A N 0.555 123.441 122.820 0.109 0.000 1.933 274 A HA -0.235 4.086 4.320 0.001 0.000 0.218 274 A C 1.497 179.064 177.584 -0.027 0.000 1.175 274 A CA 1.726 53.764 52.037 0.002 0.000 0.628 274 A CB -0.691 18.252 19.000 -0.095 0.000 0.814 274 A HN 0.390 nan 8.150 nan 0.000 0.444 275 H N -1.893 117.200 119.070 0.039 0.000 2.270 275 H HA -0.075 4.481 4.556 0.001 0.000 0.299 275 H C 1.740 177.034 175.328 -0.056 0.000 1.077 275 H CA 2.251 58.266 56.048 -0.055 0.000 1.294 275 H CB -0.360 29.287 29.762 -0.192 0.000 1.371 275 H HN 0.497 nan 8.280 nan 0.000 0.491 276 F N -0.212 119.816 119.950 0.130 0.000 2.236 276 F HA -0.188 4.340 4.527 0.001 0.000 0.302 276 F C 2.197 178.037 175.800 0.067 0.000 1.073 276 F CA 0.660 58.712 58.000 0.086 0.000 1.336 276 F CB -0.353 38.704 39.000 0.096 0.000 1.040 276 F HN 0.120 nan 8.300 nan 0.000 0.507 277 L N -0.096 121.263 121.223 0.226 0.000 2.093 277 L HA -0.168 4.173 4.340 0.001 0.000 0.208 277 L C 2.005 178.927 176.870 0.087 0.000 1.085 277 L CA 1.739 56.657 54.840 0.130 0.000 0.755 277 L CB -0.741 41.369 42.059 0.085 0.000 0.904 277 L HN 0.164 nan 8.230 nan 0.000 0.435 278 Q N -0.591 119.249 119.800 0.066 0.000 2.431 278 Q HA 0.156 4.497 4.340 0.001 0.000 0.210 278 Q C 1.150 177.185 176.000 0.059 0.000 0.958 278 Q CA 0.549 56.379 55.803 0.045 0.000 0.957 278 Q CB -0.116 28.637 28.738 0.026 0.000 1.007 278 Q HN 0.597 nan 8.270 nan 0.000 0.511 279 G N 1.542 110.393 108.800 0.084 0.000 2.143 279 G HA2 -0.286 3.675 3.960 0.001 0.000 0.248 279 G HA3 -0.286 3.675 3.960 0.001 0.000 0.248 279 G C -0.252 174.684 174.900 0.061 0.000 0.991 279 G CA 0.074 45.225 45.100 0.085 0.000 0.689 279 G HN 0.256 nan 8.290 nan 0.000 0.522 280 K N -0.006 120.405 120.400 0.018 0.000 2.270 280 K HA 0.386 4.707 4.320 0.001 0.000 0.255 280 K C -0.722 175.664 176.600 -0.356 0.000 0.936 280 K CA -1.039 55.207 56.287 -0.069 0.000 0.809 280 K CB 1.334 33.849 32.500 0.026 0.000 1.131 280 K HN 0.050 nan 8.250 nan 0.000 0.427 281 N N 4.364 122.826 118.700 -0.396 0.000 2.469 281 N HA 0.095 4.836 4.740 0.001 0.000 0.239 281 N C -1.808 173.152 175.510 -0.917 0.000 1.053 281 N CA -2.034 50.620 53.050 -0.660 0.000 0.937 281 N CB 0.876 39.268 38.487 -0.159 0.000 1.163 281 N HN 0.342 nan 8.380 nan 0.000 0.509 282 P HA -0.032 nan 4.420 nan 0.000 0.239 282 P C 0.126 176.693 177.300 -1.222 0.000 1.184 282 P CA 0.576 62.628 63.100 -1.748 0.000 0.760 282 P CB -0.145 30.771 31.700 -1.307 0.000 0.884 283 F N 0.002 119.651 119.950 -0.502 0.000 2.641 283 F HA 0.282 4.810 4.527 0.001 0.000 0.302 283 F C 1.279 176.988 175.800 -0.150 0.000 1.098 283 F CA -0.119 57.775 58.000 -0.177 0.000 1.318 283 F CB 0.300 39.276 39.000 -0.041 0.000 1.035 283 F HN -0.276 nan 8.300 nan 0.000 0.551 284 R N 1.688 122.123 120.500 -0.109 0.000 2.494 284 R HA 0.253 4.593 4.340 0.001 0.000 0.284 284 R C -2.670 173.692 176.300 0.103 0.000 1.525 284 R CA -1.536 54.565 56.100 0.002 0.000 1.460 284 R CB 0.711 31.008 30.300 -0.005 0.000 1.134 284 R HN -0.071 nan 8.270 nan 0.000 0.592 285 P HA 0.061 nan 4.420 nan 0.000 0.272 285 P C -0.211 177.127 177.300 0.062 0.000 1.240 285 P CA -0.273 62.932 63.100 0.175 0.000 0.791 285 P CB 0.804 32.560 31.700 0.094 0.000 0.978 286 A N 0.747 123.575 122.820 0.013 0.000 2.531 286 A HA 0.404 4.724 4.320 0.001 0.000 0.236 286 A C 1.474 179.028 177.584 -0.050 0.000 1.062 286 A CA 0.733 52.758 52.037 -0.020 0.000 0.760 286 A CB -1.457 17.517 19.000 -0.044 0.000 0.995 286 A HN 0.932 nan 8.150 nan 0.000 0.501 287 G N 0.190 108.954 108.800 -0.060 0.000 2.179 287 G HA2 -0.129 3.831 3.960 0.001 0.000 0.260 287 G HA3 -0.129 3.831 3.960 0.001 0.000 0.260 287 G C 0.156 174.968 174.900 -0.147 0.000 0.977 287 G CA 0.345 45.381 45.100 -0.107 0.000 0.641 287 G HN 1.660 nan 8.290 nan 0.000 0.533 288 L N 0.599 121.768 121.223 -0.090 0.000 2.490 288 L HA 0.726 5.067 4.340 0.001 0.000 0.274 288 L C 0.017 176.837 176.870 -0.083 0.000 1.201 288 L CA -0.031 54.758 54.840 -0.086 0.000 0.869 288 L CB 1.082 43.126 42.059 -0.026 0.000 1.123 288 L HN 0.208 nan 8.230 nan 0.000 0.484 289 E N 2.816 122.964 120.200 -0.086 0.000 2.290 289 E HA 0.459 4.809 4.350 0.001 0.000 0.274 289 E C -1.625 175.010 176.600 0.058 0.000 0.889 289 E CA -0.398 55.997 56.400 -0.009 0.000 0.760 289 E CB 1.911 31.605 29.700 -0.009 0.000 1.206 289 E HN 0.359 nan 8.360 nan 0.000 0.419 290 V N 4.229 124.176 119.914 0.054 0.000 2.350 290 V HA 0.342 4.463 4.120 0.001 0.000 0.276 290 V C -0.258 175.872 176.094 0.060 0.000 1.028 290 V CA -0.792 61.537 62.300 0.048 0.000 0.860 290 V CB 1.475 33.306 31.823 0.014 0.000 0.990 290 V HN 0.511 nan 8.190 nan 0.000 0.453 291 V N 5.557 125.514 119.914 0.071 0.000 2.406 291 V HA 0.279 4.400 4.120 0.001 0.000 0.272 291 V C 1.026 177.102 176.094 -0.029 0.000 1.043 291 V CA -0.239 62.089 62.300 0.047 0.000 0.915 291 V CB 1.231 33.090 31.823 0.060 0.000 0.988 291 V HN 0.887 nan 8.190 nan 0.000 0.466 292 E N 2.553 122.698 120.200 -0.092 0.000 2.140 292 E HA 0.081 4.431 4.350 0.001 0.000 0.191 292 E C 0.153 176.433 176.600 -0.533 0.000 0.973 292 E CA 0.824 57.034 56.400 -0.316 0.000 0.829 292 E CB 0.323 29.783 29.700 -0.400 0.000 0.781 292 E HN 0.834 nan 8.360 nan 0.000 0.466 293 H N -1.429 117.644 119.070 0.005 0.000 2.771 293 H HA 0.261 4.818 4.556 0.001 0.000 0.367 293 H C 1.007 176.318 175.328 -0.028 0.000 1.172 293 H CA -0.294 55.749 56.048 -0.009 0.000 1.186 293 H CB 1.492 31.247 29.762 -0.012 0.000 1.790 293 H HN -0.248 nan 8.280 nan 0.000 0.556 294 T N 0.347 114.959 114.554 0.098 0.000 2.759 294 T HA -0.165 4.185 4.350 0.001 0.000 0.269 294 T C 1.383 176.058 174.700 -0.041 0.000 1.042 294 T CA 1.720 63.813 62.100 -0.013 0.000 1.140 294 T CB -0.124 68.719 68.868 -0.040 0.000 0.864 294 T HN 0.537 nan 8.240 nan 0.000 0.455 295 E N 1.557 121.754 120.200 -0.005 0.000 2.038 295 E HA -0.062 4.288 4.350 0.001 0.000 0.195 295 E C 2.441 179.017 176.600 -0.039 0.000 1.000 295 E CA 1.401 57.781 56.400 -0.032 0.000 0.803 295 E CB -0.563 29.124 29.700 -0.021 0.000 0.750 295 E HN 0.511 nan 8.360 nan 0.000 0.448 296 A N 0.199 123.013 122.820 -0.010 0.000 1.969 296 A HA -0.169 4.152 4.320 0.001 0.000 0.218 296 A C 2.278 179.823 177.584 -0.064 0.000 1.169 296 A CA 1.700 53.719 52.037 -0.030 0.000 0.635 296 A CB -0.737 18.266 19.000 0.004 0.000 0.810 296 A HN 0.239 nan 8.150 nan 0.000 0.445 297 S N -0.279 115.393 115.700 -0.045 0.000 2.348 297 S HA -0.202 4.268 4.470 0.001 0.000 0.221 297 S C 2.054 176.602 174.600 -0.087 0.000 1.033 297 S CA 1.885 60.062 58.200 -0.037 0.000 1.010 297 S CB -0.299 62.875 63.200 -0.043 0.000 0.891 297 S HN 0.610 nan 8.310 nan 0.000 0.442 298 K N 0.802 121.115 120.400 -0.145 0.000 2.097 298 K HA 0.044 4.365 4.320 0.001 0.000 0.205 298 K C 2.400 178.920 176.600 -0.133 0.000 1.050 298 K CA 1.034 57.217 56.287 -0.174 0.000 0.938 298 K CB -0.408 31.973 32.500 -0.199 0.000 0.718 298 K HN 0.441 nan 8.250 nan 0.000 0.442 299 A N 1.605 124.359 122.820 -0.110 0.000 1.986 299 A HA -0.163 4.157 4.320 0.001 0.000 0.220 299 A C 2.067 179.587 177.584 -0.107 0.000 1.171 299 A CA 1.291 53.267 52.037 -0.102 0.000 0.640 299 A CB -0.688 18.263 19.000 -0.083 0.000 0.811 299 A HN 0.185 nan 8.150 nan 0.000 0.451 300 L N -0.227 120.926 121.223 -0.115 0.000 2.131 300 L HA -0.217 4.124 4.340 0.001 0.000 0.210 300 L C 2.118 178.967 176.870 -0.036 0.000 1.092 300 L CA 1.139 55.902 54.840 -0.128 0.000 0.759 300 L CB -0.669 41.295 42.059 -0.158 0.000 0.903 300 L HN 0.409 nan 8.230 nan 0.000 0.435 301 N N 0.355 119.047 118.700 -0.015 0.000 2.244 301 N HA -0.137 4.604 4.740 0.001 0.000 0.183 301 N C 1.824 177.283 175.510 -0.086 0.000 1.016 301 N CA 1.109 54.152 53.050 -0.011 0.000 0.866 301 N CB -0.166 38.261 38.487 -0.100 0.000 0.980 301 N HN 0.413 nan 8.380 nan 0.000 0.430 302 R N 0.476 120.902 120.500 -0.122 0.000 2.200 302 R HA 0.235 4.575 4.340 0.001 0.000 0.208 302 R C 0.728 176.996 176.300 -0.054 0.000 1.033 302 R CA 0.062 56.100 56.100 -0.103 0.000 1.000 302 R CB 0.135 30.369 30.300 -0.111 0.000 0.906 302 R HN 0.060 nan 8.270 nan 0.000 0.462 303 A N 3.142 125.933 122.820 -0.047 0.000 2.351 303 A HA 0.327 4.648 4.320 0.001 0.000 0.257 303 A C -2.081 175.500 177.584 -0.005 0.000 1.087 303 A CA -1.242 50.779 52.037 -0.026 0.000 0.798 303 A CB 0.075 19.053 19.000 -0.036 0.000 1.033 303 A HN -0.025 nan 8.150 nan 0.000 0.488 304 P HA 0.382 nan 4.420 nan 0.000 0.281 304 P C 0.340 177.655 177.300 0.025 0.000 1.264 304 P CA -0.070 63.038 63.100 0.013 0.000 0.824 304 P CB 1.133 32.839 31.700 0.010 0.000 1.092 305 G N 0.816 109.630 108.800 0.022 0.000 2.588 305 G HA2 0.386 4.346 3.960 0.001 0.000 0.278 305 G HA3 0.386 4.346 3.960 0.001 0.000 0.278 305 G C -2.229 172.683 174.900 0.020 0.000 1.307 305 G CA -1.077 44.038 45.100 0.026 0.000 1.016 305 G HN 0.450 nan 8.290 nan 0.000 0.503 306 P HA 0.367 nan 4.420 nan 0.000 0.278 306 P C -0.523 176.791 177.300 0.024 0.000 1.238 306 P CA 0.027 63.130 63.100 0.004 0.000 0.794 306 P CB 1.361 33.050 31.700 -0.019 0.000 0.955 307 M N 0.260 119.874 119.600 0.024 0.000 2.694 307 M HA 0.516 4.997 4.480 0.001 0.000 0.276 307 M C -2.102 174.212 176.300 0.023 0.000 1.167 307 M CA -1.020 54.316 55.300 0.060 0.000 0.849 307 M CB 1.678 34.407 32.600 0.215 0.000 1.705 307 M HN -0.083 nan 8.290 nan 0.000 0.504 308 V N 2.014 121.936 119.914 0.015 0.000 2.487 308 V HA 0.742 4.863 4.120 0.001 0.000 0.298 308 V C -0.812 175.304 176.094 0.036 0.000 1.028 308 V CA -0.647 61.649 62.300 -0.008 0.000 0.860 308 V CB 1.856 33.657 31.823 -0.036 0.000 0.991 308 V HN 0.699 nan 8.190 nan 0.000 0.427 309 V N 6.258 126.163 119.914 -0.014 0.000 2.444 309 V HA 0.525 4.646 4.120 0.001 0.000 0.294 309 V C -0.763 175.283 176.094 -0.081 0.000 1.022 309 V CA -0.562 61.697 62.300 -0.069 0.000 0.850 309 V CB 1.678 33.326 31.823 -0.291 0.000 0.992 309 V HN 0.586 nan 8.190 nan 0.000 0.426 310 L N 4.579 125.778 121.223 -0.039 0.000 2.313 310 L HA 0.939 5.279 4.340 0.001 0.000 0.283 310 L C 0.151 177.014 176.870 -0.012 0.000 1.013 310 L CA 0.003 54.827 54.840 -0.026 0.000 0.816 310 L CB 1.572 43.630 42.059 -0.003 0.000 1.236 310 L HN 0.869 nan 8.230 nan 0.000 0.419 311 A N 1.832 124.648 122.820 -0.006 0.000 2.604 311 A HA 0.857 5.177 4.320 0.001 0.000 0.295 311 A C -0.396 177.196 177.584 0.015 0.000 1.067 311 A CA -0.096 51.968 52.037 0.045 0.000 0.683 311 A CB 1.135 20.224 19.000 0.148 0.000 1.281 311 A HN 0.717 nan 8.150 nan 0.000 0.407 312 G N 0.136 108.948 108.800 0.021 0.000 2.531 312 G HA2 0.580 4.541 3.960 0.001 0.000 0.313 312 G HA3 0.580 4.541 3.960 0.001 0.000 0.313 312 G C 0.312 175.216 174.900 0.006 0.000 1.238 312 G CA 0.275 45.357 45.100 -0.031 0.000 0.994 312 G HN 1.746 nan 8.290 nan 0.000 0.493 313 S N -1.042 114.649 115.700 -0.015 0.000 2.580 313 S HA 0.367 4.838 4.470 0.001 0.000 0.274 313 S C 1.638 176.044 174.600 -0.323 0.000 1.329 313 S CA 0.150 58.292 58.200 -0.096 0.000 1.036 313 S CB 1.372 64.583 63.200 0.018 0.000 0.919 313 S HN 1.111 nan 8.310 nan 0.000 0.515 314 G N 1.313 109.556 108.800 -0.928 0.000 2.499 314 G HA2 -0.138 3.822 3.960 0.001 0.000 0.221 314 G HA3 -0.138 3.822 3.960 0.001 0.000 0.221 314 G C 0.832 175.399 174.900 -0.554 0.000 1.109 314 G CA 0.600 44.970 45.100 -1.216 0.000 0.749 314 G HN 0.732 nan 8.290 nan 0.000 0.568 315 M N -0.028 119.391 119.600 -0.301 0.000 2.589 315 M HA 0.382 4.863 4.480 0.001 0.000 0.344 315 M C 0.314 176.630 176.300 0.027 0.000 1.168 315 M CA -0.185 55.111 55.300 -0.007 0.000 0.956 315 M CB 0.653 33.344 32.600 0.152 0.000 1.370 315 M HN 0.028 nan 8.290 nan 0.000 0.518 316 L N -0.689 120.538 121.223 0.007 0.000 4.001 316 L HA -0.316 4.025 4.340 0.001 0.000 0.413 316 L C 1.454 178.342 176.870 0.031 0.000 1.185 316 L CA 0.310 55.169 54.840 0.032 0.000 0.963 316 L CB -2.174 39.929 42.059 0.072 0.000 1.976 316 L HN 0.518 nan 8.230 nan 0.000 0.939 317 A N -0.577 122.269 122.820 0.044 0.000 2.119 317 A HA 0.470 4.791 4.320 0.001 0.000 0.217 317 A C 1.364 178.973 177.584 0.041 0.000 1.153 317 A CA 1.718 53.787 52.037 0.054 0.000 0.692 317 A CB 0.010 19.062 19.000 0.088 0.000 0.799 317 A HN 1.001 nan 8.150 nan 0.000 0.458 318 G N -3.862 104.958 108.800 0.034 0.000 2.336 318 G HA2 0.564 4.525 3.960 0.001 0.000 0.286 318 G HA3 0.564 4.525 3.960 0.001 0.000 0.286 318 G C 0.203 175.126 174.900 0.038 0.000 1.269 318 G CA 0.269 45.385 45.100 0.028 0.000 0.873 318 G HN 2.015 nan 8.290 nan 0.000 0.494 319 G N -1.234 107.600 108.800 0.058 0.000 2.710 319 G HA2 0.024 3.985 3.960 0.001 0.000 0.668 319 G HA3 0.024 3.985 3.960 0.001 0.000 0.668 319 G C 0.718 175.684 174.900 0.109 0.000 1.320 319 G CA 0.591 45.738 45.100 0.078 0.000 0.860 319 G HN 1.079 nan 8.290 nan 0.000 0.538 320 R N -0.574 119.994 120.500 0.114 0.000 2.127 320 R HA -0.071 4.270 4.340 0.001 0.000 0.238 320 R C 2.675 179.030 176.300 0.092 0.000 1.134 320 R CA 1.588 57.750 56.100 0.102 0.000 0.975 320 R CB -0.260 30.087 30.300 0.077 0.000 0.865 320 R HN 0.523 nan 8.270 nan 0.000 0.447 321 I N 1.360 122.030 120.570 0.166 0.000 2.264 321 I HA -0.258 3.913 4.170 0.001 0.000 0.248 321 I C 1.820 177.995 176.117 0.096 0.000 1.111 321 I CA 1.465 62.889 61.300 0.207 0.000 1.382 321 I CB -0.066 37.990 38.000 0.094 0.000 1.060 321 I HN 0.125 nan 8.210 nan 0.000 0.418 322 L N -0.590 120.638 121.223 0.008 0.000 2.083 322 L HA -0.247 4.094 4.340 0.001 0.000 0.209 322 L C 2.578 179.348 176.870 -0.168 0.000 1.083 322 L CA 1.308 56.092 54.840 -0.094 0.000 0.752 322 L CB -1.203 40.758 42.059 -0.164 0.000 0.899 322 L HN 0.384 nan 8.230 nan 0.000 0.433 323 H N -1.086 117.930 119.070 -0.090 0.000 2.389 323 H HA -0.107 4.450 4.556 0.001 0.000 0.299 323 H C 2.338 177.643 175.328 -0.039 0.000 1.081 323 H CA 1.290 57.284 56.048 -0.090 0.000 1.345 323 H CB -0.071 29.598 29.762 -0.156 0.000 1.393 323 H HN 0.446 nan 8.280 nan 0.000 0.520 324 H N 0.174 119.340 119.070 0.160 0.000 2.321 324 H HA -0.099 4.457 4.556 0.001 0.000 0.300 324 H C 2.429 177.789 175.328 0.055 0.000 1.087 324 H CA 0.628 56.738 56.048 0.103 0.000 1.319 324 H CB -0.234 29.558 29.762 0.050 0.000 1.379 324 H HN 0.158 nan 8.280 nan 0.000 0.501 325 L N 1.317 122.613 121.223 0.122 0.000 2.017 325 L HA -0.152 4.189 4.340 0.001 0.000 0.208 325 L C 2.580 179.434 176.870 -0.027 0.000 1.073 325 L CA 1.546 56.406 54.840 0.033 0.000 0.745 325 L CB -0.799 41.263 42.059 0.005 0.000 0.894 325 L HN 0.169 nan 8.230 nan 0.000 0.432 326 K N -1.501 118.834 120.400 -0.108 0.000 2.160 326 K HA -0.202 4.119 4.320 0.001 0.000 0.206 326 K C 1.637 178.028 176.600 -0.349 0.000 1.047 326 K CA 1.472 57.599 56.287 -0.266 0.000 0.930 326 K CB -0.033 32.220 32.500 -0.412 0.000 0.720 326 K HN 0.474 nan 8.250 nan 0.000 0.450 327 H N -2.434 116.651 119.070 0.024 0.000 2.586 327 H HA 0.162 4.719 4.556 0.001 0.000 0.273 327 H C 1.382 176.730 175.328 0.032 0.000 0.997 327 H CA 0.808 56.874 56.048 0.029 0.000 1.177 327 H CB 1.300 31.084 29.762 0.035 0.000 1.471 327 H HN 0.403 nan 8.280 nan 0.000 0.538 328 G N -0.083 108.783 108.800 0.109 0.000 2.833 328 G HA2 -0.005 3.956 3.960 0.001 0.000 0.214 328 G HA3 -0.005 3.956 3.960 0.001 0.000 0.214 328 G C 1.327 176.250 174.900 0.037 0.000 1.075 328 G CA -0.108 45.039 45.100 0.077 0.000 0.799 328 G HN 0.075 nan 8.290 nan 0.000 0.541 329 L N 2.304 123.538 121.223 0.019 0.000 2.291 329 L HA 0.064 4.405 4.340 0.001 0.000 0.214 329 L C 2.789 179.662 176.870 0.005 0.000 1.120 329 L CA 1.815 56.658 54.840 0.005 0.000 0.799 329 L CB -0.238 41.818 42.059 -0.005 0.000 0.925 329 L HN 0.328 nan 8.230 nan 0.000 0.446 330 S N -2.491 113.214 115.700 0.008 0.000 2.603 330 S HA -0.007 4.464 4.470 0.001 0.000 0.220 330 S C 0.720 175.328 174.600 0.014 0.000 0.967 330 S CA -0.206 57.999 58.200 0.008 0.000 0.920 330 S CB -0.306 62.898 63.200 0.008 0.000 0.773 330 S HN 0.364 nan 8.310 nan 0.000 0.529 331 D N 2.522 122.933 120.400 0.018 0.000 2.349 331 D HA 0.318 4.959 4.640 0.001 0.000 0.232 331 D C -1.634 174.675 176.300 0.014 0.000 1.071 331 D CA -2.442 51.568 54.000 0.018 0.000 0.832 331 D CB 2.030 42.844 40.800 0.023 0.000 1.086 331 D HN -0.004 nan 8.370 nan 0.000 0.504 332 P HA -0.136 nan 4.420 nan 0.000 0.221 332 P C 0.967 178.275 177.300 0.014 0.000 1.145 332 P CA 0.684 63.791 63.100 0.011 0.000 0.795 332 P CB 0.454 32.159 31.700 0.009 0.000 0.775 333 R N -1.289 119.218 120.500 0.012 0.000 2.236 333 R HA 0.071 4.412 4.340 0.001 0.000 0.208 333 R C 0.736 177.043 176.300 0.011 0.000 1.036 333 R CA 0.169 56.275 56.100 0.010 0.000 1.001 333 R CB -0.226 30.078 30.300 0.006 0.000 0.896 333 R HN 0.286 nan 8.270 nan 0.000 0.464 334 N N 0.508 119.216 118.700 0.014 0.000 2.408 334 N HA 0.335 5.075 4.740 0.001 0.000 0.260 334 N C -0.779 174.746 175.510 0.026 0.000 1.242 334 N CA -0.033 53.024 53.050 0.013 0.000 0.959 334 N CB 1.208 39.703 38.487 0.014 0.000 1.201 334 N HN 0.035 nan 8.380 nan 0.000 0.511 335 A N 0.483 123.317 122.820 0.023 0.000 2.427 335 A HA 0.511 4.832 4.320 0.001 0.000 0.298 335 A C -1.431 176.172 177.584 0.031 0.000 1.036 335 A CA -0.561 51.517 52.037 0.069 0.000 0.701 335 A CB 0.894 19.944 19.000 0.083 0.000 1.250 335 A HN 0.475 nan 8.150 nan 0.000 0.412 336 L N 3.254 124.492 121.223 0.025 0.000 2.272 336 L HA 0.738 5.079 4.340 0.001 0.000 0.289 336 L C -1.070 175.750 176.870 -0.084 0.000 1.032 336 L CA -0.212 54.559 54.840 -0.115 0.000 0.810 336 L CB 1.510 43.452 42.059 -0.195 0.000 1.205 336 L HN 0.415 nan 8.230 nan 0.000 0.422 337 V N 6.091 125.913 119.914 -0.153 0.000 2.409 337 V HA 0.390 4.511 4.120 0.001 0.000 0.290 337 V C -0.468 175.550 176.094 -0.126 0.000 1.017 337 V CA -0.480 61.816 62.300 -0.007 0.000 0.841 337 V CB 0.997 32.912 31.823 0.153 0.000 1.003 337 V HN 0.498 nan 8.190 nan 0.000 0.426 338 F N 3.970 123.999 119.950 0.132 0.000 2.410 338 F HA 0.415 4.942 4.527 0.001 0.000 0.348 338 F C 0.994 176.861 175.800 0.111 0.000 1.106 338 F CA -0.316 57.737 58.000 0.089 0.000 1.163 338 F CB 1.704 40.751 39.000 0.078 0.000 1.129 338 F HN 0.404 nan 8.300 nan 0.000 0.516 339 V N 0.141 120.184 119.914 0.215 0.000 3.346 339 V HA 0.652 4.773 4.120 0.001 0.000 0.309 339 V C 0.364 176.582 176.094 0.207 0.000 1.457 339 V CA 0.207 62.579 62.300 0.120 0.000 1.069 339 V CB 0.056 31.689 31.823 -0.316 0.000 0.944 339 V HN 0.746 nan 8.190 nan 0.000 0.449 340 G N -1.025 107.935 108.800 0.267 0.000 2.672 340 G HA2 0.499 4.459 3.960 0.001 0.000 0.292 340 G HA3 0.499 4.459 3.960 0.001 0.000 0.292 340 G C -1.743 173.361 174.900 0.341 0.000 1.375 340 G CA -1.109 44.184 45.100 0.322 0.000 0.890 340 G HN 0.199 nan 8.290 nan 0.000 0.476 341 Y N 1.102 121.579 120.300 0.294 0.000 2.620 341 Y HA 0.272 4.823 4.550 0.001 0.000 0.330 341 Y C 0.148 176.136 175.900 0.147 0.000 1.186 341 Y CA 0.312 58.559 58.100 0.245 0.000 1.467 341 Y CB 0.745 39.386 38.460 0.303 0.000 1.262 341 Y HN 0.216 nan 8.280 nan 0.000 0.550 342 Q N 8.764 128.178 119.800 -0.642 0.000 2.333 342 Q HA 0.318 4.658 4.340 0.001 0.000 0.265 342 Q C -2.412 173.136 176.000 -0.754 0.000 0.989 342 Q CA -2.221 53.264 55.803 -0.529 0.000 0.842 342 Q CB 1.360 29.744 28.738 -0.589 0.000 1.262 342 Q HN 0.566 nan 8.270 nan 0.000 0.451 343 P HA -0.013 nan 4.420 nan 0.000 0.269 343 P C -0.220 177.011 177.300 -0.116 0.000 1.209 343 P CA -0.214 62.837 63.100 -0.081 0.000 0.776 343 P CB 0.940 32.699 31.700 0.098 0.000 0.876 344 Q N 0.661 120.441 119.800 -0.033 0.000 2.337 344 Q HA 0.242 4.583 4.340 0.001 0.000 0.270 344 Q C 1.432 177.419 176.000 -0.022 0.000 1.002 344 Q CA 1.402 57.183 55.803 -0.036 0.000 0.888 344 Q CB 0.387 29.129 28.738 0.007 0.000 1.222 344 Q HN 0.929 nan 8.270 nan 0.000 0.400 345 G N 2.020 110.801 108.800 -0.033 0.000 2.176 345 G HA2 -0.220 3.740 3.960 0.001 0.000 0.253 345 G HA3 -0.220 3.740 3.960 0.001 0.000 0.253 345 G C 0.424 175.312 174.900 -0.019 0.000 0.979 345 G CA -0.019 45.070 45.100 -0.020 0.000 0.641 345 G HN 0.851 nan 8.290 nan 0.000 0.530 346 G N -1.217 107.563 108.800 -0.034 0.000 2.613 346 G HA2 0.643 4.603 3.960 0.001 0.000 0.303 346 G HA3 0.643 4.603 3.960 0.001 0.000 0.303 346 G C 1.027 175.909 174.900 -0.030 0.000 1.312 346 G CA 0.003 45.089 45.100 -0.024 0.000 1.036 346 G HN 0.854 nan 8.290 nan 0.000 0.513 347 L N 0.585 121.802 121.223 -0.010 0.000 2.131 347 L HA 0.083 4.423 4.340 0.001 0.000 0.210 347 L C 2.596 179.468 176.870 0.004 0.000 1.092 347 L CA 2.800 57.642 54.840 0.004 0.000 0.759 347 L CB -0.824 41.248 42.059 0.022 0.000 0.903 347 L HN 0.587 nan 8.230 nan 0.000 0.435 348 G N -0.903 107.875 108.800 -0.037 0.000 2.433 348 G HA2 -0.272 3.688 3.960 0.001 0.000 0.216 348 G HA3 -0.272 3.688 3.960 0.001 0.000 0.216 348 G C 1.617 176.374 174.900 -0.239 0.000 1.186 348 G CA 0.923 45.923 45.100 -0.167 0.000 0.779 348 G HN 0.632 nan 8.290 nan 0.000 0.543 349 A N 0.779 123.472 122.820 -0.211 0.000 1.883 349 A HA -0.102 4.218 4.320 0.001 0.000 0.217 349 A C 2.184 179.714 177.584 -0.089 0.000 1.186 349 A CA 2.174 54.111 52.037 -0.167 0.000 0.624 349 A CB -0.606 18.315 19.000 -0.131 0.000 0.822 349 A HN 0.526 nan 8.150 nan 0.000 0.444 350 E N -0.221 119.945 120.200 -0.056 0.000 2.085 350 E HA -0.203 4.148 4.350 0.001 0.000 0.194 350 E C 1.876 178.472 176.600 -0.007 0.000 0.994 350 E CA 1.506 57.891 56.400 -0.025 0.000 0.801 350 E CB -0.238 29.453 29.700 -0.014 0.000 0.743 350 E HN 0.682 nan 8.360 nan 0.000 0.453 351 I N 0.682 121.261 120.570 0.014 0.000 2.252 351 I HA -0.238 3.933 4.170 0.001 0.000 0.245 351 I C 2.351 178.498 176.117 0.050 0.000 1.102 351 I CA 0.806 62.140 61.300 0.057 0.000 1.385 351 I CB -0.160 37.931 38.000 0.150 0.000 1.064 351 I HN 0.206 nan 8.210 nan 0.000 0.414 352 I N 0.999 121.578 120.570 0.015 0.000 2.454 352 I HA -0.247 3.924 4.170 0.001 0.000 0.254 352 I C 2.561 178.674 176.117 -0.007 0.000 1.156 352 I CA 1.010 62.310 61.300 0.001 0.000 1.433 352 I CB -0.393 37.553 38.000 -0.090 0.000 1.082 352 I HN 0.169 nan 8.210 nan 0.000 0.432 353 A N 0.400 123.212 122.820 -0.014 0.000 2.209 353 A HA -0.107 4.214 4.320 0.001 0.000 0.212 353 A C 1.408 178.990 177.584 -0.002 0.000 1.158 353 A CA 0.307 52.337 52.037 -0.010 0.000 0.742 353 A CB -0.292 18.700 19.000 -0.014 0.000 0.790 353 A HN 0.443 nan 8.150 nan 0.000 0.472 354 R N -1.210 119.292 120.500 0.004 0.000 3.267 354 R HA -0.109 4.232 4.340 0.001 0.000 0.254 354 R C -2.339 173.962 176.300 0.001 0.000 0.993 354 R CA 0.677 56.780 56.100 0.004 0.000 0.670 354 R CB -2.360 27.939 30.300 -0.001 0.000 1.125 354 R HN 0.502 nan 8.270 nan 0.000 0.434 355 P HA 0.182 nan 4.420 nan 0.000 0.275 355 P C -1.831 175.469 177.300 -0.001 0.000 1.266 355 P CA -0.990 62.109 63.100 -0.001 0.000 0.793 355 P CB 0.564 32.263 31.700 -0.002 0.000 1.074 356 P HA 0.032 nan 4.420 nan 0.000 0.223 356 P C 0.243 177.542 177.300 -0.003 0.000 1.151 356 P CA 1.193 64.291 63.100 -0.002 0.000 0.787 356 P CB 0.246 31.944 31.700 -0.002 0.000 0.788 357 A N -1.520 121.297 122.820 -0.004 0.000 2.601 357 A HA 0.602 4.923 4.320 0.001 0.000 0.291 357 A C -1.555 176.024 177.584 -0.007 0.000 1.075 357 A CA -0.455 51.578 52.037 -0.006 0.000 0.671 357 A CB 1.478 20.473 19.000 -0.009 0.000 1.277 357 A HN -0.157 nan 8.150 nan 0.000 0.417 358 V N 0.648 120.556 119.914 -0.011 0.000 3.007 358 V HA 0.616 4.737 4.120 0.001 0.000 0.311 358 V C -0.037 176.043 176.094 -0.023 0.000 1.120 358 V CA -0.763 61.529 62.300 -0.013 0.000 0.980 358 V CB 2.032 33.852 31.823 -0.005 0.000 1.033 358 V HN 0.956 nan 8.190 nan 0.000 0.429 359 R N 3.324 123.810 120.500 -0.024 0.000 2.254 359 R HA 0.718 5.059 4.340 0.001 0.000 0.318 359 R C -1.520 174.753 176.300 -0.044 0.000 1.031 359 R CA -0.267 55.813 56.100 -0.033 0.000 0.905 359 R CB 0.651 30.935 30.300 -0.026 0.000 1.050 359 R HN 0.719 nan 8.270 nan 0.000 0.456 360 I N 6.039 126.570 120.570 -0.065 0.000 2.534 360 I HA 0.160 4.331 4.170 0.001 0.000 0.288 360 I C 0.109 176.159 176.117 -0.113 0.000 1.077 360 I CA -0.903 60.343 61.300 -0.089 0.000 1.051 360 I CB 2.009 39.945 38.000 -0.106 0.000 1.234 360 I HN 0.734 nan 8.210 nan 0.000 0.425 361 L N 6.526 127.682 121.223 -0.113 0.000 3.677 361 L HA -0.264 4.076 4.340 0.001 0.000 0.464 361 L C 1.152 177.981 176.870 -0.068 0.000 1.278 361 L CA 0.795 55.569 54.840 -0.110 0.000 0.806 361 L CB -1.789 40.161 42.059 -0.183 0.000 1.610 361 L HN 1.187 nan 8.230 nan 0.000 0.867 362 G N -1.441 107.330 108.800 -0.049 0.000 2.155 362 G HA2 -0.255 3.706 3.960 0.001 0.000 0.257 362 G HA3 -0.255 3.706 3.960 0.001 0.000 0.257 362 G C 0.172 175.053 174.900 -0.032 0.000 0.983 362 G CA 0.758 45.839 45.100 -0.032 0.000 0.676 362 G HN 0.507 nan 8.290 nan 0.000 0.528 363 E N -0.463 119.708 120.200 -0.047 0.000 2.367 363 E HA 0.457 4.807 4.350 0.001 0.000 0.273 363 E C -0.555 176.018 176.600 -0.046 0.000 0.903 363 E CA -0.953 55.421 56.400 -0.044 0.000 0.764 363 E CB 1.706 31.374 29.700 -0.054 0.000 1.252 363 E HN 0.231 nan 8.360 nan 0.000 0.446 364 E N 1.126 121.306 120.200 -0.034 0.000 2.180 364 E HA 0.231 4.581 4.350 0.001 0.000 0.283 364 E C -1.261 175.318 176.600 -0.035 0.000 1.061 364 E CA -0.254 56.128 56.400 -0.030 0.000 0.861 364 E CB 0.868 30.556 29.700 -0.019 0.000 1.056 364 E HN 0.155 nan 8.360 nan 0.000 0.407 365 V N 7.545 127.436 119.914 -0.039 0.000 2.334 365 V HA 0.460 4.581 4.120 0.001 0.000 0.281 365 V C -2.467 173.612 176.094 -0.024 0.000 1.016 365 V CA -2.660 59.615 62.300 -0.041 0.000 0.832 365 V CB 1.475 33.259 31.823 -0.064 0.000 0.999 365 V HN 0.731 nan 8.190 nan 0.000 0.439 366 P HA 0.091 nan 4.420 nan 0.000 0.265 366 P C -0.858 176.439 177.300 -0.006 0.000 1.193 366 P CA -0.087 63.008 63.100 -0.008 0.000 0.765 366 P CB 0.481 32.178 31.700 -0.004 0.000 0.823 367 L N 5.098 126.319 121.223 -0.003 0.000 2.288 367 L HA 0.276 4.617 4.340 0.001 0.000 0.283 367 L C 0.832 177.702 176.870 -0.001 0.000 1.072 367 L CA 0.515 55.354 54.840 -0.001 0.000 0.862 367 L CB -0.236 41.824 42.059 0.002 0.000 1.245 367 L HN 0.297 nan 8.230 nan 0.000 0.432 368 R N 3.063 123.563 120.500 0.000 0.000 2.342 368 R HA 0.430 4.771 4.340 0.001 0.000 0.204 368 R C 0.606 176.907 176.300 0.001 0.000 0.882 368 R CA 0.195 56.296 56.100 0.001 0.000 1.041 368 R CB 0.350 30.652 30.300 0.004 0.000 1.188 368 R HN 0.635 nan 8.270 nan 0.000 0.598 369 A N 2.050 124.871 122.820 0.002 0.000 2.466 369 A HA 0.199 4.520 4.320 0.001 0.000 0.238 369 A C 0.548 178.127 177.584 -0.009 0.000 1.074 369 A CA -0.108 51.932 52.037 0.004 0.000 0.774 369 A CB 0.278 19.281 19.000 0.005 0.000 1.015 369 A HN 0.339 nan 8.150 nan 0.000 0.498 370 S N 0.409 116.110 115.700 0.001 0.000 2.585 370 S HA 0.494 4.964 4.470 0.001 0.000 0.273 370 S C -0.200 174.301 174.600 -0.165 0.000 1.339 370 S CA -0.527 57.633 58.200 -0.068 0.000 1.028 370 S CB 0.866 64.095 63.200 0.048 0.000 0.906 370 S HN 0.896 nan 8.310 nan 0.000 0.528 371 V N 3.568 123.262 119.914 -0.367 0.000 2.588 371 V HA 0.508 4.629 4.120 0.001 0.000 0.304 371 V C -0.643 175.148 176.094 -0.504 0.000 1.042 371 V CA -0.653 61.491 62.300 -0.260 0.000 0.877 371 V CB 1.483 33.288 31.823 -0.030 0.000 0.996 371 V HN 0.984 nan 8.190 nan 0.000 0.425 372 H N 1.761 120.915 119.070 0.140 0.000 2.771 372 H HA 0.475 5.032 4.556 0.001 0.000 0.361 372 H C -0.996 174.500 175.328 0.281 0.000 1.108 372 H CA -0.548 55.603 56.048 0.171 0.000 1.201 372 H CB 2.465 32.308 29.762 0.134 0.000 1.681 372 H HN 0.505 nan 8.280 nan 0.000 0.534 373 T N 4.413 119.180 114.554 0.355 0.000 2.842 373 T HA 0.297 4.648 4.350 0.001 0.000 0.308 373 T C 0.576 175.450 174.700 0.290 0.000 1.041 373 T CA -0.647 61.658 62.100 0.342 0.000 0.964 373 T CB 0.165 69.157 68.868 0.205 0.000 0.972 373 T HN 0.298 nan 8.240 nan 0.000 0.460 374 L N 3.169 124.591 121.223 0.332 0.000 2.407 374 L HA 0.377 4.718 4.340 0.001 0.000 0.261 374 L C 1.723 178.762 176.870 0.280 0.000 1.108 374 L CA -0.681 54.337 54.840 0.297 0.000 0.995 374 L CB 0.438 42.740 42.059 0.406 0.000 1.349 374 L HN 0.803 nan 8.230 nan 0.000 0.423 375 G N 1.224 110.151 108.800 0.213 0.000 2.559 375 G HA2 -0.155 3.805 3.960 0.001 0.000 0.216 375 G HA3 -0.155 3.805 3.960 0.001 0.000 0.216 375 G C 1.398 176.329 174.900 0.050 0.000 1.126 375 G CA 0.660 45.875 45.100 0.192 0.000 0.778 375 G HN 0.723 nan 8.290 nan 0.000 0.543 376 G N 0.113 108.925 108.800 0.019 0.000 2.535 376 G HA2 -0.092 3.869 3.960 0.001 0.000 0.218 376 G HA3 -0.092 3.869 3.960 0.001 0.000 0.218 376 G C 1.193 176.018 174.900 -0.124 0.000 1.122 376 G CA 0.019 45.069 45.100 -0.084 0.000 0.769 376 G HN 0.440 nan 8.290 nan 0.000 0.549 377 F N 0.944 120.910 119.950 0.028 0.000 2.797 377 F HA 0.275 4.802 4.527 0.001 0.000 0.302 377 F C 1.835 177.611 175.800 -0.039 0.000 1.130 377 F CA -0.278 57.754 58.000 0.054 0.000 1.387 377 F CB 0.330 39.351 39.000 0.035 0.000 1.107 377 F HN 0.007 nan 8.300 nan 0.000 0.577 378 S N 0.304 115.963 115.700 -0.069 0.000 2.558 378 S HA 0.066 4.536 4.470 0.001 0.000 0.291 378 S C 1.376 175.908 174.600 -0.114 0.000 1.306 378 S CA 0.329 58.416 58.200 -0.188 0.000 1.056 378 S CB 0.839 63.509 63.200 -0.884 0.000 0.836 378 S HN 0.417 nan 8.310 nan 0.000 0.504 379 G N 3.523 112.342 108.800 0.032 0.000 3.189 379 G HA2 0.165 4.125 3.960 0.001 0.000 0.225 379 G HA3 0.165 4.125 3.960 0.001 0.000 0.225 379 G C 0.312 175.215 174.900 0.005 0.000 1.159 379 G CA -0.146 44.943 45.100 -0.018 0.000 0.763 379 G HN 0.780 nan 8.290 nan 0.000 0.549 380 H N 0.109 119.262 119.070 0.138 0.000 2.499 380 H HA 0.540 5.097 4.556 0.001 0.000 0.340 380 H C 0.059 175.469 175.328 0.138 0.000 1.148 380 H CA -0.545 55.595 56.048 0.154 0.000 1.215 380 H CB 1.988 31.948 29.762 0.331 0.000 1.529 380 H HN 0.132 nan 8.280 nan 0.000 0.510 381 A N 2.157 125.081 122.820 0.173 0.000 2.520 381 A HA 0.345 4.666 4.320 0.001 0.000 0.245 381 A C 1.029 178.679 177.584 0.110 0.000 1.072 381 A CA 0.400 52.495 52.037 0.096 0.000 0.761 381 A CB -0.136 18.850 19.000 -0.025 0.000 1.004 381 A HN 0.774 nan 8.150 nan 0.000 0.499 382 G N 0.034 108.832 108.800 -0.004 0.000 2.621 382 G HA2 0.304 4.265 3.960 0.001 0.000 0.271 382 G HA3 0.304 4.265 3.960 0.001 0.000 0.271 382 G C 0.726 175.573 174.900 -0.088 0.000 1.236 382 G CA 0.294 45.207 45.100 -0.311 0.000 0.958 382 G HN 0.923 nan 8.290 nan 0.000 0.512 383 Q N -0.523 119.231 119.800 -0.078 0.000 2.077 383 Q HA -0.225 4.115 4.340 0.001 0.000 0.206 383 Q C 2.140 178.143 176.000 0.006 0.000 0.989 383 Q CA 2.411 58.209 55.803 -0.007 0.000 0.853 383 Q CB -0.194 28.544 28.738 0.000 0.000 0.907 383 Q HN 0.744 nan 8.270 nan 0.000 0.418 384 D N -0.076 120.322 120.400 -0.004 0.000 2.123 384 D HA -0.234 4.407 4.640 0.001 0.000 0.196 384 D C 1.407 177.728 176.300 0.035 0.000 0.992 384 D CA 1.700 55.710 54.000 0.017 0.000 0.833 384 D CB -0.608 40.201 40.800 0.015 0.000 0.954 384 D HN 0.492 nan 8.370 nan 0.000 0.455 385 E N 0.177 120.397 120.200 0.033 0.000 2.106 385 E HA -0.027 4.324 4.350 0.001 0.000 0.192 385 E C 2.520 179.169 176.600 0.082 0.000 0.984 385 E CA 0.272 56.705 56.400 0.056 0.000 0.806 385 E CB -0.056 29.669 29.700 0.041 0.000 0.750 385 E HN 0.328 nan 8.360 nan 0.000 0.458 386 L N 0.682 121.941 121.223 0.059 0.000 2.046 386 L HA -0.200 4.141 4.340 0.001 0.000 0.208 386 L C 2.480 179.427 176.870 0.129 0.000 1.077 386 L CA 0.908 55.797 54.840 0.082 0.000 0.747 386 L CB -0.341 41.748 42.059 0.050 0.000 0.896 386 L HN 0.169 nan 8.230 nan 0.000 0.432 387 L N -0.552 120.723 121.223 0.085 0.000 2.046 387 L HA -0.245 4.095 4.340 0.001 0.000 0.208 387 L C 2.258 179.175 176.870 0.078 0.000 1.077 387 L CA 1.130 56.013 54.840 0.071 0.000 0.747 387 L CB -0.604 41.482 42.059 0.045 0.000 0.896 387 L HN 0.282 nan 8.230 nan 0.000 0.432 388 D N -0.943 119.510 120.400 0.089 0.000 2.097 388 D HA -0.236 4.405 4.640 0.001 0.000 0.195 388 D C 1.752 178.116 176.300 0.108 0.000 0.989 388 D CA 1.129 55.178 54.000 0.081 0.000 0.827 388 D CB -0.270 40.580 40.800 0.084 0.000 0.966 388 D HN 0.369 nan 8.370 nan 0.000 0.456 389 W N 1.042 122.317 121.300 -0.042 0.000 2.374 389 W HA -0.018 4.643 4.660 0.001 0.000 0.288 389 W C 1.703 178.171 176.519 -0.084 0.000 1.218 389 W CA 0.902 58.203 57.345 -0.073 0.000 1.245 389 W CB -0.111 29.294 29.460 -0.091 0.000 1.126 389 W HN -0.074 nan 8.180 nan 0.000 0.545 390 L N 0.787 122.090 121.223 0.134 0.000 2.591 390 L HA 0.026 4.366 4.340 0.001 0.000 0.228 390 L C 1.480 178.313 176.870 -0.061 0.000 1.133 390 L CA -0.073 54.773 54.840 0.010 0.000 0.880 390 L CB -0.845 41.278 42.059 0.106 0.000 1.033 390 L HN -0.196 nan 8.230 nan 0.000 0.450 391 Q N 1.310 121.077 119.800 -0.055 0.000 2.304 391 Q HA -0.059 4.282 4.340 0.001 0.000 0.315 391 Q C 1.210 177.161 176.000 -0.082 0.000 1.075 391 Q CA 1.393 57.164 55.803 -0.053 0.000 0.988 391 Q CB 0.608 29.321 28.738 -0.042 0.000 1.146 391 Q HN 0.477 nan 8.270 nan 0.000 0.383 392 G N 3.984 112.750 108.800 -0.057 0.000 2.184 392 G HA2 -0.226 3.735 3.960 0.001 0.000 0.264 392 G HA3 -0.226 3.735 3.960 0.001 0.000 0.264 392 G C -0.213 174.647 174.900 -0.067 0.000 0.975 392 G CA 0.393 45.457 45.100 -0.059 0.000 0.642 392 G HN 0.607 nan 8.290 nan 0.000 0.536 393 E N 1.047 121.202 120.200 -0.076 0.000 2.180 393 E HA 0.226 4.577 4.350 0.001 0.000 0.283 393 E C -0.932 175.644 176.600 -0.040 0.000 1.061 393 E CA -1.403 54.953 56.400 -0.073 0.000 0.861 393 E CB 1.626 31.271 29.700 -0.092 0.000 1.056 393 E HN 0.283 nan 8.360 nan 0.000 0.407 394 P HA -0.147 nan 4.420 nan 0.000 0.216 394 P C -0.069 177.223 177.300 -0.013 0.000 1.150 394 P CA 1.230 64.317 63.100 -0.021 0.000 0.837 394 P CB 0.572 32.260 31.700 -0.019 0.000 0.786 395 R N -0.717 119.776 120.500 -0.012 0.000 2.575 395 R HA 0.625 4.966 4.340 0.001 0.000 0.293 395 R C -1.247 175.054 176.300 0.002 0.000 0.983 395 R CA -0.765 55.332 56.100 -0.005 0.000 0.887 395 R CB 2.853 33.150 30.300 -0.005 0.000 1.184 395 R HN -0.206 nan 8.270 nan 0.000 0.445 396 V N 2.973 122.893 119.914 0.010 0.000 2.760 396 V HA 0.433 4.554 4.120 0.001 0.000 0.309 396 V C -0.750 175.357 176.094 0.021 0.000 1.077 396 V CA -0.859 61.455 62.300 0.023 0.000 0.910 396 V CB 2.413 34.257 31.823 0.034 0.000 1.008 396 V HN 0.453 nan 8.190 nan 0.000 0.424 397 V N 5.603 125.531 119.914 0.023 0.000 2.378 397 V HA 0.452 4.572 4.120 0.001 0.000 0.288 397 V C -0.593 175.517 176.094 0.027 0.000 1.016 397 V CA -0.593 61.715 62.300 0.013 0.000 0.840 397 V CB 1.583 33.401 31.823 -0.009 0.000 0.994 397 V HN 0.550 nan 8.190 nan 0.000 0.431 398 L N 6.666 127.909 121.223 0.034 0.000 2.305 398 L HA 0.691 5.032 4.340 0.001 0.000 0.281 398 L C 0.208 177.117 176.870 0.064 0.000 1.085 398 L CA 0.357 55.227 54.840 0.050 0.000 0.813 398 L CB 1.448 43.533 42.059 0.045 0.000 1.157 398 L HN 0.626 nan 8.230 nan 0.000 0.436 399 V N -0.352 119.621 119.914 0.099 0.000 3.105 399 V HA 0.579 4.700 4.120 0.001 0.000 0.311 399 V C 0.187 176.413 176.094 0.219 0.000 1.287 399 V CA -0.958 61.435 62.300 0.154 0.000 1.066 399 V CB 1.382 33.323 31.823 0.198 0.000 1.105 399 V HN 0.823 nan 8.190 nan 0.000 0.462 400 H N 0.085 119.219 119.070 0.107 0.000 2.680 400 H HA -0.077 4.480 4.556 0.001 0.000 0.328 400 H C -0.188 175.129 175.328 -0.017 0.000 1.139 400 H CA 1.318 57.408 56.048 0.070 0.000 1.124 400 H CB -1.023 28.812 29.762 0.122 0.000 1.584 400 H HN 1.900 nan 8.280 nan 0.000 0.410 401 G N 1.606 110.393 108.800 -0.022 0.000 2.519 401 G HA2 0.332 4.293 3.960 0.001 0.000 0.292 401 G HA3 0.332 4.293 3.960 0.001 0.000 0.292 401 G C -1.150 173.704 174.900 -0.076 0.000 1.507 401 G CA -0.711 44.347 45.100 -0.071 0.000 0.806 401 G HN 0.251 nan 8.290 nan 0.000 0.523 402 E N 0.424 120.561 120.200 -0.106 0.000 2.384 402 E HA 0.084 4.435 4.350 0.001 0.000 0.266 402 E C 1.042 177.619 176.600 -0.039 0.000 1.012 402 E CA -0.026 56.332 56.400 -0.069 0.000 0.901 402 E CB 1.982 31.636 29.700 -0.077 0.000 0.967 402 E HN 0.682 nan 8.360 nan 0.000 0.435 403 E N 3.035 123.223 120.200 -0.019 0.000 2.086 403 E HA -0.368 3.983 4.350 0.001 0.000 0.205 403 E C 1.729 178.324 176.600 -0.008 0.000 1.027 403 E CA 1.956 58.352 56.400 -0.007 0.000 0.830 403 E CB 0.103 29.802 29.700 -0.002 0.000 0.751 403 E HN 0.641 nan 8.360 nan 0.000 0.456 404 E N -0.252 119.942 120.200 -0.011 0.000 2.153 404 E HA -0.212 4.139 4.350 0.001 0.000 0.194 404 E C 1.872 178.465 176.600 -0.012 0.000 0.988 404 E CA 1.038 57.433 56.400 -0.008 0.000 0.811 404 E CB 0.169 29.866 29.700 -0.005 0.000 0.746 404 E HN 0.092 nan 8.360 nan 0.000 0.466 405 K N 0.228 120.611 120.400 -0.029 0.000 2.062 405 K HA -0.116 4.205 4.320 0.001 0.000 0.205 405 K C 2.186 178.773 176.600 -0.021 0.000 1.051 405 K CA 0.513 56.777 56.287 -0.039 0.000 0.941 405 K CB -0.379 32.065 32.500 -0.093 0.000 0.719 405 K HN 0.174 nan 8.250 nan 0.000 0.440 406 L N 1.000 122.213 121.223 -0.015 0.000 2.046 406 L HA -0.141 4.200 4.340 0.001 0.000 0.208 406 L C 2.278 179.153 176.870 0.008 0.000 1.077 406 L CA 1.181 56.023 54.840 0.003 0.000 0.747 406 L CB -0.845 41.221 42.059 0.011 0.000 0.896 406 L HN 0.050 nan 8.230 nan 0.000 0.432 407 L N -0.688 120.538 121.223 0.005 0.000 2.046 407 L HA -0.134 4.206 4.340 0.001 0.000 0.208 407 L C 2.598 179.473 176.870 0.009 0.000 1.077 407 L CA 1.972 56.817 54.840 0.008 0.000 0.747 407 L CB -1.496 40.567 42.059 0.006 0.000 0.896 407 L HN 0.270 nan 8.230 nan 0.000 0.432 408 A N -1.159 121.665 122.820 0.007 0.000 1.933 408 A HA -0.189 4.132 4.320 0.001 0.000 0.218 408 A C 2.348 179.940 177.584 0.013 0.000 1.175 408 A CA 1.643 53.686 52.037 0.010 0.000 0.628 408 A CB -0.678 18.328 19.000 0.009 0.000 0.814 408 A HN 0.398 nan 8.150 nan 0.000 0.444 409 L N -0.737 120.494 121.223 0.014 0.000 2.044 409 L HA -0.067 4.274 4.340 0.001 0.000 0.205 409 L C 2.559 179.442 176.870 0.021 0.000 1.075 409 L CA 1.612 56.465 54.840 0.020 0.000 0.747 409 L CB -0.897 41.176 42.059 0.024 0.000 0.903 409 L HN 0.454 nan 8.230 nan 0.000 0.435 410 G N -0.124 108.687 108.800 0.019 0.000 2.440 410 G HA2 -0.344 3.617 3.960 0.001 0.000 0.218 410 G HA3 -0.344 3.617 3.960 0.001 0.000 0.218 410 G C 1.651 176.559 174.900 0.015 0.000 1.154 410 G CA 0.987 46.098 45.100 0.018 0.000 0.767 410 G HN 0.348 nan 8.290 nan 0.000 0.552 411 K N 0.026 120.434 120.400 0.013 0.000 2.044 411 K HA -0.033 4.287 4.320 0.001 0.000 0.210 411 K C 2.512 179.119 176.600 0.012 0.000 1.049 411 K CA 1.179 57.473 56.287 0.012 0.000 0.927 411 K CB -0.297 32.210 32.500 0.011 0.000 0.713 411 K HN 0.359 nan 8.250 nan 0.000 0.443 412 L N 0.801 122.033 121.223 0.014 0.000 2.093 412 L HA -0.179 4.162 4.340 0.001 0.000 0.208 412 L C 2.431 179.310 176.870 0.014 0.000 1.085 412 L CA 0.883 55.732 54.840 0.015 0.000 0.755 412 L CB -0.384 41.685 42.059 0.017 0.000 0.904 412 L HN 0.232 nan 8.230 nan 0.000 0.435 413 L N -0.303 120.930 121.223 0.017 0.000 2.056 413 L HA -0.166 4.174 4.340 0.001 0.000 0.207 413 L C 2.926 179.803 176.870 0.010 0.000 1.078 413 L CA 1.138 55.987 54.840 0.016 0.000 0.749 413 L CB -0.738 41.333 42.059 0.020 0.000 0.901 413 L HN 0.221 nan 8.230 nan 0.000 0.433 414 A N 0.129 122.955 122.820 0.010 0.000 1.908 414 A HA -0.186 4.135 4.320 0.001 0.000 0.218 414 A C 2.242 179.830 177.584 0.006 0.000 1.181 414 A CA 1.533 53.575 52.037 0.007 0.000 0.627 414 A CB -0.760 18.245 19.000 0.007 0.000 0.818 414 A HN 0.373 nan 8.150 nan 0.000 0.445 415 L N -1.136 120.091 121.223 0.007 0.000 2.201 415 L HA -0.097 4.243 4.340 0.001 0.000 0.212 415 L C 2.423 179.297 176.870 0.005 0.000 1.105 415 L CA 0.813 55.657 54.840 0.006 0.000 0.775 415 L CB -0.281 41.783 42.059 0.007 0.000 0.913 415 L HN 0.320 nan 8.230 nan 0.000 0.440 416 R N 0.023 120.526 120.500 0.005 0.000 2.313 416 R HA 0.076 4.417 4.340 0.001 0.000 0.199 416 R C 1.185 177.486 176.300 0.000 0.000 0.958 416 R CA 0.642 56.744 56.100 0.003 0.000 1.047 416 R CB 0.090 30.392 30.300 0.004 0.000 0.955 416 R HN 0.448 nan 8.270 nan 0.000 0.481 417 G N 1.341 110.142 108.800 0.001 0.000 2.136 417 G HA2 -0.297 3.664 3.960 0.001 0.000 0.242 417 G HA3 -0.297 3.664 3.960 0.001 0.000 0.242 417 G C -0.115 174.784 174.900 -0.002 0.000 0.989 417 G CA -0.098 45.001 45.100 -0.001 0.000 0.682 417 G HN 0.366 nan 8.290 nan 0.000 0.522 418 Q N 0.254 120.053 119.800 -0.001 0.000 2.241 418 Q HA 0.460 4.800 4.340 0.001 0.000 0.254 418 Q C -0.088 175.913 176.000 0.001 0.000 0.917 418 Q CA -0.447 55.355 55.803 -0.002 0.000 0.919 418 Q CB 1.245 29.983 28.738 -0.000 0.000 1.237 418 Q HN 0.565 nan 8.270 nan 0.000 0.434 419 E N 1.408 121.608 120.200 -0.000 0.000 2.290 419 E HA 0.294 4.645 4.350 0.001 0.000 0.277 419 E C -1.066 175.537 176.600 0.005 0.000 1.035 419 E CA -0.222 56.179 56.400 0.001 0.000 0.873 419 E CB 1.463 31.163 29.700 -0.001 0.000 1.029 419 E HN 0.159 nan 8.360 nan 0.000 0.419 420 V N 2.437 122.355 119.914 0.007 0.000 2.925 420 V HA 0.634 4.755 4.120 0.001 0.000 0.311 420 V C -1.081 175.019 176.094 0.010 0.000 1.104 420 V CA -0.297 62.009 62.300 0.011 0.000 0.954 420 V CB 2.258 34.090 31.823 0.015 0.000 1.022 420 V HN 0.837 nan 8.190 nan 0.000 0.427 421 S N 5.570 121.277 115.700 0.011 0.000 2.651 421 S HA 0.808 5.278 4.470 0.001 0.000 0.279 421 S C -1.646 172.963 174.600 0.015 0.000 1.148 421 S CA -0.824 57.382 58.200 0.010 0.000 0.837 421 S CB 1.785 64.988 63.200 0.005 0.000 1.138 421 S HN 0.698 nan 8.310 nan 0.000 0.478 422 L N 2.234 123.466 121.223 0.016 0.000 2.262 422 L HA 0.705 5.045 4.340 0.001 0.000 0.288 422 L C 0.794 177.679 176.870 0.025 0.000 1.035 422 L CA -0.173 54.681 54.840 0.024 0.000 0.820 422 L CB 0.725 42.798 42.059 0.024 0.000 1.204 422 L HN 1.046 nan 8.230 nan 0.000 0.424 423 A N 5.240 128.077 122.820 0.028 0.000 2.586 423 A HA 0.303 4.623 4.320 0.001 0.000 0.231 423 A C 0.278 177.886 177.584 0.041 0.000 1.055 423 A CA 0.272 52.322 52.037 0.023 0.000 0.756 423 A CB 0.045 19.064 19.000 0.032 0.000 0.988 423 A HN 0.712 nan 8.150 nan 0.000 0.509 424 R N 0.594 121.108 120.500 0.023 0.000 2.534 424 R HA 0.331 4.672 4.340 0.001 0.000 0.301 424 R C -0.862 175.470 176.300 0.052 0.000 0.961 424 R CA -0.612 55.522 56.100 0.055 0.000 0.871 424 R CB 1.556 31.877 30.300 0.036 0.000 1.170 424 R HN 0.690 nan 8.270 nan 0.000 0.446 425 F N 2.186 122.123 119.950 -0.022 0.000 2.604 425 F HA -0.012 4.515 4.527 0.001 0.000 0.393 425 F C 1.442 177.180 175.800 -0.104 0.000 1.043 425 F CA 2.209 60.187 58.000 -0.036 0.000 1.227 425 F CB 0.461 39.483 39.000 0.037 0.000 1.016 425 F HN 0.925 nan 8.300 nan 0.000 0.556 426 G N 3.758 111.984 108.800 -0.957 0.000 2.196 426 G HA2 -0.331 3.630 3.960 0.001 0.000 0.268 426 G HA3 -0.331 3.630 3.960 0.001 0.000 0.268 426 G C 0.077 174.744 174.900 -0.390 0.000 0.975 426 G CA 0.384 45.000 45.100 -0.805 0.000 0.648 426 G HN 0.689 nan 8.290 nan 0.000 0.538 427 E N 0.899 120.931 120.200 -0.280 0.000 2.055 427 E HA 0.484 4.835 4.350 0.001 0.000 0.274 427 E C 0.951 177.448 176.600 -0.171 0.000 0.949 427 E CA -0.134 56.175 56.400 -0.151 0.000 0.775 427 E CB 0.950 30.609 29.700 -0.068 0.000 1.097 427 E HN 0.368 nan 8.360 nan 0.000 0.404 428 G N 1.879 110.593 108.800 -0.144 0.000 2.432 428 G HA2 0.243 4.204 3.960 0.001 0.000 0.239 428 G HA3 0.243 4.204 3.960 0.001 0.000 0.239 428 G C -0.169 174.683 174.900 -0.079 0.000 1.291 428 G CA -0.301 44.727 45.100 -0.119 0.000 0.863 428 G HN 0.321 nan 8.290 nan 0.000 0.560 429 V N 4.965 124.835 119.914 -0.074 0.000 2.409 429 V HA 0.371 4.491 4.120 0.001 0.000 0.291 429 V C -1.871 174.201 176.094 -0.038 0.000 1.020 429 V CA -1.599 60.670 62.300 -0.050 0.000 0.848 429 V CB 2.080 33.873 31.823 -0.051 0.000 0.990 429 V HN 0.730 nan 8.190 nan 0.000 0.430 430 P HA 0.255 nan 4.420 nan 0.000 0.276 430 P C -0.398 176.893 177.300 -0.015 0.000 1.235 430 P CA 0.166 63.254 63.100 -0.019 0.000 0.772 430 P CB 1.697 33.388 31.700 -0.014 0.000 0.871 431 V N 0.000 119.907 119.914 -0.012 0.000 2.409 431 V HA 0.000 4.121 4.120 0.001 0.000 0.244 431 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 431 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556