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 2ji6_1_A DATA FIRST_RESID 7 DATA SEQUENCE VELTDGFHVL IDALKMNDID TMYGVVGIPI TNLARMWQDD GQRFYSFRHE DATA SEQUENCE QHAGYAASIA GYIEGKPGVC LTVSAPGFLN GVTSLAHATT NCFPMILLSG DATA SEQUENCE SSEREIVDLQ QGDYEEMDQM NVARPHCKAS FRINSIKDIP IGIARAVRTA DATA SEQUENCE VSGRPGGVYV DLPAKLFGQT ISVEEANKLL FKPIDPAPAQ IPAEDAIARA DATA SEQUENCE ADLIKNAKRP VIMLGKGAAY AQCDDEIRAL VEETGIPFLP MGMAKGLLPD DATA SEQUENCE NHPQSAAATR AFALAQCDVC VLIGARLNWL MQHGKGKTWG DELKKYVQID DATA SEQUENCE IQANEMDSNQ PIAAPVVGDI KSAVSLLRKA LKGAPKADAE WTGALKAKVD DATA SEQUENCE GNKAKLAGKM TAETPSGMMN YSNSLGVVRD FMLANPDISL VNEGANALDN DATA SEQUENCE TRMIVDMLKP RKRLDSGTWG VMGIGMGYCV AAAAVTGKPV IAVEGDSAFG DATA SEQUENCE FSGMELETIC RYNLPVTVII MNNGGIYKGN EADPQPGVIS CTRLTRGRYD DATA SEQUENCE MMMEAFGGKG YVANTPAELK AALEEAVASG KPCLINAMID PDAGVESGRI DATA SEQUENCE KSLNVVSKV 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.098 176.094 0.007 0.000 1.182 7 V CA 0.000 62.304 62.300 0.006 0.000 1.235 7 V CB 0.000 31.828 31.823 0.008 0.000 1.184 8 E N 4.587 124.790 120.200 0.005 0.000 2.105 8 E HA 0.530 4.880 4.350 0.001 0.000 0.285 8 E C -0.997 175.607 176.600 0.007 0.000 1.055 8 E CA -0.392 56.010 56.400 0.002 0.000 0.843 8 E CB 0.818 30.515 29.700 -0.004 0.000 1.067 8 E HN 0.602 nan 8.360 nan 0.000 0.398 9 L N 3.411 124.641 121.223 0.013 0.000 2.357 9 L HA 0.372 4.712 4.340 0.001 0.000 0.273 9 L C 0.652 177.539 176.870 0.027 0.000 1.080 9 L CA -0.370 54.485 54.840 0.025 0.000 0.803 9 L CB 1.690 43.770 42.059 0.035 0.000 1.174 9 L HN 0.504 nan 8.230 nan 0.000 0.443 10 T N -0.104 114.478 114.554 0.047 0.000 2.883 10 T HA 0.528 4.878 4.350 0.001 0.000 0.284 10 T C -1.346 173.439 174.700 0.141 0.000 1.041 10 T CA -0.555 61.592 62.100 0.078 0.000 1.007 10 T CB 1.710 70.615 68.868 0.063 0.000 1.220 10 T HN 0.804 nan 8.240 nan 0.000 0.552 11 D N -0.954 119.592 120.400 0.243 0.000 2.614 11 D HA 0.441 5.082 4.640 0.001 0.000 0.264 11 D C 1.318 177.742 176.300 0.207 0.000 1.092 11 D CA -0.199 53.934 54.000 0.220 0.000 1.071 11 D CB 0.483 41.449 40.800 0.276 0.000 1.443 11 D HN 0.657 nan 8.370 nan 0.000 0.528 12 G N -0.358 108.502 108.800 0.101 0.000 2.440 12 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 12 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 12 G C 1.174 176.164 174.900 0.151 0.000 1.154 12 G CA 0.568 45.690 45.100 0.037 0.000 0.767 12 G HN 0.377 nan 8.290 nan 0.000 0.552 13 F N 0.864 120.954 119.950 0.233 0.000 2.063 13 F HA -0.159 4.368 4.527 0.000 0.000 0.298 13 F C 2.639 178.450 175.800 0.019 0.000 1.105 13 F CA 2.031 60.083 58.000 0.087 0.000 1.215 13 F CB -0.862 38.032 39.000 -0.177 0.000 0.972 13 F HN 0.248 nan 8.300 nan 0.000 0.483 14 H N -1.642 117.627 119.070 0.332 0.000 2.403 14 H HA -0.026 4.530 4.556 0.001 0.000 0.298 14 H C 2.233 177.661 175.328 0.167 0.000 1.059 14 H CA 1.122 57.299 56.048 0.215 0.000 1.363 14 H CB -0.261 29.595 29.762 0.157 0.000 1.410 14 H HN 0.009 nan 8.280 nan 0.000 0.528 15 V N 0.724 120.794 119.914 0.259 0.000 2.343 15 V HA -0.220 3.901 4.120 0.001 0.000 0.247 15 V C 2.303 178.486 176.094 0.147 0.000 1.051 15 V CA 1.408 63.806 62.300 0.164 0.000 1.036 15 V CB -0.501 31.389 31.823 0.111 0.000 0.654 15 V HN 0.276 nan 8.190 nan 0.000 0.451 16 L N 0.076 121.397 121.223 0.163 0.000 1.994 16 L HA -0.123 4.218 4.340 0.001 0.000 0.208 16 L C 2.201 179.192 176.870 0.202 0.000 1.071 16 L CA 1.823 56.755 54.840 0.154 0.000 0.745 16 L CB -0.595 41.577 42.059 0.189 0.000 0.892 16 L HN 0.199 nan 8.230 nan 0.000 0.431 17 I N -0.053 120.685 120.570 0.279 0.000 2.113 17 I HA -0.377 3.793 4.170 0.001 0.000 0.242 17 I C 2.105 178.417 176.117 0.326 0.000 1.064 17 I CA 1.821 63.366 61.300 0.408 0.000 1.320 17 I CB -0.552 37.674 38.000 0.376 0.000 1.028 17 I HN 0.339 nan 8.210 nan 0.000 0.406 18 D N 0.646 121.178 120.400 0.220 0.000 2.144 18 D HA -0.123 4.518 4.640 0.001 0.000 0.200 18 D C 2.235 178.599 176.300 0.107 0.000 0.978 18 D CA 1.513 55.600 54.000 0.145 0.000 0.833 18 D CB -0.221 40.649 40.800 0.117 0.000 0.961 18 D HN 0.391 nan 8.370 nan 0.000 0.470 19 A N 0.688 123.564 122.820 0.093 0.000 1.902 19 A HA -0.106 4.214 4.320 0.001 0.000 0.217 19 A C 2.391 179.997 177.584 0.037 0.000 1.181 19 A CA 0.831 52.881 52.037 0.022 0.000 0.623 19 A CB -0.753 18.247 19.000 -0.000 0.000 0.818 19 A HN 0.185 nan 8.150 nan 0.000 0.443 20 L N -0.765 120.529 121.223 0.118 0.000 2.046 20 L HA -0.214 4.126 4.340 0.001 0.000 0.208 20 L C 2.606 179.595 176.870 0.199 0.000 1.077 20 L CA 1.812 56.744 54.840 0.153 0.000 0.747 20 L CB -0.387 41.785 42.059 0.190 0.000 0.896 20 L HN 0.346 nan 8.230 nan 0.000 0.432 21 K N -0.550 119.990 120.400 0.232 0.000 2.057 21 K HA -0.202 4.119 4.320 0.001 0.000 0.206 21 K C 2.094 178.736 176.600 0.070 0.000 1.050 21 K CA 1.503 57.878 56.287 0.147 0.000 0.935 21 K CB -0.202 32.349 32.500 0.086 0.000 0.715 21 K HN 0.127 nan 8.250 nan 0.000 0.439 22 M N 1.406 121.031 119.600 0.042 0.000 2.195 22 M HA -0.174 4.306 4.480 0.001 0.000 0.260 22 M C 0.687 176.974 176.300 -0.020 0.000 1.066 22 M CA 1.571 56.868 55.300 -0.005 0.000 1.089 22 M CB 0.101 32.673 32.600 -0.046 0.000 1.377 22 M HN 0.044 nan 8.290 nan 0.000 0.411 23 N N 0.583 119.277 118.700 -0.011 0.000 2.322 23 N HA -0.009 4.731 4.740 0.001 0.000 0.216 23 N C -0.644 174.887 175.510 0.035 0.000 1.144 23 N CA 0.377 53.422 53.050 -0.008 0.000 0.830 23 N CB 0.093 38.564 38.487 -0.026 0.000 1.034 23 N HN 0.342 nan 8.380 nan 0.000 0.484 24 D N 0.416 120.845 120.400 0.049 0.000 2.981 24 D HA -0.154 4.486 4.640 0.001 0.000 0.223 24 D C -0.231 176.129 176.300 0.099 0.000 1.151 24 D CA 0.696 54.732 54.000 0.061 0.000 0.827 24 D CB -1.036 39.788 40.800 0.040 0.000 1.101 24 D HN 0.328 nan 8.370 nan 0.000 0.426 25 I N 1.496 122.159 120.570 0.154 0.000 2.325 25 I HA 0.131 4.301 4.170 0.001 0.000 0.291 25 I C 1.275 177.609 176.117 0.361 0.000 1.019 25 I CA 0.080 61.523 61.300 0.237 0.000 1.302 25 I CB 1.290 39.427 38.000 0.228 0.000 1.401 25 I HN -0.102 nan 8.210 nan 0.000 0.485 26 D N 2.025 122.612 120.400 0.311 0.000 2.520 26 D HA 0.081 4.722 4.640 0.001 0.000 0.223 26 D C -0.045 176.481 176.300 0.376 0.000 1.186 26 D CA -0.043 54.100 54.000 0.239 0.000 0.821 26 D CB 0.647 41.482 40.800 0.058 0.000 1.072 26 D HN 0.322 nan 8.370 nan 0.000 0.518 27 T N 0.561 115.382 114.554 0.444 0.000 2.971 27 T HA 0.517 4.867 4.350 0.001 0.000 0.304 27 T C -0.651 174.061 174.700 0.021 0.000 1.038 27 T CA -0.586 61.659 62.100 0.241 0.000 1.007 27 T CB 1.905 70.791 68.868 0.031 0.000 1.055 27 T HN -0.027 nan 8.240 nan 0.000 0.451 28 M N 2.579 122.095 119.600 -0.139 0.000 2.530 28 M HA 0.559 5.039 4.480 0.001 0.000 0.307 28 M C -1.644 174.239 176.300 -0.695 0.000 1.161 28 M CA -0.883 54.180 55.300 -0.395 0.000 0.903 28 M CB 2.388 34.745 32.600 -0.406 0.000 1.711 28 M HN 0.609 nan 8.290 nan 0.000 0.451 29 Y N 0.080 120.222 120.300 -0.262 0.000 2.409 29 Y HA 0.833 5.383 4.550 0.001 0.000 0.343 29 Y C 0.501 176.206 175.900 -0.324 0.000 0.973 29 Y CA -0.493 57.468 58.100 -0.232 0.000 1.064 29 Y CB 2.176 40.544 38.460 -0.153 0.000 1.207 29 Y HN 0.843 nan 8.280 nan 0.000 0.452 30 G N 0.357 109.106 108.800 -0.084 0.000 2.348 30 G HA2 0.516 4.476 3.960 0.001 0.000 0.296 30 G HA3 0.516 4.476 3.960 0.001 0.000 0.296 30 G C -2.275 172.866 174.900 0.401 0.000 1.258 30 G CA -0.737 44.450 45.100 0.145 0.000 0.868 30 G HN 0.438 nan 8.290 nan 0.000 0.488 31 V N 0.779 120.925 119.914 0.387 0.000 2.668 31 V HA 0.622 4.743 4.120 0.001 0.000 0.304 31 V C 0.718 176.966 176.094 0.256 0.000 1.071 31 V CA -0.367 62.133 62.300 0.334 0.000 0.894 31 V CB 1.064 33.008 31.823 0.201 0.000 1.008 31 V HN 1.377 nan 8.190 nan 0.000 0.425 32 V N 2.105 122.135 119.914 0.194 0.000 3.596 32 V HA 1.097 5.218 4.120 0.001 0.000 0.288 32 V C 0.568 176.704 176.094 0.070 0.000 1.021 32 V CA 0.511 62.853 62.300 0.069 0.000 1.020 32 V CB 1.100 32.897 31.823 -0.045 0.000 1.243 32 V HN 1.924 nan 8.190 nan 0.000 0.433 33 G N -0.667 108.157 108.800 0.041 0.000 2.361 33 G HA2 0.145 4.105 3.960 0.001 0.000 0.331 33 G HA3 0.145 4.105 3.960 0.001 0.000 0.331 33 G C -1.059 173.883 174.900 0.071 0.000 1.324 33 G CA -0.599 44.541 45.100 0.066 0.000 0.984 33 G HN 1.006 nan 8.290 nan 0.000 0.586 34 I N 1.841 122.475 120.570 0.106 0.000 2.648 34 I HA 0.263 4.433 4.170 0.001 0.000 0.284 34 I C -1.205 175.027 176.117 0.192 0.000 1.153 34 I CA -1.280 60.083 61.300 0.104 0.000 1.426 34 I CB 1.489 39.505 38.000 0.027 0.000 1.381 34 I HN 0.328 nan 8.210 nan 0.000 0.571 35 P HA 0.180 nan 4.420 nan 0.000 0.262 35 P C 0.236 177.561 177.300 0.040 0.000 1.651 35 P CA 0.046 63.217 63.100 0.118 0.000 1.119 35 P CB -0.106 31.706 31.700 0.187 0.000 1.552 36 I N -5.641 114.929 120.570 0.000 0.000 4.147 36 I HA 0.295 4.465 4.170 0.001 0.000 0.329 36 I C 1.269 177.306 176.117 -0.133 0.000 1.424 36 I CA -0.035 61.194 61.300 -0.118 0.000 1.127 36 I CB -1.001 36.975 38.000 -0.040 0.000 1.128 36 I HN -0.389 nan 8.210 nan 0.000 0.417 37 T N 1.183 115.675 114.554 -0.102 0.000 2.746 37 T HA -0.090 4.260 4.350 0.001 0.000 0.267 37 T C 1.661 176.230 174.700 -0.219 0.000 1.039 37 T CA 1.989 64.000 62.100 -0.147 0.000 1.142 37 T CB -0.376 68.435 68.868 -0.095 0.000 0.866 37 T HN 0.431 nan 8.240 nan 0.000 0.444 38 N N 1.085 119.641 118.700 -0.240 0.000 2.396 38 N HA 0.024 4.765 4.740 0.001 0.000 0.180 38 N C 1.730 176.927 175.510 -0.521 0.000 1.028 38 N CA 0.356 53.161 53.050 -0.407 0.000 0.893 38 N CB -0.298 37.861 38.487 -0.547 0.000 0.967 38 N HN 0.243 nan 8.380 nan 0.000 0.440 39 L N 1.406 122.434 121.223 -0.325 0.000 2.005 39 L HA -0.028 4.312 4.340 0.001 0.000 0.207 39 L C 2.216 179.002 176.870 -0.140 0.000 1.072 39 L CA 1.511 56.261 54.840 -0.151 0.000 0.744 39 L CB -0.901 41.083 42.059 -0.124 0.000 0.895 39 L HN 0.083 nan 8.230 nan 0.000 0.433 40 A N -0.241 122.415 122.820 -0.274 0.000 1.892 40 A HA -0.272 4.049 4.320 0.001 0.000 0.218 40 A C 2.422 179.855 177.584 -0.252 0.000 1.188 40 A CA 2.151 53.900 52.037 -0.480 0.000 0.631 40 A CB -0.663 17.773 19.000 -0.939 0.000 0.822 40 A HN 0.527 nan 8.150 nan 0.000 0.447 41 R N -1.293 119.066 120.500 -0.235 0.000 2.083 41 R HA -0.109 4.231 4.340 0.001 0.000 0.237 41 R C 2.303 178.545 176.300 -0.096 0.000 1.137 41 R CA 1.925 57.932 56.100 -0.156 0.000 0.951 41 R CB -0.390 29.803 30.300 -0.178 0.000 0.851 41 R HN 0.575 nan 8.270 nan 0.000 0.434 42 M N -0.791 118.734 119.600 -0.125 0.000 2.254 42 M HA -0.158 4.322 4.480 0.001 0.000 0.265 42 M C 2.081 178.412 176.300 0.051 0.000 1.066 42 M CA 1.180 56.429 55.300 -0.084 0.000 1.123 42 M CB -0.282 32.185 32.600 -0.222 0.000 1.388 42 M HN 0.370 nan 8.290 nan 0.000 0.425 43 W N 1.833 123.082 121.300 -0.085 0.000 2.317 43 W HA -0.293 4.367 4.660 0.000 0.000 0.318 43 W C 1.908 178.426 176.519 -0.002 0.000 1.227 43 W CA 1.896 59.235 57.345 -0.010 0.000 1.269 43 W CB -0.359 29.123 29.460 0.036 0.000 1.155 43 W HN 0.318 nan 8.180 nan 0.000 0.484 44 Q N -0.244 119.601 119.800 0.075 0.000 2.079 44 Q HA -0.201 4.139 4.340 0.001 0.000 0.200 44 Q C 1.707 177.665 176.000 -0.071 0.000 0.974 44 Q CA 1.653 57.441 55.803 -0.024 0.000 0.840 44 Q CB -0.515 28.243 28.738 0.034 0.000 0.898 44 Q HN 0.179 nan 8.270 nan 0.000 0.430 45 D N 0.812 121.182 120.400 -0.049 0.000 2.190 45 D HA -0.174 4.467 4.640 0.001 0.000 0.200 45 D C 1.228 177.492 176.300 -0.061 0.000 0.992 45 D CA 1.288 55.260 54.000 -0.047 0.000 0.854 45 D CB -0.192 40.588 40.800 -0.033 0.000 0.936 45 D HN 0.251 nan 8.370 nan 0.000 0.462 46 D N -1.253 119.092 120.400 -0.091 0.000 2.234 46 D HA 0.022 4.663 4.640 0.001 0.000 0.205 46 D C 1.304 177.501 176.300 -0.171 0.000 0.962 46 D CA 1.449 55.377 54.000 -0.119 0.000 0.855 46 D CB 0.194 40.904 40.800 -0.149 0.000 0.951 46 D HN 0.247 nan 8.370 nan 0.000 0.500 47 G N -0.548 108.124 108.800 -0.213 0.000 2.164 47 G HA2 -0.164 3.796 3.960 0.001 0.000 0.154 47 G HA3 -0.164 3.796 3.960 0.001 0.000 0.154 47 G C -0.113 174.619 174.900 -0.280 0.000 1.014 47 G CA -0.316 44.668 45.100 -0.195 0.000 0.683 47 G HN 0.197 nan 8.290 nan 0.000 0.500 48 Q N 0.148 119.651 119.800 -0.495 0.000 2.193 48 Q HA 0.571 4.911 4.340 0.001 0.000 0.246 48 Q C 0.428 176.221 176.000 -0.344 0.000 0.959 48 Q CA -0.498 54.910 55.803 -0.658 0.000 0.904 48 Q CB 1.027 28.709 28.738 -1.759 0.000 1.238 48 Q HN 0.466 nan 8.270 nan 0.000 0.469 49 R N 0.688 121.146 120.500 -0.070 0.000 2.308 49 R HA 0.413 4.753 4.340 0.001 0.000 0.305 49 R C -0.702 175.753 176.300 0.258 0.000 1.053 49 R CA -0.229 55.871 56.100 0.001 0.000 0.957 49 R CB 0.535 30.786 30.300 -0.081 0.000 1.022 49 R HN 0.396 nan 8.270 nan 0.000 0.461 50 F N 3.119 123.072 119.950 0.004 0.000 2.477 50 F HA 0.320 4.848 4.527 0.001 0.000 0.335 50 F C -1.112 174.565 175.800 -0.204 0.000 1.130 50 F CA -0.894 57.132 58.000 0.043 0.000 0.948 50 F CB 0.961 40.068 39.000 0.179 0.000 1.154 50 F HN 0.388 nan 8.300 nan 0.000 0.439 51 Y N 3.781 123.808 120.300 -0.456 0.000 2.385 51 Y HA 0.352 4.903 4.550 0.001 0.000 0.341 51 Y C 0.487 176.372 175.900 -0.025 0.000 0.965 51 Y CA -0.366 57.530 58.100 -0.339 0.000 1.180 51 Y CB 1.304 39.598 38.460 -0.277 0.000 1.139 51 Y HN 0.415 nan 8.280 nan 0.000 0.502 52 S N 4.236 120.219 115.700 0.473 0.000 2.513 52 S HA 0.482 4.952 4.470 0.001 0.000 0.276 52 S C -0.603 174.236 174.600 0.397 0.000 1.254 52 S CA -0.443 58.099 58.200 0.569 0.000 1.053 52 S CB 0.199 63.713 63.200 0.523 0.000 0.958 52 S HN 0.385 nan 8.310 nan 0.000 0.491 53 F N 1.513 121.635 119.950 0.286 0.000 2.585 53 F HA 0.540 5.067 4.527 0.000 0.000 0.350 53 F C 1.625 177.541 175.800 0.193 0.000 1.074 53 F CA -0.974 57.170 58.000 0.240 0.000 1.032 53 F CB 0.740 39.871 39.000 0.219 0.000 1.330 53 F HN 0.322 nan 8.300 nan 0.000 0.495 54 R N -0.344 120.381 120.500 0.375 0.000 2.280 54 R HA 0.108 4.448 4.340 0.001 0.000 0.195 54 R C -0.343 176.140 176.300 0.305 0.000 0.935 54 R CA 0.451 56.704 56.100 0.256 0.000 1.033 54 R CB -0.443 29.952 30.300 0.159 0.000 0.964 54 R HN 0.474 nan 8.270 nan 0.000 0.489 55 H N -0.276 118.940 119.070 0.242 0.000 3.086 55 H HA 0.154 4.711 4.556 0.001 0.000 0.353 55 H C -0.205 175.123 175.328 0.001 0.000 1.134 55 H CA -0.229 55.879 56.048 0.100 0.000 1.248 55 H CB 1.730 31.541 29.762 0.083 0.000 1.878 55 H HN -0.213 nan 8.280 nan 0.000 0.527 56 E N 2.144 122.320 120.200 -0.040 0.000 2.204 56 E HA -0.176 4.174 4.350 0.001 0.000 0.195 56 E C 1.887 178.395 176.600 -0.155 0.000 0.990 56 E CA 1.213 57.570 56.400 -0.072 0.000 0.821 56 E CB 0.239 29.875 29.700 -0.107 0.000 0.750 56 E HN 0.607 nan 8.360 nan 0.000 0.477 57 Q N -0.013 119.733 119.800 -0.089 0.000 2.135 57 Q HA -0.230 4.110 4.340 0.001 0.000 0.204 57 Q C 1.493 177.105 176.000 -0.647 0.000 0.981 57 Q CA 1.419 56.933 55.803 -0.482 0.000 0.856 57 Q CB 0.033 28.389 28.738 -0.635 0.000 0.902 57 Q HN 0.474 nan 8.270 nan 0.000 0.425 58 H N -0.693 118.288 119.070 -0.148 0.000 2.436 58 H HA 0.095 4.652 4.556 0.001 0.000 0.294 58 H C 1.973 176.984 175.328 -0.528 0.000 1.048 58 H CA 1.040 57.028 56.048 -0.101 0.000 1.353 58 H CB -0.311 29.532 29.762 0.136 0.000 1.414 58 H HN 0.429 nan 8.280 nan 0.000 0.536 59 A N 1.070 123.387 122.820 -0.838 0.000 1.940 59 A HA -0.115 4.205 4.320 0.001 0.000 0.219 59 A C 2.793 180.028 177.584 -0.583 0.000 1.176 59 A CA 1.713 52.982 52.037 -1.281 0.000 0.631 59 A CB -1.107 17.470 19.000 -0.704 0.000 0.814 59 A HN 0.466 nan 8.150 nan 0.000 0.446 60 G N -1.922 106.647 108.800 -0.385 0.000 2.394 60 G HA2 -0.122 3.838 3.960 0.001 0.000 0.215 60 G HA3 -0.122 3.838 3.960 0.001 0.000 0.215 60 G C 1.417 176.238 174.900 -0.131 0.000 1.165 60 G CA 1.013 45.963 45.100 -0.250 0.000 0.784 60 G HN 0.488 nan 8.290 nan 0.000 0.535 61 Y N 1.458 121.719 120.300 -0.065 0.000 2.274 61 Y HA 0.072 4.623 4.550 0.001 0.000 0.290 61 Y C 3.070 179.030 175.900 0.101 0.000 1.145 61 Y CA 0.172 58.330 58.100 0.097 0.000 1.203 61 Y CB -0.744 37.745 38.460 0.048 0.000 0.984 61 Y HN 0.265 nan 8.280 nan 0.000 0.533 62 A N 0.135 122.944 122.820 -0.019 0.000 1.877 62 A HA -0.141 4.180 4.320 0.001 0.000 0.216 62 A C 2.534 179.785 177.584 -0.554 0.000 1.186 62 A CA 2.056 53.876 52.037 -0.362 0.000 0.620 62 A CB -1.272 17.317 19.000 -0.686 0.000 0.822 62 A HN 0.376 nan 8.150 nan 0.000 0.443 63 A N 0.310 122.870 122.820 -0.433 0.000 1.908 63 A HA -0.135 4.185 4.320 0.001 0.000 0.218 63 A C 2.537 180.121 177.584 0.000 0.000 1.181 63 A CA 2.585 54.548 52.037 -0.124 0.000 0.627 63 A CB -1.042 17.988 19.000 0.051 0.000 0.818 63 A HN 1.062 nan 8.150 nan 0.000 0.445 64 S N -0.572 115.179 115.700 0.086 0.000 2.368 64 S HA -0.120 4.350 4.470 0.001 0.000 0.224 64 S C 1.791 176.412 174.600 0.034 0.000 1.029 64 S CA 1.466 59.801 58.200 0.224 0.000 0.988 64 S CB -0.461 63.043 63.200 0.507 0.000 0.838 64 S HN 0.348 nan 8.310 nan 0.000 0.462 65 I N 2.160 122.629 120.570 -0.169 0.000 2.716 65 I HA 0.253 4.424 4.170 0.001 0.000 0.259 65 I C 2.525 178.488 176.117 -0.258 0.000 1.172 65 I CA 0.389 61.406 61.300 -0.471 0.000 1.478 65 I CB -0.746 36.666 38.000 -0.980 0.000 1.104 65 I HN 0.350 nan 8.210 nan 0.000 0.439 66 A N 0.169 122.892 122.820 -0.161 0.000 1.940 66 A HA -0.111 4.210 4.320 0.001 0.000 0.219 66 A C 2.425 180.005 177.584 -0.006 0.000 1.176 66 A CA 1.717 53.727 52.037 -0.044 0.000 0.631 66 A CB -1.605 17.445 19.000 0.082 0.000 0.814 66 A HN 0.453 nan 8.150 nan 0.000 0.446 67 G N -1.566 107.246 108.800 0.021 0.000 2.421 67 G HA2 -0.277 3.683 3.960 0.001 0.000 0.216 67 G HA3 -0.277 3.683 3.960 0.001 0.000 0.216 67 G C 1.549 176.521 174.900 0.119 0.000 1.171 67 G CA 1.295 46.450 45.100 0.092 0.000 0.775 67 G HN 0.595 nan 8.290 nan 0.000 0.543 68 Y N 1.359 121.523 120.300 -0.227 0.000 2.097 68 Y HA -0.109 4.441 4.550 0.001 0.000 0.282 68 Y C 2.544 178.390 175.900 -0.091 0.000 1.152 68 Y CA 1.551 59.489 58.100 -0.271 0.000 1.136 68 Y CB -0.299 37.497 38.460 -1.107 0.000 0.975 68 Y HN 0.195 nan 8.280 nan 0.000 0.498 69 I N -0.008 120.373 120.570 -0.316 0.000 2.252 69 I HA -0.237 3.933 4.170 0.001 0.000 0.245 69 I C 2.198 178.144 176.117 -0.285 0.000 1.102 69 I CA 1.792 62.872 61.300 -0.366 0.000 1.385 69 I CB -0.336 37.556 38.000 -0.180 0.000 1.064 69 I HN 0.288 nan 8.210 nan 0.000 0.414 70 E N 0.239 120.339 120.200 -0.166 0.000 2.250 70 E HA 0.041 4.391 4.350 0.001 0.000 0.192 70 E C 1.355 177.860 176.600 -0.159 0.000 0.986 70 E CA 0.607 56.933 56.400 -0.123 0.000 0.849 70 E CB 0.203 29.881 29.700 -0.037 0.000 0.797 70 E HN 0.542 nan 8.360 nan 0.000 0.482 71 G N 2.700 111.411 108.800 -0.149 0.000 2.176 71 G HA2 -0.317 3.643 3.960 0.001 0.000 0.252 71 G HA3 -0.317 3.643 3.960 0.001 0.000 0.252 71 G C -0.002 174.907 174.900 0.015 0.000 1.024 71 G CA 1.009 46.011 45.100 -0.163 0.000 0.755 71 G HN 0.310 nan 8.290 nan 0.000 0.507 72 K N -0.795 119.641 120.400 0.059 0.000 2.498 72 K HA 0.691 5.012 4.320 0.001 0.000 0.254 72 K C -3.251 173.413 176.600 0.107 0.000 0.933 72 K CA -2.408 53.927 56.287 0.080 0.000 0.806 72 K CB 2.706 35.236 32.500 0.050 0.000 1.301 72 K HN -0.077 nan 8.250 nan 0.000 0.432 73 P HA 0.052 nan 4.420 nan 0.000 0.262 73 P C -0.108 177.267 177.300 0.126 0.000 1.199 73 P CA 0.105 63.278 63.100 0.123 0.000 0.763 73 P CB 0.716 32.483 31.700 0.110 0.000 0.790 74 G N 2.840 111.723 108.800 0.139 0.000 2.398 74 G HA2 0.341 4.302 3.960 0.001 0.000 0.246 74 G HA3 0.341 4.302 3.960 0.001 0.000 0.246 74 G C -0.549 174.448 174.900 0.162 0.000 1.289 74 G CA -0.231 44.973 45.100 0.173 0.000 0.869 74 G HN 0.363 nan 8.290 nan 0.000 0.543 75 V N 2.366 122.387 119.914 0.178 0.000 2.384 75 V HA 0.344 4.464 4.120 0.001 0.000 0.287 75 V C 0.096 176.261 176.094 0.118 0.000 1.020 75 V CA -0.979 61.382 62.300 0.102 0.000 0.850 75 V CB 1.172 33.000 31.823 0.008 0.000 0.987 75 V HN 0.902 nan 8.190 nan 0.000 0.436 76 C N 7.137 126.494 119.300 0.094 0.000 2.329 76 C HA 0.818 5.279 4.460 0.001 0.000 0.329 76 C C -0.491 174.549 174.990 0.084 0.000 1.275 76 C CA -0.587 58.474 59.018 0.072 0.000 1.726 76 C CB 0.566 28.328 27.740 0.037 0.000 2.291 76 C HN 0.854 nan 8.230 nan 0.000 0.514 77 L N 6.739 128.025 121.223 0.105 0.000 2.333 77 L HA 0.800 5.140 4.340 0.001 0.000 0.280 77 L C 0.373 177.361 176.870 0.197 0.000 1.004 77 L CA 0.559 55.502 54.840 0.173 0.000 0.820 77 L CB 1.905 44.115 42.059 0.250 0.000 1.247 77 L HN 0.970 nan 8.230 nan 0.000 0.416 78 T N 1.753 116.420 114.554 0.190 0.000 2.864 78 T HA 0.739 5.089 4.350 0.001 0.000 0.289 78 T C 0.139 174.949 174.700 0.183 0.000 1.082 78 T CA -0.194 62.010 62.100 0.173 0.000 1.009 78 T CB 1.126 70.083 68.868 0.148 0.000 1.234 78 T HN 0.674 nan 8.240 nan 0.000 0.526 79 V N 0.132 120.140 119.914 0.157 0.000 3.596 79 V HA 0.678 4.799 4.120 0.001 0.000 0.288 79 V C 0.824 177.027 176.094 0.182 0.000 1.021 79 V CA -0.330 62.067 62.300 0.162 0.000 1.020 79 V CB 0.081 31.986 31.823 0.137 0.000 1.243 79 V HN 1.275 nan 8.190 nan 0.000 0.433 80 S N 0.326 116.120 115.700 0.158 0.000 2.633 80 S HA 0.536 5.006 4.470 0.001 0.000 0.257 80 S C 1.534 176.196 174.600 0.102 0.000 1.265 80 S CA 0.036 58.308 58.200 0.120 0.000 0.980 80 S CB 0.002 63.255 63.200 0.088 0.000 1.017 80 S HN 2.191 nan 8.310 nan 0.000 0.577 81 A N 2.144 125.007 122.820 0.072 0.000 2.259 81 A HA -0.282 4.038 4.320 0.001 0.000 0.287 81 A C 0.141 177.794 177.584 0.115 0.000 3.655 81 A CA 2.668 54.767 52.037 0.102 0.000 1.024 81 A CB -3.019 15.981 19.000 -0.001 0.000 0.527 81 A HN 0.801 nan 8.150 nan 0.000 0.443 82 P HA -0.094 nan 4.420 nan 0.000 0.216 82 P C 1.686 178.962 177.300 -0.039 0.000 1.150 82 P CA 2.198 65.285 63.100 -0.022 0.000 0.837 82 P CB -0.692 30.976 31.700 -0.053 0.000 0.786 83 G N -0.455 108.342 108.800 -0.004 0.000 2.394 83 G HA2 -0.259 3.702 3.960 0.001 0.000 0.214 83 G HA3 -0.259 3.702 3.960 0.001 0.000 0.214 83 G C 1.408 176.313 174.900 0.008 0.000 1.176 83 G CA 0.412 45.503 45.100 -0.015 0.000 0.786 83 G HN 0.182 nan 8.290 nan 0.000 0.533 84 F N 1.484 121.414 119.950 -0.034 0.000 2.063 84 F HA -0.140 4.387 4.527 0.001 0.000 0.298 84 F C 2.354 178.090 175.800 -0.105 0.000 1.109 84 F CA 1.517 59.487 58.000 -0.050 0.000 1.212 84 F CB -0.498 38.471 39.000 -0.052 0.000 0.973 84 F HN 0.060 nan 8.300 nan 0.000 0.480 85 L N 0.276 121.259 121.223 -0.401 0.000 2.042 85 L HA -0.306 4.035 4.340 0.001 0.000 0.210 85 L C 2.347 178.969 176.870 -0.415 0.000 1.076 85 L CA 1.673 56.213 54.840 -0.500 0.000 0.749 85 L CB -0.843 41.109 42.059 -0.178 0.000 0.893 85 L HN 0.268 nan 8.230 nan 0.000 0.432 86 N N 0.185 118.724 118.700 -0.268 0.000 2.084 86 N HA -0.134 4.606 4.740 0.001 0.000 0.190 86 N C 1.784 177.133 175.510 -0.269 0.000 1.030 86 N CA 1.565 54.498 53.050 -0.194 0.000 0.849 86 N CB -0.685 37.699 38.487 -0.172 0.000 1.012 86 N HN 0.347 nan 8.380 nan 0.000 0.423 87 G N 0.623 109.255 108.800 -0.280 0.000 2.422 87 G HA2 -0.182 3.778 3.960 0.001 0.000 0.218 87 G HA3 -0.182 3.778 3.960 0.001 0.000 0.218 87 G C 1.631 176.333 174.900 -0.330 0.000 1.146 87 G CA 0.543 45.483 45.100 -0.266 0.000 0.769 87 G HN 0.254 nan 8.290 nan 0.000 0.547 88 V N 1.807 121.407 119.914 -0.522 0.000 2.759 88 V HA -0.149 3.971 4.120 0.001 0.000 0.256 88 V C 3.301 179.149 176.094 -0.411 0.000 1.080 88 V CA 2.668 64.651 62.300 -0.529 0.000 1.101 88 V CB -0.569 30.702 31.823 -0.921 0.000 0.698 88 V HN 0.670 nan 8.190 nan 0.000 0.477 89 T N -3.008 111.310 114.554 -0.394 0.000 2.788 89 T HA -0.155 4.195 4.350 0.001 0.000 0.268 89 T C 1.911 176.508 174.700 -0.172 0.000 1.044 89 T CA 1.825 63.753 62.100 -0.286 0.000 1.139 89 T CB -0.448 68.269 68.868 -0.251 0.000 0.867 89 T HN 0.489 nan 8.240 nan 0.000 0.454 90 S N 1.537 117.054 115.700 -0.305 0.000 2.377 90 S HA 0.134 4.604 4.470 0.001 0.000 0.223 90 S C 1.827 176.446 174.600 0.031 0.000 1.030 90 S CA 0.646 58.683 58.200 -0.272 0.000 0.970 90 S CB -0.592 62.282 63.200 -0.543 0.000 0.830 90 S HN 0.308 nan 8.310 nan 0.000 0.473 91 L N 2.257 123.461 121.223 -0.031 0.000 2.043 91 L HA -0.133 4.207 4.340 0.001 0.000 0.212 91 L C 2.459 179.364 176.870 0.058 0.000 1.075 91 L CA 1.833 56.694 54.840 0.035 0.000 0.752 91 L CB -0.973 41.101 42.059 0.025 0.000 0.891 91 L HN 0.285 nan 8.230 nan 0.000 0.432 92 A N -1.209 121.650 122.820 0.066 0.000 1.892 92 A HA -0.358 3.962 4.320 0.001 0.000 0.218 92 A C 2.274 179.873 177.584 0.026 0.000 1.188 92 A CA 2.097 54.228 52.037 0.156 0.000 0.631 92 A CB -1.167 17.990 19.000 0.261 0.000 0.822 92 A HN 0.764 nan 8.150 nan 0.000 0.447 93 H N -0.246 118.864 119.070 0.067 0.000 2.353 93 H HA 0.048 4.604 4.556 0.001 0.000 0.300 93 H C 2.096 177.316 175.328 -0.179 0.000 1.090 93 H CA 2.058 58.090 56.048 -0.027 0.000 1.327 93 H CB -0.291 29.678 29.762 0.344 0.000 1.383 93 H HN 0.385 nan 8.280 nan 0.000 0.508 94 A N -0.192 122.571 122.820 -0.094 0.000 1.865 94 A HA -0.200 4.121 4.320 0.001 0.000 0.217 94 A C 2.517 179.919 177.584 -0.303 0.000 1.191 94 A CA 2.235 54.182 52.037 -0.149 0.000 0.623 94 A CB -1.212 17.855 19.000 0.110 0.000 0.826 94 A HN 0.599 nan 8.150 nan 0.000 0.444 95 T N -0.129 114.299 114.554 -0.211 0.000 2.684 95 T HA -0.139 4.212 4.350 0.001 0.000 0.267 95 T C 1.986 176.469 174.700 -0.362 0.000 1.036 95 T CA 1.987 63.959 62.100 -0.213 0.000 1.148 95 T CB -0.701 68.100 68.868 -0.111 0.000 0.863 95 T HN 0.554 nan 8.240 nan 0.000 0.436 96 T N 2.275 116.503 114.554 -0.544 0.000 2.803 96 T HA -0.084 4.267 4.350 0.001 0.000 0.269 96 T C 1.762 176.054 174.700 -0.681 0.000 1.052 96 T CA 0.918 62.585 62.100 -0.722 0.000 1.136 96 T CB -0.224 67.817 68.868 -1.379 0.000 0.864 96 T HN 0.386 nan 8.240 nan 0.000 0.467 97 N N -0.168 118.023 118.700 -0.848 0.000 2.336 97 N HA 0.065 4.805 4.740 0.001 0.000 0.189 97 N C 0.107 175.074 175.510 -0.905 0.000 1.113 97 N CA 0.265 52.687 53.050 -1.046 0.000 0.858 97 N CB 0.051 37.456 38.487 -1.803 0.000 0.970 97 N HN 0.328 nan 8.380 nan 0.000 0.471 98 C N 1.151 120.105 119.300 -0.576 0.000 4.545 98 C HA -0.172 4.288 4.460 0.001 0.000 0.300 98 C C -0.504 174.390 174.990 -0.160 0.000 1.337 98 C CA -0.530 58.296 59.018 -0.321 0.000 2.032 98 C CB -3.183 24.401 27.740 -0.261 0.000 1.236 98 C HN 0.141 nan 8.230 nan 0.000 0.774 99 F N 2.112 121.936 119.950 -0.211 0.000 2.415 99 F HA 0.508 5.036 4.527 0.001 0.000 0.348 99 F C -1.321 174.446 175.800 -0.056 0.000 1.119 99 F CA -3.420 54.505 58.000 -0.124 0.000 1.069 99 F CB 0.581 39.550 39.000 -0.051 0.000 1.124 99 F HN -0.009 nan 8.300 nan 0.000 0.472 100 P HA 0.186 nan 4.420 nan 0.000 0.271 100 P C -0.600 176.796 177.300 0.160 0.000 1.226 100 P CA -0.032 63.160 63.100 0.152 0.000 0.765 100 P CB 1.256 33.070 31.700 0.190 0.000 0.835 101 M N 4.248 123.930 119.600 0.137 0.000 2.365 101 M HA 0.426 4.906 4.480 0.001 0.000 0.287 101 M C -1.962 174.414 176.300 0.127 0.000 1.154 101 M CA -0.803 54.578 55.300 0.135 0.000 0.941 101 M CB 1.998 34.684 32.600 0.143 0.000 1.704 101 M HN 0.120 nan 8.290 nan 0.000 0.479 102 I N 4.689 125.333 120.570 0.124 0.000 2.406 102 I HA 0.382 4.552 4.170 0.001 0.000 0.290 102 I C -1.197 175.000 176.117 0.134 0.000 0.999 102 I CA -0.907 60.469 61.300 0.127 0.000 1.124 102 I CB 1.946 40.006 38.000 0.100 0.000 1.289 102 I HN 0.547 nan 8.210 nan 0.000 0.441 103 L N 8.307 129.642 121.223 0.187 0.000 2.276 103 L HA 0.514 4.854 4.340 0.001 0.000 0.286 103 L C -1.025 175.998 176.870 0.255 0.000 1.024 103 L CA -0.084 54.898 54.840 0.237 0.000 0.826 103 L CB 0.739 42.985 42.059 0.312 0.000 1.211 103 L HN 0.432 nan 8.230 nan 0.000 0.422 104 L N 4.905 126.234 121.223 0.176 0.000 2.275 104 L HA 0.582 4.923 4.340 0.001 0.000 0.288 104 L C -0.107 176.905 176.870 0.237 0.000 1.046 104 L CA -0.234 54.687 54.840 0.134 0.000 0.805 104 L CB 1.285 43.395 42.059 0.085 0.000 1.193 104 L HN 0.651 nan 8.230 nan 0.000 0.426 105 S N 1.140 117.011 115.700 0.285 0.000 2.538 105 S HA 0.543 5.013 4.470 0.001 0.000 0.288 105 S C 0.190 174.937 174.600 0.245 0.000 1.108 105 S CA -0.731 57.670 58.200 0.335 0.000 0.971 105 S CB 1.965 65.490 63.200 0.542 0.000 1.041 105 S HN 0.768 nan 8.310 nan 0.000 0.483 106 G N 1.878 110.827 108.800 0.248 0.000 2.491 106 G HA2 0.443 4.403 3.960 0.001 0.000 0.238 106 G HA3 0.443 4.403 3.960 0.001 0.000 0.238 106 G C 0.078 175.080 174.900 0.170 0.000 1.277 106 G CA -0.109 45.140 45.100 0.248 0.000 0.851 106 G HN 0.827 nan 8.290 nan 0.000 0.573 107 S N 0.389 116.161 115.700 0.120 0.000 2.704 107 S HA 0.799 5.270 4.470 0.001 0.000 0.296 107 S C 0.209 174.860 174.600 0.085 0.000 1.138 107 S CA -0.621 57.622 58.200 0.072 0.000 0.875 107 S CB 1.823 65.031 63.200 0.013 0.000 1.151 107 S HN 0.592 nan 8.310 nan 0.000 0.500 108 S N 0.058 115.802 115.700 0.073 0.000 2.495 108 S HA 0.385 4.856 4.470 0.001 0.000 0.273 108 S C -0.140 174.489 174.600 0.049 0.000 1.156 108 S CA -0.695 57.562 58.200 0.095 0.000 1.032 108 S CB -0.133 63.139 63.200 0.120 0.000 1.160 108 S HN 0.838 nan 8.310 nan 0.000 0.489 109 E N 0.477 120.706 120.200 0.049 0.000 2.223 109 E HA 0.168 4.518 4.350 0.001 0.000 0.282 109 E C 0.844 177.452 176.600 0.013 0.000 1.046 109 E CA -0.295 56.120 56.400 0.025 0.000 0.857 109 E CB 0.586 30.303 29.700 0.029 0.000 1.055 109 E HN 0.406 nan 8.360 nan 0.000 0.409 110 R N 3.884 124.384 120.500 -0.001 0.000 2.113 110 R HA -0.248 4.092 4.340 0.001 0.000 0.244 110 R C 1.213 177.512 176.300 -0.000 0.000 1.142 110 R CA 2.489 58.586 56.100 -0.005 0.000 0.953 110 R CB -0.025 30.267 30.300 -0.013 0.000 0.860 110 R HN 0.688 nan 8.270 nan 0.000 0.438 111 E N -0.597 119.604 120.200 0.002 0.000 2.110 111 E HA -0.163 4.187 4.350 0.001 0.000 0.193 111 E C 1.979 178.583 176.600 0.007 0.000 0.988 111 E CA 1.644 58.047 56.400 0.003 0.000 0.804 111 E CB -0.125 29.577 29.700 0.004 0.000 0.745 111 E HN 0.451 nan 8.360 nan 0.000 0.458 112 I N 0.128 120.705 120.570 0.013 0.000 2.400 112 I HA -0.159 4.012 4.170 0.001 0.000 0.248 112 I C 2.263 178.388 176.117 0.014 0.000 1.109 112 I CA 0.368 61.678 61.300 0.017 0.000 1.425 112 I CB -0.102 37.914 38.000 0.027 0.000 1.094 112 I HN -0.051 nan 8.210 nan 0.000 0.425 113 V N 1.165 121.087 119.914 0.013 0.000 2.332 113 V HA -0.298 3.822 4.120 0.001 0.000 0.248 113 V C 1.926 178.022 176.094 0.002 0.000 1.055 113 V CA 2.050 64.353 62.300 0.006 0.000 1.038 113 V CB -0.665 31.159 31.823 0.001 0.000 0.651 113 V HN 0.389 nan 8.190 nan 0.000 0.450 114 D N -0.339 120.062 120.400 0.002 0.000 2.269 114 D HA -0.027 4.613 4.640 0.001 0.000 0.208 114 D C 1.736 178.037 176.300 0.002 0.000 0.963 114 D CA 0.904 54.904 54.000 0.000 0.000 0.864 114 D CB -0.010 40.790 40.800 -0.000 0.000 0.936 114 D HN 0.358 nan 8.370 nan 0.000 0.505 115 L N -0.054 121.171 121.223 0.004 0.000 2.607 115 L HA 0.118 4.459 4.340 0.001 0.000 0.228 115 L C 0.015 176.888 176.870 0.005 0.000 1.123 115 L CA 0.055 54.898 54.840 0.004 0.000 0.890 115 L CB -0.066 41.996 42.059 0.005 0.000 1.103 115 L HN -0.112 nan 8.230 nan 0.000 0.468 116 Q N 0.263 120.066 119.800 0.005 0.000 2.435 116 Q HA -0.299 4.041 4.340 0.001 0.000 0.312 116 Q C 0.791 176.795 176.000 0.007 0.000 1.333 116 Q CA 0.425 56.231 55.803 0.005 0.000 0.883 116 Q CB -1.240 27.500 28.738 0.003 0.000 1.170 116 Q HN 0.597 nan 8.270 nan 0.000 0.443 117 Q N -0.625 119.182 119.800 0.010 0.000 2.424 117 Q HA 0.135 4.475 4.340 0.001 0.000 0.204 117 Q C 1.075 177.085 176.000 0.016 0.000 0.933 117 Q CA 0.591 56.402 55.803 0.013 0.000 0.929 117 Q CB 0.723 29.470 28.738 0.015 0.000 1.037 117 Q HN 0.656 nan 8.270 nan 0.000 0.511 118 G N 2.136 110.946 108.800 0.017 0.000 2.455 118 G HA2 -0.154 3.806 3.960 0.001 0.000 0.169 118 G HA3 -0.154 3.806 3.960 0.001 0.000 0.169 118 G C -0.668 174.252 174.900 0.032 0.000 1.074 118 G CA -0.294 44.817 45.100 0.018 0.000 0.796 118 G HN 0.182 nan 8.290 nan 0.000 0.489 119 D N -0.697 119.726 120.400 0.038 0.000 2.362 119 D HA 0.231 4.871 4.640 0.001 0.000 0.238 119 D C 0.853 177.207 176.300 0.091 0.000 1.212 119 D CA -0.168 53.875 54.000 0.071 0.000 0.902 119 D CB 0.287 41.128 40.800 0.068 0.000 1.180 119 D HN 0.308 nan 8.370 nan 0.000 0.445 120 Y N 1.890 122.200 120.300 0.017 0.000 2.802 120 Y HA -0.078 4.473 4.550 0.001 0.000 0.333 120 Y C 0.607 176.521 175.900 0.024 0.000 1.244 120 Y CA 0.528 58.641 58.100 0.021 0.000 1.558 120 Y CB -0.291 38.184 38.460 0.024 0.000 1.233 120 Y HN 0.498 nan 8.280 nan 0.000 0.547 121 E N 3.214 123.108 120.200 -0.511 0.000 2.197 121 E HA -0.369 3.981 4.350 0.001 0.000 0.184 121 E C -0.397 176.129 176.600 -0.123 0.000 1.439 121 E CA 0.857 57.041 56.400 -0.360 0.000 0.688 121 E CB -0.844 28.572 29.700 -0.473 0.000 1.090 121 E HN 0.745 nan 8.360 nan 0.000 0.341 122 E N 1.403 121.560 120.200 -0.072 0.000 2.259 122 E HA 0.390 4.741 4.350 0.001 0.000 0.281 122 E C -0.193 176.392 176.600 -0.026 0.000 1.037 122 E CA 0.006 56.390 56.400 -0.026 0.000 0.854 122 E CB 0.707 30.402 29.700 -0.009 0.000 1.051 122 E HN 0.339 nan 8.360 nan 0.000 0.409 123 M N 4.253 123.836 119.600 -0.028 0.000 2.484 123 M HA 0.101 4.581 4.480 0.001 0.000 0.292 123 M C -1.972 174.289 176.300 -0.064 0.000 1.123 123 M CA -0.725 54.554 55.300 -0.034 0.000 0.910 123 M CB 1.889 34.476 32.600 -0.022 0.000 1.782 123 M HN 0.384 nan 8.290 nan 0.000 0.512 124 D N 3.553 123.923 120.400 -0.050 0.000 2.455 124 D HA 0.143 4.783 4.640 0.001 0.000 0.234 124 D C 0.581 176.808 176.300 -0.122 0.000 1.224 124 D CA 0.495 54.458 54.000 -0.061 0.000 0.999 124 D CB 0.692 41.476 40.800 -0.026 0.000 1.072 124 D HN 0.686 nan 8.370 nan 0.000 0.514 125 Q N 2.268 121.910 119.800 -0.265 0.000 2.119 125 Q HA -0.136 4.205 4.340 0.001 0.000 0.201 125 Q C 2.007 177.748 176.000 -0.432 0.000 0.972 125 Q CA 0.865 56.237 55.803 -0.719 0.000 0.847 125 Q CB 0.149 28.192 28.738 -1.157 0.000 0.903 125 Q HN 0.558 nan 8.270 nan 0.000 0.433 126 M N 1.023 120.610 119.600 -0.021 0.000 2.082 126 M HA -0.258 4.222 4.480 0.001 0.000 0.258 126 M C 1.985 178.324 176.300 0.066 0.000 1.069 126 M CA 1.666 57.064 55.300 0.164 0.000 1.102 126 M CB -0.204 32.462 32.600 0.111 0.000 1.336 126 M HN 0.239 nan 8.290 nan 0.000 0.404 127 N N -0.431 118.277 118.700 0.012 0.000 2.216 127 N HA -0.122 4.618 4.740 0.001 0.000 0.183 127 N C 1.453 176.977 175.510 0.024 0.000 1.017 127 N CA 1.423 54.480 53.050 0.011 0.000 0.861 127 N CB 0.084 38.572 38.487 0.002 0.000 0.986 127 N HN 0.285 nan 8.380 nan 0.000 0.428 128 V N 1.538 121.478 119.914 0.043 0.000 2.515 128 V HA -0.107 4.013 4.120 0.001 0.000 0.250 128 V C 2.484 178.703 176.094 0.209 0.000 1.058 128 V CA 1.614 63.993 62.300 0.131 0.000 1.064 128 V CB -0.712 31.241 31.823 0.217 0.000 0.675 128 V HN 0.408 nan 8.190 nan 0.000 0.461 129 A N -0.362 122.584 122.820 0.210 0.000 2.119 129 A HA -0.140 4.180 4.320 0.001 0.000 0.217 129 A C 2.323 179.964 177.584 0.096 0.000 1.153 129 A CA 0.987 53.149 52.037 0.209 0.000 0.692 129 A CB -0.436 18.613 19.000 0.080 0.000 0.799 129 A HN 0.481 nan 8.150 nan 0.000 0.458 130 R N -0.153 120.357 120.500 0.016 0.000 2.096 130 R HA -0.139 4.201 4.340 0.001 0.000 0.240 130 R C -0.754 175.477 176.300 -0.115 0.000 1.139 130 R CA 1.845 57.919 56.100 -0.044 0.000 0.952 130 R CB -1.458 28.814 30.300 -0.046 0.000 0.854 130 R HN 0.445 nan 8.270 nan 0.000 0.436 131 P HA -0.076 nan 4.420 nan 0.000 0.230 131 P C 0.216 177.325 177.300 -0.319 0.000 1.158 131 P CA 1.272 64.168 63.100 -0.340 0.000 0.769 131 P CB 0.079 31.482 31.700 -0.494 0.000 0.807 132 H N -1.794 117.291 119.070 0.025 0.000 2.594 132 H HA 0.252 4.808 4.556 0.001 0.000 0.279 132 H C 0.832 176.165 175.328 0.008 0.000 1.042 132 H CA -0.149 55.917 56.048 0.030 0.000 1.177 132 H CB -0.024 29.749 29.762 0.019 0.000 1.524 132 H HN 0.258 nan 8.280 nan 0.000 0.537 133 C N -1.576 117.766 119.300 0.069 0.000 3.323 133 C HA 0.436 4.897 4.460 0.001 0.000 0.324 133 C C 1.581 176.563 174.990 -0.014 0.000 1.428 133 C CA -1.038 58.003 59.018 0.039 0.000 1.368 133 C CB 2.631 30.417 27.740 0.076 0.000 1.731 133 C HN 0.065 nan 8.230 nan 0.000 0.455 134 K N 0.695 121.084 120.400 -0.019 0.000 2.031 134 K HA 0.290 4.611 4.320 0.001 0.000 0.205 134 K C 0.771 177.321 176.600 -0.083 0.000 1.049 134 K CA 1.917 58.183 56.287 -0.034 0.000 0.939 134 K CB -0.052 32.445 32.500 -0.005 0.000 0.717 134 K HN 0.885 nan 8.250 nan 0.000 0.438 135 A N 0.443 123.173 122.820 -0.150 0.000 2.449 135 A HA 0.445 4.765 4.320 0.001 0.000 0.302 135 A C -1.219 176.076 177.584 -0.483 0.000 1.048 135 A CA -0.575 51.209 52.037 -0.422 0.000 0.708 135 A CB 2.011 20.601 19.000 -0.683 0.000 1.274 135 A HN -0.015 nan 8.150 nan 0.000 0.410 136 S N 1.226 116.620 115.700 -0.510 0.000 2.530 136 S HA 0.800 5.270 4.470 0.001 0.000 0.322 136 S C -1.253 173.110 174.600 -0.396 0.000 1.085 136 S CA -0.313 57.744 58.200 -0.238 0.000 1.096 136 S CB -0.226 62.989 63.200 0.025 0.000 0.988 136 S HN 0.429 nan 8.310 nan 0.000 0.466 137 F N 2.602 122.560 119.950 0.013 0.000 2.575 137 F HA 0.668 5.195 4.527 0.001 0.000 0.330 137 F C 0.492 176.215 175.800 -0.129 0.000 1.056 137 F CA -1.080 56.891 58.000 -0.049 0.000 0.964 137 F CB 1.491 40.456 39.000 -0.059 0.000 1.258 137 F HN 0.456 nan 8.300 nan 0.000 0.484 138 R N 1.653 122.225 120.500 0.120 0.000 2.532 138 R HA 0.622 4.962 4.340 0.001 0.000 0.297 138 R C -1.797 174.483 176.300 -0.032 0.000 0.984 138 R CA -0.492 55.598 56.100 -0.016 0.000 0.884 138 R CB 1.241 31.531 30.300 -0.018 0.000 1.182 138 R HN 0.737 nan 8.270 nan 0.000 0.442 139 I N 4.865 125.380 120.570 -0.091 0.000 2.301 139 I HA 0.145 4.315 4.170 0.001 0.000 0.292 139 I C 0.296 176.332 176.117 -0.134 0.000 1.046 139 I CA -0.331 60.903 61.300 -0.109 0.000 1.282 139 I CB 1.464 39.387 38.000 -0.129 0.000 1.409 139 I HN 0.725 nan 8.210 nan 0.000 0.484 140 N N 2.526 121.165 118.700 -0.103 0.000 2.409 140 N HA -0.019 4.722 4.740 0.001 0.000 0.174 140 N C 0.365 175.808 175.510 -0.112 0.000 1.037 140 N CA 0.217 53.205 53.050 -0.104 0.000 0.898 140 N CB 0.422 38.869 38.487 -0.066 0.000 1.010 140 N HN 0.533 nan 8.380 nan 0.000 0.445 141 S N -0.662 114.981 115.700 -0.096 0.000 2.526 141 S HA 0.343 4.813 4.470 0.001 0.000 0.293 141 S C 0.824 175.375 174.600 -0.080 0.000 1.092 141 S CA -0.816 57.336 58.200 -0.080 0.000 0.980 141 S CB 0.959 64.127 63.200 -0.052 0.000 1.048 141 S HN 0.208 nan 8.310 nan 0.000 0.483 142 I N 4.099 124.627 120.570 -0.071 0.000 2.194 142 I HA -0.227 3.943 4.170 0.001 0.000 0.246 142 I C 2.265 178.370 176.117 -0.021 0.000 1.093 142 I CA 2.211 63.481 61.300 -0.050 0.000 1.355 142 I CB -0.148 37.835 38.000 -0.027 0.000 1.046 142 I HN 0.912 nan 8.210 nan 0.000 0.413 143 K N -0.387 120.005 120.400 -0.014 0.000 2.280 143 K HA -0.155 4.165 4.320 0.001 0.000 0.202 143 K C 1.113 177.718 176.600 0.008 0.000 1.047 143 K CA 1.718 58.007 56.287 0.003 0.000 0.942 143 K CB -0.261 32.239 32.500 -0.001 0.000 0.739 143 K HN 0.312 nan 8.250 nan 0.000 0.457 144 D N 0.602 120.995 120.400 -0.012 0.000 2.349 144 D HA 0.128 4.768 4.640 0.001 0.000 0.214 144 D C 1.608 177.897 176.300 -0.018 0.000 1.063 144 D CA 0.144 54.136 54.000 -0.013 0.000 0.847 144 D CB 0.112 40.889 40.800 -0.037 0.000 0.933 144 D HN 0.247 nan 8.370 nan 0.000 0.513 145 I N 1.726 122.284 120.570 -0.019 0.000 2.118 145 I HA -0.229 3.941 4.170 0.001 0.000 0.241 145 I C -0.579 175.529 176.117 -0.016 0.000 1.070 145 I CA 1.455 62.739 61.300 -0.027 0.000 1.327 145 I CB -1.297 36.694 38.000 -0.015 0.000 1.034 145 I HN 0.002 nan 8.210 nan 0.000 0.405 146 P HA -0.156 nan 4.420 nan 0.000 0.216 146 P C 1.882 179.197 177.300 0.026 0.000 1.153 146 P CA 1.389 64.482 63.100 -0.011 0.000 0.848 146 P CB -0.014 31.749 31.700 0.105 0.000 0.787 147 I N -0.494 120.196 120.570 0.201 0.000 2.226 147 I HA -0.131 4.039 4.170 0.001 0.000 0.245 147 I C 2.394 178.500 176.117 -0.018 0.000 1.100 147 I CA 2.071 63.488 61.300 0.196 0.000 1.374 147 I CB -1.846 36.221 38.000 0.111 0.000 1.057 147 I HN 0.027 nan 8.210 nan 0.000 0.413 148 G N 1.355 110.103 108.800 -0.087 0.000 2.440 148 G HA2 -0.225 3.736 3.960 0.001 0.000 0.218 148 G HA3 -0.225 3.736 3.960 0.001 0.000 0.218 148 G C 1.573 176.367 174.900 -0.176 0.000 1.154 148 G CA 0.363 45.349 45.100 -0.191 0.000 0.767 148 G HN 0.189 nan 8.290 nan 0.000 0.552 149 I N 1.856 122.359 120.570 -0.111 0.000 2.315 149 I HA -0.027 4.144 4.170 0.001 0.000 0.248 149 I C 3.209 179.267 176.117 -0.098 0.000 1.117 149 I CA 0.755 62.002 61.300 -0.089 0.000 1.404 149 I CB -1.303 36.651 38.000 -0.077 0.000 1.071 149 I HN 0.251 nan 8.210 nan 0.000 0.419 150 A N 0.939 123.679 122.820 -0.132 0.000 1.902 150 A HA -0.203 4.117 4.320 0.001 0.000 0.217 150 A C 2.464 180.025 177.584 -0.038 0.000 1.181 150 A CA 1.323 53.304 52.037 -0.092 0.000 0.623 150 A CB -0.519 18.471 19.000 -0.016 0.000 0.818 150 A HN 0.309 nan 8.150 nan 0.000 0.443 151 R N -0.635 119.802 120.500 -0.106 0.000 2.096 151 R HA -0.087 4.253 4.340 0.001 0.000 0.235 151 R C 2.466 178.739 176.300 -0.045 0.000 1.127 151 R CA 1.231 57.227 56.100 -0.173 0.000 0.968 151 R CB -0.516 29.450 30.300 -0.557 0.000 0.861 151 R HN 0.536 nan 8.270 nan 0.000 0.440 152 A N 0.744 123.547 122.820 -0.027 0.000 1.873 152 A HA -0.084 4.237 4.320 0.001 0.000 0.215 152 A C 2.399 180.056 177.584 0.122 0.000 1.186 152 A CA 1.191 53.321 52.037 0.154 0.000 0.616 152 A CB -0.479 18.594 19.000 0.122 0.000 0.823 152 A HN 0.092 nan 8.150 nan 0.000 0.442 153 V N 0.075 120.027 119.914 0.062 0.000 2.358 153 V HA -0.248 3.873 4.120 0.001 0.000 0.246 153 V C 2.655 178.795 176.094 0.076 0.000 1.047 153 V CA 2.174 64.512 62.300 0.063 0.000 1.035 153 V CB -0.812 31.029 31.823 0.029 0.000 0.658 153 V HN 0.498 nan 8.190 nan 0.000 0.452 154 R N -0.266 120.276 120.500 0.070 0.000 2.081 154 R HA -0.133 4.208 4.340 0.001 0.000 0.235 154 R C 2.404 178.764 176.300 0.100 0.000 1.131 154 R CA 1.939 58.087 56.100 0.080 0.000 0.960 154 R CB -0.715 29.629 30.300 0.073 0.000 0.856 154 R HN 0.501 nan 8.270 nan 0.000 0.436 155 T N 0.794 115.428 114.554 0.133 0.000 2.788 155 T HA -0.104 4.246 4.350 0.001 0.000 0.268 155 T C 1.890 176.659 174.700 0.116 0.000 1.044 155 T CA 1.337 63.527 62.100 0.150 0.000 1.139 155 T CB -0.139 68.876 68.868 0.245 0.000 0.867 155 T HN 0.359 nan 8.240 nan 0.000 0.454 156 A N 1.275 124.167 122.820 0.120 0.000 1.929 156 A HA 0.016 4.337 4.320 0.001 0.000 0.216 156 A C 2.570 180.214 177.584 0.100 0.000 1.176 156 A CA 1.615 53.714 52.037 0.104 0.000 0.628 156 A CB -0.651 18.419 19.000 0.116 0.000 0.816 156 A HN 0.491 nan 8.150 nan 0.000 0.444 157 V N -1.990 117.989 119.914 0.108 0.000 3.307 157 V HA 0.142 4.262 4.120 0.001 0.000 0.253 157 V C 1.127 177.289 176.094 0.113 0.000 1.149 157 V CA 0.773 63.150 62.300 0.129 0.000 1.112 157 V CB -0.956 30.942 31.823 0.126 0.000 0.777 157 V HN 0.550 nan 8.190 nan 0.000 0.464 158 S N 0.086 115.839 115.700 0.089 0.000 2.693 158 S HA 0.711 5.182 4.470 0.001 0.000 0.276 158 S C 0.975 175.611 174.600 0.060 0.000 1.192 158 S CA 0.295 58.540 58.200 0.075 0.000 0.994 158 S CB 0.832 64.073 63.200 0.068 0.000 1.012 158 S HN 1.843 nan 8.310 nan 0.000 0.550 159 G N 1.585 110.415 108.800 0.051 0.000 2.614 159 G HA2 -0.344 3.616 3.960 0.001 0.000 0.303 159 G HA3 -0.344 3.616 3.960 0.001 0.000 0.303 159 G C -0.066 174.851 174.900 0.027 0.000 1.270 159 G CA 0.431 45.552 45.100 0.035 0.000 0.988 159 G HN 1.139 nan 8.290 nan 0.000 0.551 160 R N 1.784 122.286 120.500 0.003 0.000 2.296 160 R HA 0.417 4.758 4.340 0.001 0.000 0.323 160 R C -2.200 174.078 176.300 -0.036 0.000 1.067 160 R CA -1.029 55.055 56.100 -0.026 0.000 0.946 160 R CB 0.394 30.667 30.300 -0.046 0.000 0.991 160 R HN 0.283 nan 8.270 nan 0.000 0.448 161 P HA 0.224 nan 4.420 nan 0.000 0.270 161 P C -0.519 176.742 177.300 -0.065 0.000 1.223 161 P CA -0.099 62.969 63.100 -0.052 0.000 0.785 161 P CB 1.154 32.766 31.700 -0.147 0.000 0.923 162 G N -0.511 108.282 108.800 -0.012 0.000 2.342 162 G HA2 0.508 4.469 3.960 0.001 0.000 0.297 162 G HA3 0.508 4.469 3.960 0.001 0.000 0.297 162 G C -0.863 174.056 174.900 0.032 0.000 1.313 162 G CA -0.257 44.830 45.100 -0.021 0.000 0.830 162 G HN 0.600 nan 8.290 nan 0.000 0.506 163 G N -1.532 107.284 108.800 0.026 0.000 2.503 163 G HA2 0.580 4.540 3.960 0.001 0.000 0.257 163 G HA3 0.580 4.540 3.960 0.001 0.000 0.257 163 G C -0.733 174.217 174.900 0.083 0.000 1.214 163 G CA -0.078 45.064 45.100 0.070 0.000 0.839 163 G HN 1.205 nan 8.290 nan 0.000 0.559 164 V N 1.811 121.799 119.914 0.124 0.000 2.668 164 V HA 0.246 4.366 4.120 0.001 0.000 0.304 164 V C -1.226 174.995 176.094 0.212 0.000 1.071 164 V CA -0.917 61.466 62.300 0.138 0.000 0.894 164 V CB 1.630 33.560 31.823 0.178 0.000 1.008 164 V HN 0.740 nan 8.190 nan 0.000 0.425 165 Y N 4.932 125.275 120.300 0.072 0.000 2.313 165 Y HA 0.682 5.233 4.550 0.001 0.000 0.332 165 Y C -0.396 175.589 175.900 0.142 0.000 1.071 165 Y CA -0.834 57.339 58.100 0.122 0.000 1.169 165 Y CB 1.640 40.188 38.460 0.147 0.000 1.192 165 Y HN 0.370 nan 8.280 nan 0.000 0.487 166 V N 6.845 126.443 119.914 -0.527 0.000 2.380 166 V HA 0.162 4.282 4.120 0.001 0.000 0.286 166 V C -0.748 174.870 176.094 -0.793 0.000 1.015 166 V CA -1.011 61.013 62.300 -0.460 0.000 0.834 166 V CB 1.260 33.016 31.823 -0.112 0.000 1.009 166 V HN 0.765 nan 8.190 nan 0.000 0.428 167 D N 4.194 124.110 120.400 -0.807 0.000 2.304 167 D HA 0.497 5.137 4.640 0.001 0.000 0.250 167 D C -0.494 175.675 176.300 -0.218 0.000 1.107 167 D CA 0.064 53.787 54.000 -0.462 0.000 0.885 167 D CB 0.938 41.613 40.800 -0.207 0.000 1.192 167 D HN 0.460 nan 8.370 nan 0.000 0.436 168 L N 5.607 126.753 121.223 -0.128 0.000 2.433 168 L HA 0.379 4.720 4.340 0.001 0.000 0.256 168 L C -2.262 174.492 176.870 -0.193 0.000 1.063 168 L CA -1.983 52.740 54.840 -0.194 0.000 0.922 168 L CB 1.519 43.523 42.059 -0.091 0.000 1.238 168 L HN 0.275 nan 8.230 nan 0.000 0.466 169 P HA -0.011 nan 4.420 nan 0.000 0.266 169 P C 0.831 178.026 177.300 -0.175 0.000 1.195 169 P CA 0.133 63.153 63.100 -0.133 0.000 0.768 169 P CB 1.102 32.726 31.700 -0.126 0.000 0.838 170 A N 4.761 127.584 122.820 0.006 0.000 1.954 170 A HA -0.300 4.021 4.320 0.001 0.000 0.222 170 A C 1.787 179.369 177.584 -0.003 0.000 1.199 170 A CA 1.837 53.937 52.037 0.104 0.000 0.657 170 A CB -1.072 17.991 19.000 0.105 0.000 0.823 170 A HN 0.539 nan 8.150 nan 0.000 0.463 171 K N -1.049 119.305 120.400 -0.077 0.000 2.439 171 K HA -0.004 4.317 4.320 0.001 0.000 0.197 171 K C 1.709 178.195 176.600 -0.189 0.000 1.041 171 K CA 0.778 57.009 56.287 -0.093 0.000 0.970 171 K CB -0.267 32.195 32.500 -0.064 0.000 0.773 171 K HN 0.464 nan 8.250 nan 0.000 0.479 172 L N 0.397 121.398 121.223 -0.369 0.000 2.046 172 L HA -0.131 4.210 4.340 0.001 0.000 0.208 172 L C 1.732 178.311 176.870 -0.484 0.000 1.077 172 L CA 1.713 56.262 54.840 -0.486 0.000 0.747 172 L CB -0.371 41.247 42.059 -0.736 0.000 0.896 172 L HN -0.024 nan 8.230 nan 0.000 0.432 173 F N -0.524 119.201 119.950 -0.375 0.000 2.259 173 F HA 0.101 4.628 4.527 0.000 0.000 0.298 173 F C 2.388 177.871 175.800 -0.528 0.000 1.088 173 F CA 0.993 58.534 58.000 -0.765 0.000 1.358 173 F CB -1.176 36.919 39.000 -1.508 0.000 1.040 173 F HN 0.157 nan 8.300 nan 0.000 0.505 174 G N -0.926 107.820 108.800 -0.091 0.000 3.042 174 G HA2 0.049 4.010 3.960 0.001 0.000 0.212 174 G HA3 0.049 4.010 3.960 0.001 0.000 0.212 174 G C 0.518 175.435 174.900 0.029 0.000 1.166 174 G CA -0.259 44.866 45.100 0.042 0.000 0.767 174 G HN 0.216 nan 8.290 nan 0.000 0.546 175 Q N 0.851 120.638 119.800 -0.022 0.000 2.432 175 Q HA 0.396 4.736 4.340 0.001 0.000 0.264 175 Q C 0.167 176.181 176.000 0.024 0.000 1.035 175 Q CA 0.418 56.214 55.803 -0.012 0.000 0.908 175 Q CB 0.719 29.429 28.738 -0.047 0.000 1.280 175 Q HN 0.324 nan 8.270 nan 0.000 0.455 176 T N -1.152 113.420 114.554 0.030 0.000 2.916 176 T HA 0.839 5.189 4.350 0.001 0.000 0.292 176 T C -0.532 174.190 174.700 0.036 0.000 1.064 176 T CA -0.843 61.286 62.100 0.049 0.000 1.011 176 T CB 1.445 70.346 68.868 0.054 0.000 1.152 176 T HN 0.598 nan 8.240 nan 0.000 0.510 177 I N 0.946 121.542 120.570 0.043 0.000 2.908 177 I HA 0.424 4.594 4.170 0.001 0.000 0.300 177 I C -0.436 175.701 176.117 0.033 0.000 1.385 177 I CA -0.816 60.504 61.300 0.033 0.000 1.004 177 I CB 2.378 40.397 38.000 0.033 0.000 1.309 177 I HN 1.074 nan 8.210 nan 0.000 0.449 178 S N 4.122 119.837 115.700 0.025 0.000 2.562 178 S HA 0.145 4.615 4.470 0.001 0.000 0.281 178 S C 0.963 175.577 174.600 0.023 0.000 1.333 178 S CA -0.571 57.642 58.200 0.021 0.000 1.052 178 S CB 1.579 64.788 63.200 0.016 0.000 0.884 178 S HN 0.459 nan 8.310 nan 0.000 0.506 179 V N 2.458 122.383 119.914 0.017 0.000 2.392 179 V HA -0.156 3.964 4.120 0.001 0.000 0.249 179 V C 2.842 178.947 176.094 0.019 0.000 1.059 179 V CA 2.232 64.541 62.300 0.016 0.000 1.051 179 V CB -1.079 30.746 31.823 0.003 0.000 0.658 179 V HN 1.052 nan 8.190 nan 0.000 0.455 180 E N -0.388 119.822 120.200 0.016 0.000 2.299 180 E HA -0.174 4.176 4.350 0.001 0.000 0.193 180 E C 1.778 178.390 176.600 0.020 0.000 0.998 180 E CA 0.783 57.193 56.400 0.017 0.000 0.851 180 E CB -0.125 29.582 29.700 0.012 0.000 0.795 180 E HN 0.565 nan 8.360 nan 0.000 0.492 181 E N 1.213 121.426 120.200 0.021 0.000 2.047 181 E HA -0.064 4.287 4.350 0.001 0.000 0.191 181 E C 2.056 178.675 176.600 0.033 0.000 0.987 181 E CA 1.282 57.696 56.400 0.023 0.000 0.799 181 E CB -0.179 29.533 29.700 0.020 0.000 0.752 181 E HN 0.395 nan 8.360 nan 0.000 0.449 182 A N 1.555 124.398 122.820 0.038 0.000 1.902 182 A HA -0.196 4.124 4.320 0.001 0.000 0.217 182 A C 1.857 179.474 177.584 0.056 0.000 1.181 182 A CA 1.679 53.746 52.037 0.050 0.000 0.623 182 A CB -0.792 18.241 19.000 0.055 0.000 0.818 182 A HN 0.291 nan 8.150 nan 0.000 0.443 183 N N -1.087 117.640 118.700 0.047 0.000 2.396 183 N HA -0.093 4.648 4.740 0.001 0.000 0.180 183 N C 1.741 177.284 175.510 0.055 0.000 1.028 183 N CA 0.897 53.976 53.050 0.049 0.000 0.893 183 N CB -0.062 38.446 38.487 0.035 0.000 0.967 183 N HN 0.497 nan 8.380 nan 0.000 0.440 184 K N 0.953 121.381 120.400 0.047 0.000 2.103 184 K HA 0.033 4.354 4.320 0.001 0.000 0.204 184 K C 1.730 178.367 176.600 0.062 0.000 1.052 184 K CA 0.627 56.940 56.287 0.043 0.000 0.945 184 K CB 0.200 32.715 32.500 0.026 0.000 0.722 184 K HN 0.122 nan 8.250 nan 0.000 0.443 185 L N 0.787 122.057 121.223 0.079 0.000 2.162 185 L HA 0.039 4.379 4.340 0.001 0.000 0.205 185 L C 0.744 177.757 176.870 0.237 0.000 1.086 185 L CA 0.035 54.947 54.840 0.120 0.000 0.778 185 L CB -0.139 41.977 42.059 0.094 0.000 0.928 185 L HN 0.092 nan 8.230 nan 0.000 0.446 186 L N 1.529 122.855 121.223 0.173 0.000 2.540 186 L HA 0.029 4.369 4.340 0.001 0.000 0.276 186 L C -0.561 176.459 176.870 0.251 0.000 1.212 186 L CA 0.296 55.229 54.840 0.156 0.000 0.893 186 L CB 0.091 42.197 42.059 0.079 0.000 1.138 186 L HN 0.044 nan 8.230 nan 0.000 0.491 187 F N 1.356 121.316 119.950 0.016 0.000 2.678 187 F HA 0.501 5.028 4.527 0.000 0.000 0.308 187 F C -1.018 174.792 175.800 0.017 0.000 1.118 187 F CA -1.435 56.573 58.000 0.013 0.000 0.959 187 F CB 1.307 40.310 39.000 0.006 0.000 1.305 187 F HN 0.190 nan 8.300 nan 0.000 0.443 188 K N 3.504 123.917 120.400 0.021 0.000 2.240 188 K HA 0.566 4.886 4.320 0.001 0.000 0.271 188 K C -2.675 173.980 176.600 0.091 0.000 1.018 188 K CA -1.808 54.444 56.287 -0.059 0.000 0.874 188 K CB 1.100 33.599 32.500 -0.002 0.000 1.098 188 K HN 0.450 nan 8.250 nan 0.000 0.458 189 P HA -0.057 nan 4.420 nan 0.000 0.264 189 P C -0.615 176.747 177.300 0.104 0.000 1.183 189 P CA -0.061 63.130 63.100 0.152 0.000 0.763 189 P CB 0.313 32.057 31.700 0.075 0.000 0.807 190 I N 3.085 123.721 120.570 0.110 0.000 2.352 190 I HA 0.044 4.215 4.170 0.001 0.000 0.290 190 I C 0.815 176.966 176.117 0.057 0.000 1.036 190 I CA 0.154 61.497 61.300 0.071 0.000 1.336 190 I CB -0.271 37.766 38.000 0.061 0.000 1.407 190 I HN 0.548 nan 8.210 nan 0.000 0.497 191 D N 7.437 127.864 120.400 0.044 0.000 2.812 191 D HA -0.129 4.512 4.640 0.001 0.000 0.237 191 D C -1.446 174.880 176.300 0.044 0.000 1.162 191 D CA 0.156 54.179 54.000 0.038 0.000 0.740 191 D CB -0.051 40.769 40.800 0.033 0.000 1.000 191 D HN 0.405 nan 8.370 nan 0.000 0.416 192 P HA -0.003 nan 4.420 nan 0.000 0.221 192 P C 0.246 177.581 177.300 0.058 0.000 1.150 192 P CA 1.068 64.200 63.100 0.054 0.000 0.800 192 P CB 0.358 32.087 31.700 0.050 0.000 0.787 193 A N 1.508 124.360 122.820 0.054 0.000 2.786 193 A HA 0.506 4.826 4.320 0.001 0.000 0.346 193 A C -2.289 175.324 177.584 0.047 0.000 1.265 193 A CA -1.415 50.658 52.037 0.061 0.000 0.858 193 A CB 0.017 19.061 19.000 0.073 0.000 1.118 193 A HN 0.064 nan 8.150 nan 0.000 0.482 194 P HA 0.411 nan 4.420 nan 0.000 0.274 194 P C 0.213 177.533 177.300 0.033 0.000 1.231 194 P CA -0.076 63.045 63.100 0.034 0.000 0.790 194 P CB 1.155 32.875 31.700 0.033 0.000 0.951 195 A N 2.761 125.596 122.820 0.025 0.000 2.483 195 A HA 0.167 4.487 4.320 0.001 0.000 0.238 195 A C 0.213 177.811 177.584 0.023 0.000 1.070 195 A CA 0.201 52.252 52.037 0.023 0.000 0.770 195 A CB -0.237 18.773 19.000 0.016 0.000 1.008 195 A HN 0.518 nan 8.150 nan 0.000 0.497 196 Q N 1.363 121.177 119.800 0.023 0.000 2.337 196 Q HA 0.395 4.735 4.340 0.001 0.000 0.260 196 Q C -1.179 174.831 176.000 0.017 0.000 0.982 196 Q CA 0.057 55.872 55.803 0.021 0.000 0.734 196 Q CB 1.518 30.270 28.738 0.024 0.000 1.272 196 Q HN 0.706 nan 8.270 nan 0.000 0.461 197 I N 4.532 125.110 120.570 0.014 0.000 2.365 197 I HA 0.326 4.496 4.170 0.001 0.000 0.291 197 I C -1.707 174.416 176.117 0.011 0.000 1.004 197 I CA -1.798 59.509 61.300 0.012 0.000 1.311 197 I CB 1.075 39.081 38.000 0.010 0.000 1.401 197 I HN 0.235 nan 8.210 nan 0.000 0.491 198 P HA 0.249 nan 4.420 nan 0.000 0.274 198 P C -0.511 176.793 177.300 0.007 0.000 1.237 198 P CA -0.451 62.654 63.100 0.009 0.000 0.793 198 P CB 0.763 32.469 31.700 0.009 0.000 0.977 199 A N 1.830 124.654 122.820 0.006 0.000 2.406 199 A HA 0.058 4.379 4.320 0.001 0.000 0.243 199 A C 1.471 179.058 177.584 0.005 0.000 1.082 199 A CA -0.165 51.876 52.037 0.005 0.000 0.786 199 A CB -0.105 18.898 19.000 0.004 0.000 1.029 199 A HN 0.592 nan 8.150 nan 0.000 0.495 200 E N 0.797 120.999 120.200 0.004 0.000 2.153 200 E HA -0.193 4.157 4.350 0.001 0.000 0.194 200 E C 1.280 177.882 176.600 0.004 0.000 0.988 200 E CA 1.557 57.960 56.400 0.004 0.000 0.811 200 E CB -0.190 29.512 29.700 0.004 0.000 0.746 200 E HN 0.875 nan 8.360 nan 0.000 0.466 201 D N 0.554 120.956 120.400 0.003 0.000 2.234 201 D HA -0.040 4.600 4.640 0.001 0.000 0.205 201 D C 1.798 178.100 176.300 0.003 0.000 0.962 201 D CA 1.087 55.089 54.000 0.003 0.000 0.855 201 D CB -0.264 40.537 40.800 0.002 0.000 0.951 201 D HN 0.054 nan 8.370 nan 0.000 0.500 202 A N 1.211 124.034 122.820 0.004 0.000 1.902 202 A HA -0.089 4.231 4.320 0.001 0.000 0.217 202 A C 2.338 179.926 177.584 0.007 0.000 1.181 202 A CA 1.113 53.153 52.037 0.005 0.000 0.623 202 A CB -0.527 18.477 19.000 0.006 0.000 0.818 202 A HN 0.214 nan 8.150 nan 0.000 0.443 203 I N -0.200 120.374 120.570 0.007 0.000 2.353 203 I HA -0.164 4.006 4.170 0.001 0.000 0.248 203 I C 2.888 179.009 176.117 0.007 0.000 1.119 203 I CA 1.308 62.613 61.300 0.008 0.000 1.417 203 I CB -1.546 36.458 38.000 0.007 0.000 1.078 203 I HN 0.360 nan 8.210 nan 0.000 0.421 204 A N 0.677 123.500 122.820 0.005 0.000 1.930 204 A HA -0.217 4.103 4.320 0.001 0.000 0.217 204 A C 2.537 180.123 177.584 0.003 0.000 1.175 204 A CA 1.530 53.569 52.037 0.004 0.000 0.627 204 A CB -0.606 18.396 19.000 0.003 0.000 0.815 204 A HN 0.330 nan 8.150 nan 0.000 0.443 205 R N -0.343 120.159 120.500 0.003 0.000 2.073 205 R HA -0.105 4.236 4.340 0.001 0.000 0.234 205 R C 2.330 178.632 176.300 0.004 0.000 1.134 205 R CA 1.517 57.618 56.100 0.002 0.000 0.952 205 R CB -0.438 29.864 30.300 0.003 0.000 0.850 205 R HN 0.423 nan 8.270 nan 0.000 0.433 206 A N 0.757 123.582 122.820 0.008 0.000 1.883 206 A HA -0.145 4.175 4.320 0.001 0.000 0.217 206 A C 2.382 179.972 177.584 0.010 0.000 1.186 206 A CA 1.848 53.891 52.037 0.012 0.000 0.624 206 A CB -0.922 18.087 19.000 0.016 0.000 0.822 206 A HN 0.563 nan 8.150 nan 0.000 0.444 207 A N -0.069 122.756 122.820 0.008 0.000 1.902 207 A HA -0.211 4.109 4.320 0.001 0.000 0.217 207 A C 1.823 179.409 177.584 0.004 0.000 1.181 207 A CA 2.256 54.298 52.037 0.008 0.000 0.623 207 A CB -0.761 18.243 19.000 0.007 0.000 0.818 207 A HN 0.613 nan 8.150 nan 0.000 0.443 208 D N -0.201 120.199 120.400 0.001 0.000 2.097 208 D HA -0.141 4.500 4.640 0.001 0.000 0.195 208 D C 1.828 178.123 176.300 -0.008 0.000 0.989 208 D CA 1.418 55.416 54.000 -0.003 0.000 0.827 208 D CB -0.219 40.578 40.800 -0.005 0.000 0.966 208 D HN 0.415 nan 8.370 nan 0.000 0.456 209 L N 0.008 121.226 121.223 -0.009 0.000 2.046 209 L HA -0.120 4.220 4.340 0.001 0.000 0.208 209 L C 2.610 179.470 176.870 -0.018 0.000 1.077 209 L CA 0.756 55.586 54.840 -0.018 0.000 0.747 209 L CB -0.386 41.663 42.059 -0.016 0.000 0.896 209 L HN 0.201 nan 8.230 nan 0.000 0.432 210 I N -0.236 120.331 120.570 -0.005 0.000 2.202 210 I HA -0.288 3.882 4.170 0.001 0.000 0.242 210 I C 2.444 178.561 176.117 0.000 0.000 1.091 210 I CA 1.363 62.664 61.300 0.003 0.000 1.368 210 I CB -0.243 37.767 38.000 0.017 0.000 1.058 210 I HN 0.175 nan 8.210 nan 0.000 0.410 211 K N 0.481 120.882 120.400 0.001 0.000 2.280 211 K HA -0.104 4.217 4.320 0.001 0.000 0.202 211 K C 1.237 177.832 176.600 -0.008 0.000 1.047 211 K CA 0.919 57.207 56.287 0.001 0.000 0.942 211 K CB -0.108 32.393 32.500 0.002 0.000 0.739 211 K HN 0.371 nan 8.250 nan 0.000 0.457 212 N N 0.082 118.771 118.700 -0.018 0.000 2.205 212 N HA 0.069 4.809 4.740 0.001 0.000 0.201 212 N C -0.276 175.206 175.510 -0.047 0.000 1.128 212 N CA 0.010 53.043 53.050 -0.028 0.000 0.867 212 N CB 0.752 39.222 38.487 -0.028 0.000 0.996 212 N HN 0.037 nan 8.380 nan 0.000 0.503 213 A N 1.221 124.009 122.820 -0.054 0.000 2.462 213 A HA 0.119 4.440 4.320 0.001 0.000 0.243 213 A C 1.221 178.738 177.584 -0.112 0.000 1.076 213 A CA 0.157 52.139 52.037 -0.093 0.000 0.773 213 A CB 0.655 19.602 19.000 -0.087 0.000 1.010 213 A HN 0.019 nan 8.150 nan 0.000 0.493 214 K N 1.256 121.551 120.400 -0.175 0.000 2.276 214 K HA 0.074 4.394 4.320 0.001 0.000 0.198 214 K C 0.178 176.551 176.600 -0.378 0.000 1.052 214 K CA 0.776 56.947 56.287 -0.192 0.000 0.984 214 K CB 0.416 32.812 32.500 -0.172 0.000 0.836 214 K HN 0.726 nan 8.250 nan 0.000 0.490 215 R N 1.315 121.436 120.500 -0.632 0.000 2.638 215 R HA 0.200 4.540 4.340 0.001 0.000 0.261 215 R C -2.720 173.025 176.300 -0.925 0.000 1.515 215 R CA -1.168 54.034 56.100 -1.498 0.000 1.623 215 R CB 1.387 30.587 30.300 -1.834 0.000 1.347 215 R HN 0.024 nan 8.270 nan 0.000 0.705 216 P HA 0.132 nan 4.420 nan 0.000 0.278 216 P C -0.197 177.257 177.300 0.256 0.000 1.238 216 P CA -0.243 62.847 63.100 -0.017 0.000 0.794 216 P CB 1.678 33.401 31.700 0.038 0.000 0.955 217 V N 0.694 120.743 119.914 0.225 0.000 2.962 217 V HA 0.623 4.743 4.120 0.001 0.000 0.313 217 V C -0.492 175.732 176.094 0.216 0.000 1.099 217 V CA -1.163 61.302 62.300 0.274 0.000 0.971 217 V CB 2.048 34.043 31.823 0.286 0.000 1.028 217 V HN 0.308 nan 8.190 nan 0.000 0.430 218 I N 4.140 124.844 120.570 0.223 0.000 2.377 218 I HA 0.496 4.666 4.170 0.001 0.000 0.293 218 I C -0.296 175.952 176.117 0.218 0.000 0.987 218 I CA -0.541 60.878 61.300 0.199 0.000 1.185 218 I CB 1.948 40.051 38.000 0.172 0.000 1.341 218 I HN 0.460 nan 8.210 nan 0.000 0.455 219 M N 7.517 127.232 119.600 0.193 0.000 2.101 219 M HA 0.437 4.918 4.480 0.001 0.000 0.340 219 M C -0.735 175.651 176.300 0.142 0.000 1.057 219 M CA -0.428 54.979 55.300 0.178 0.000 0.984 219 M CB 1.173 33.890 32.600 0.196 0.000 1.560 219 M HN 0.373 nan 8.290 nan 0.000 0.435 220 L N 2.775 124.087 121.223 0.149 0.000 2.275 220 L HA 0.715 5.056 4.340 0.001 0.000 0.288 220 L C 0.838 177.765 176.870 0.095 0.000 1.046 220 L CA -0.524 54.385 54.840 0.115 0.000 0.805 220 L CB 1.321 43.455 42.059 0.125 0.000 1.193 220 L HN 0.760 nan 8.230 nan 0.000 0.426 221 G N 1.460 110.307 108.800 0.078 0.000 2.667 221 G HA2 0.336 4.296 3.960 0.001 0.000 0.310 221 G HA3 0.336 4.296 3.960 0.001 0.000 0.310 221 G C 0.500 175.462 174.900 0.102 0.000 1.259 221 G CA -0.562 44.577 45.100 0.065 0.000 1.019 221 G HN 0.777 nan 8.290 nan 0.000 0.496 222 K N -1.128 119.338 120.400 0.111 0.000 2.365 222 K HA 0.062 4.382 4.320 0.001 0.000 0.199 222 K C 1.989 178.773 176.600 0.306 0.000 1.045 222 K CA 1.155 57.572 56.287 0.217 0.000 0.962 222 K CB -0.137 32.460 32.500 0.161 0.000 0.759 222 K HN 0.451 nan 8.250 nan 0.000 0.469 223 G N 1.572 110.485 108.800 0.188 0.000 2.422 223 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 223 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 223 G C 1.699 176.725 174.900 0.209 0.000 1.146 223 G CA 0.859 46.072 45.100 0.188 0.000 0.769 223 G HN 0.449 nan 8.290 nan 0.000 0.547 224 A N 1.085 123.993 122.820 0.146 0.000 1.898 224 A HA 0.305 4.625 4.320 0.001 0.000 0.216 224 A C 2.807 180.454 177.584 0.104 0.000 1.181 224 A CA 2.187 54.287 52.037 0.105 0.000 0.620 224 A CB -0.727 18.315 19.000 0.071 0.000 0.819 224 A HN 0.740 nan 8.150 nan 0.000 0.442 225 A N -1.426 121.484 122.820 0.151 0.000 1.873 225 A HA -0.110 4.211 4.320 0.001 0.000 0.215 225 A C 2.136 179.754 177.584 0.056 0.000 1.186 225 A CA 1.588 53.697 52.037 0.121 0.000 0.616 225 A CB -0.913 18.221 19.000 0.223 0.000 0.823 225 A HN 0.749 nan 8.150 nan 0.000 0.442 226 Y N 0.872 121.199 120.300 0.044 0.000 2.256 226 Y HA -0.156 4.394 4.550 0.001 0.000 0.288 226 Y C 2.439 178.294 175.900 -0.073 0.000 1.155 226 Y CA 1.213 59.266 58.100 -0.078 0.000 1.203 226 Y CB -0.341 38.201 38.460 0.137 0.000 0.980 226 Y HN 0.302 nan 8.280 nan 0.000 0.530 227 A N -0.095 122.724 122.820 -0.000 0.000 2.121 227 A HA -0.145 4.176 4.320 0.001 0.000 0.218 227 A C 1.081 178.578 177.584 -0.144 0.000 1.154 227 A CA 1.066 53.069 52.037 -0.057 0.000 0.679 227 A CB -0.529 18.500 19.000 0.048 0.000 0.795 227 A HN 0.650 nan 8.150 nan 0.000 0.458 228 Q N -2.037 117.669 119.800 -0.157 0.000 2.460 228 Q HA -0.204 4.137 4.340 0.001 0.000 0.311 228 Q C -0.190 175.755 176.000 -0.092 0.000 1.396 228 Q CA 0.512 56.228 55.803 -0.145 0.000 0.838 228 Q CB -2.559 26.061 28.738 -0.196 0.000 1.140 228 Q HN 1.115 nan 8.270 nan 0.000 0.415 229 C N -2.493 116.768 119.300 -0.065 0.000 3.401 229 C HA 0.340 4.800 4.460 0.001 0.000 0.204 229 C C 1.030 175.990 174.990 -0.049 0.000 1.522 229 C CA -0.918 58.070 59.018 -0.049 0.000 1.409 229 C CB 0.270 27.989 27.740 -0.035 0.000 1.967 229 C HN 0.324 nan 8.230 nan 0.000 0.496 230 D N 1.340 121.707 120.400 -0.055 0.000 2.149 230 D HA -0.103 4.537 4.640 0.001 0.000 0.201 230 D C 1.264 177.527 176.300 -0.062 0.000 0.972 230 D CA 1.524 55.489 54.000 -0.058 0.000 0.835 230 D CB 0.120 40.889 40.800 -0.052 0.000 0.966 230 D HN 0.546 nan 8.370 nan 0.000 0.476 231 D N 0.836 121.207 120.400 -0.049 0.000 2.178 231 D HA -0.093 4.547 4.640 0.001 0.000 0.202 231 D C 1.936 178.209 176.300 -0.045 0.000 0.974 231 D CA 0.749 54.723 54.000 -0.043 0.000 0.841 231 D CB -0.063 40.719 40.800 -0.030 0.000 0.953 231 D HN 0.228 nan 8.370 nan 0.000 0.478 232 E N 0.345 120.518 120.200 -0.043 0.000 2.046 232 E HA -0.007 4.343 4.350 0.001 0.000 0.190 232 E C 2.245 178.815 176.600 -0.051 0.000 0.982 232 E CA 0.375 56.752 56.400 -0.038 0.000 0.800 232 E CB -0.109 29.573 29.700 -0.030 0.000 0.756 232 E HN 0.283 nan 8.360 nan 0.000 0.449 233 I N 0.519 121.050 120.570 -0.066 0.000 2.315 233 I HA -0.227 3.944 4.170 0.001 0.000 0.248 233 I C 2.564 178.592 176.117 -0.149 0.000 1.117 233 I CA 0.935 62.180 61.300 -0.092 0.000 1.404 233 I CB -0.145 37.800 38.000 -0.092 0.000 1.071 233 I HN 0.026 nan 8.210 nan 0.000 0.419 234 R N 1.325 121.730 120.500 -0.159 0.000 2.096 234 R HA -0.159 4.181 4.340 0.001 0.000 0.235 234 R C 2.331 178.556 176.300 -0.124 0.000 1.127 234 R CA 1.524 57.504 56.100 -0.200 0.000 0.968 234 R CB -0.205 30.009 30.300 -0.144 0.000 0.861 234 R HN 0.336 nan 8.270 nan 0.000 0.440 235 A N 1.004 123.782 122.820 -0.071 0.000 1.930 235 A HA -0.141 4.179 4.320 0.001 0.000 0.217 235 A C 2.017 179.581 177.584 -0.033 0.000 1.175 235 A CA 1.188 53.203 52.037 -0.036 0.000 0.627 235 A CB -0.558 18.427 19.000 -0.024 0.000 0.815 235 A HN 0.399 nan 8.150 nan 0.000 0.443 236 L N -0.049 121.146 121.223 -0.047 0.000 2.017 236 L HA -0.112 4.228 4.340 0.001 0.000 0.208 236 L C 2.377 179.227 176.870 -0.033 0.000 1.073 236 L CA 1.978 56.798 54.840 -0.032 0.000 0.745 236 L CB -0.554 41.485 42.059 -0.033 0.000 0.894 236 L HN 0.145 nan 8.230 nan 0.000 0.432 237 V N -0.112 119.749 119.914 -0.087 0.000 2.287 237 V HA -0.302 3.819 4.120 0.001 0.000 0.248 237 V C 2.529 178.615 176.094 -0.013 0.000 1.053 237 V CA 2.236 64.479 62.300 -0.094 0.000 1.027 237 V CB -0.664 30.966 31.823 -0.322 0.000 0.646 237 V HN 0.523 nan 8.190 nan 0.000 0.447 238 E N -0.323 119.871 120.200 -0.011 0.000 2.072 238 E HA -0.200 4.151 4.350 0.001 0.000 0.190 238 E C 2.248 178.880 176.600 0.053 0.000 0.982 238 E CA 1.218 57.656 56.400 0.062 0.000 0.803 238 E CB -0.110 29.636 29.700 0.078 0.000 0.755 238 E HN 0.683 nan 8.360 nan 0.000 0.453 239 E N 0.065 120.283 120.200 0.030 0.000 2.106 239 E HA -0.140 4.210 4.350 0.001 0.000 0.192 239 E C 2.207 178.830 176.600 0.038 0.000 0.984 239 E CA 1.680 58.098 56.400 0.029 0.000 0.806 239 E CB -0.036 29.674 29.700 0.017 0.000 0.750 239 E HN 0.307 nan 8.360 nan 0.000 0.458 240 T N -2.906 111.672 114.554 0.041 0.000 3.043 240 T HA 0.108 4.458 4.350 0.001 0.000 0.263 240 T C 1.713 176.459 174.700 0.076 0.000 1.094 240 T CA 0.537 62.669 62.100 0.053 0.000 1.127 240 T CB 0.113 69.013 68.868 0.052 0.000 0.905 240 T HN 0.289 nan 8.240 nan 0.000 0.490 241 G N 1.555 110.407 108.800 0.088 0.000 2.153 241 G HA2 -0.233 3.727 3.960 0.001 0.000 0.252 241 G HA3 -0.233 3.727 3.960 0.001 0.000 0.252 241 G C 0.044 175.033 174.900 0.148 0.000 0.994 241 G CA 0.233 45.401 45.100 0.114 0.000 0.698 241 G HN 0.689 nan 8.290 nan 0.000 0.521 242 I N 1.748 122.410 120.570 0.152 0.000 2.416 242 I HA 0.240 4.410 4.170 0.001 0.000 0.288 242 I C -1.702 174.559 176.117 0.240 0.000 1.051 242 I CA -2.246 59.173 61.300 0.198 0.000 1.375 242 I CB 1.071 39.173 38.000 0.170 0.000 1.407 242 I HN -0.133 nan 8.210 nan 0.000 0.516 243 P HA 0.016 nan 4.420 nan 0.000 0.266 243 P C -0.943 176.510 177.300 0.255 0.000 1.195 243 P CA 0.248 63.462 63.100 0.189 0.000 0.768 243 P CB 0.232 31.973 31.700 0.070 0.000 0.838 244 F N 1.953 121.931 119.950 0.046 0.000 2.603 244 F HA 0.811 5.338 4.527 0.001 0.000 0.317 244 F C -1.823 173.994 175.800 0.027 0.000 1.066 244 F CA -1.571 56.452 58.000 0.038 0.000 0.941 244 F CB 1.026 40.027 39.000 0.001 0.000 1.291 244 F HN -0.043 nan 8.300 nan 0.000 0.472 245 L N 2.962 124.218 121.223 0.056 0.000 2.410 245 L HA 0.634 4.975 4.340 0.001 0.000 0.270 245 L C -2.721 174.219 176.870 0.117 0.000 0.983 245 L CA -1.697 53.113 54.840 -0.050 0.000 0.822 245 L CB 2.438 44.478 42.059 -0.031 0.000 1.285 245 L HN 0.462 nan 8.230 nan 0.000 0.409 246 P HA 0.371 nan 4.420 nan 0.000 0.292 246 P C -0.935 176.397 177.300 0.054 0.000 1.283 246 P CA -0.641 62.535 63.100 0.127 0.000 0.835 246 P CB 1.295 33.086 31.700 0.151 0.000 1.017 247 M N 1.500 121.129 119.600 0.049 0.000 2.163 247 M HA 0.166 4.646 4.480 0.001 0.000 0.305 247 M C 2.119 178.429 176.300 0.016 0.000 1.166 247 M CA 0.152 55.455 55.300 0.005 0.000 1.132 247 M CB -0.437 32.154 32.600 -0.014 0.000 1.413 247 M HN 0.589 nan 8.290 nan 0.000 0.478 248 G N 1.156 109.951 108.800 -0.008 0.000 2.703 248 G HA2 -0.257 3.704 3.960 0.001 0.000 0.222 248 G HA3 -0.257 3.704 3.960 0.001 0.000 0.222 248 G C 1.205 176.132 174.900 0.045 0.000 1.183 248 G CA 1.167 46.274 45.100 0.012 0.000 0.775 248 G HN 0.656 nan 8.290 nan 0.000 0.615 249 M N 0.793 120.424 119.600 0.051 0.000 2.495 249 M HA 0.303 4.783 4.480 0.001 0.000 0.237 249 M C 2.473 178.856 176.300 0.139 0.000 1.131 249 M CA 0.448 55.798 55.300 0.083 0.000 1.032 249 M CB 0.561 33.175 32.600 0.024 0.000 1.513 249 M HN 0.325 nan 8.290 nan 0.000 0.488 250 A N 0.323 123.213 122.820 0.117 0.000 2.218 250 A HA 0.071 4.391 4.320 0.001 0.000 0.209 250 A C 0.699 178.357 177.584 0.123 0.000 1.168 250 A CA 0.133 52.247 52.037 0.129 0.000 0.804 250 A CB -0.182 18.888 19.000 0.116 0.000 0.834 250 A HN 0.294 nan 8.150 nan 0.000 0.482 251 K N -0.376 120.089 120.400 0.109 0.000 2.511 251 K HA 0.273 4.593 4.320 0.001 0.000 0.280 251 K C 1.237 177.900 176.600 0.105 0.000 1.008 251 K CA 0.825 57.175 56.287 0.106 0.000 1.050 251 K CB 0.045 32.594 32.500 0.081 0.000 0.889 251 K HN 0.573 nan 8.250 nan 0.000 0.484 252 G N 1.939 110.803 108.800 0.107 0.000 2.225 252 G HA2 -0.281 3.680 3.960 0.001 0.000 0.254 252 G HA3 -0.281 3.680 3.960 0.001 0.000 0.254 252 G C 0.619 175.556 174.900 0.062 0.000 0.988 252 G CA 0.260 45.410 45.100 0.084 0.000 0.625 252 G HN 0.529 nan 8.290 nan 0.000 0.527 253 L N 0.071 121.332 121.223 0.062 0.000 1.971 253 L HA 0.284 4.624 4.340 0.001 0.000 0.215 253 L C 1.286 178.140 176.870 -0.027 0.000 1.072 253 L CA 1.940 56.792 54.840 0.019 0.000 0.758 253 L CB -0.844 41.231 42.059 0.027 0.000 0.889 253 L HN 0.338 nan 8.230 nan 0.000 0.433 254 L N 0.182 121.377 121.223 -0.047 0.000 2.343 254 L HA 0.412 4.752 4.340 0.001 0.000 0.275 254 L C -2.085 174.843 176.870 0.095 0.000 1.056 254 L CA -1.705 53.091 54.840 -0.075 0.000 0.804 254 L CB 0.389 42.206 42.059 -0.402 0.000 1.203 254 L HN -0.012 nan 8.230 nan 0.000 0.440 255 P HA 0.009 nan 4.420 nan 0.000 0.262 255 P C -0.256 177.171 177.300 0.212 0.000 1.182 255 P CA 0.072 63.261 63.100 0.149 0.000 0.761 255 P CB 0.513 32.295 31.700 0.137 0.000 0.795 256 D N 1.565 122.056 120.400 0.152 0.000 2.263 256 D HA -0.130 4.510 4.640 0.001 0.000 0.208 256 D C 1.195 177.563 176.300 0.113 0.000 0.971 256 D CA 1.210 55.291 54.000 0.134 0.000 0.867 256 D CB -0.531 40.317 40.800 0.079 0.000 0.929 256 D HN 0.612 nan 8.370 nan 0.000 0.492 257 N N -0.333 118.431 118.700 0.108 0.000 2.362 257 N HA -0.117 4.624 4.740 0.001 0.000 0.204 257 N C 0.557 176.133 175.510 0.110 0.000 1.166 257 N CA -0.312 52.784 53.050 0.077 0.000 0.831 257 N CB -0.021 38.489 38.487 0.039 0.000 1.008 257 N HN 0.101 nan 8.380 nan 0.000 0.472 258 H N 2.471 121.610 119.070 0.116 0.000 3.001 258 H HA 0.039 4.595 4.556 0.001 0.000 0.334 258 H C -1.230 174.169 175.328 0.119 0.000 1.034 258 H CA -0.799 55.343 56.048 0.158 0.000 1.420 258 H CB 1.472 31.424 29.762 0.317 0.000 1.405 258 H HN 0.208 nan 8.280 nan 0.000 0.593 259 P HA -0.102 nan 4.420 nan 0.000 0.225 259 P C 0.562 177.940 177.300 0.131 0.000 1.148 259 P CA 1.100 64.202 63.100 0.004 0.000 0.779 259 P CB 0.272 31.917 31.700 -0.091 0.000 0.780 260 Q N -0.595 119.465 119.800 0.434 0.000 2.360 260 Q HA 0.097 4.437 4.340 0.001 0.000 0.202 260 Q C 0.753 176.822 176.000 0.115 0.000 0.915 260 Q CA -0.094 55.933 55.803 0.373 0.000 0.943 260 Q CB 0.081 29.145 28.738 0.543 0.000 1.064 260 Q HN 0.078 nan 8.270 nan 0.000 0.511 261 S N 0.133 115.763 115.700 -0.117 0.000 2.516 261 S HA 0.276 4.747 4.470 0.001 0.000 0.282 261 S C 0.577 174.934 174.600 -0.405 0.000 1.286 261 S CA -0.163 57.587 58.200 -0.751 0.000 1.066 261 S CB 0.931 63.815 63.200 -0.527 0.000 0.884 261 S HN 0.359 nan 8.310 nan 0.000 0.491 262 A N 4.518 127.083 122.820 -0.426 0.000 2.423 262 A HA 0.573 4.893 4.320 0.001 0.000 0.246 262 A C 1.862 179.323 177.584 -0.204 0.000 1.278 262 A CA 0.460 52.349 52.037 -0.247 0.000 0.903 262 A CB -0.532 18.358 19.000 -0.182 0.000 0.997 262 A HN 1.048 nan 8.150 nan 0.000 0.510 263 A N 0.260 122.935 122.820 -0.242 0.000 1.940 263 A HA 0.120 4.440 4.320 0.001 0.000 0.219 263 A C 2.179 179.693 177.584 -0.115 0.000 1.176 263 A CA 1.705 53.644 52.037 -0.164 0.000 0.631 263 A CB -0.616 18.291 19.000 -0.155 0.000 0.814 263 A HN 1.129 nan 8.150 nan 0.000 0.446 264 A N -1.892 120.859 122.820 -0.115 0.000 2.239 264 A HA 0.239 4.559 4.320 0.001 0.000 0.209 264 A C 1.414 178.946 177.584 -0.088 0.000 1.171 264 A CA 1.570 53.554 52.037 -0.089 0.000 0.768 264 A CB -0.488 18.462 19.000 -0.083 0.000 0.790 264 A HN 0.416 nan 8.150 nan 0.000 0.478 265 T N -1.579 112.919 114.554 -0.092 0.000 3.748 265 T HA 0.191 4.542 4.350 0.001 0.000 0.281 265 T C 1.120 175.801 174.700 -0.031 0.000 0.977 265 T CA -0.254 61.806 62.100 -0.066 0.000 1.056 265 T CB -0.500 68.310 68.868 -0.096 0.000 1.138 265 T HN 0.511 nan 8.240 nan 0.000 0.498 266 R N 0.680 121.145 120.500 -0.058 0.000 2.070 266 R HA -0.019 4.321 4.340 0.001 0.000 0.233 266 R C 2.416 178.663 176.300 -0.087 0.000 1.137 266 R CA 1.941 57.993 56.100 -0.081 0.000 0.945 266 R CB -0.516 29.724 30.300 -0.100 0.000 0.845 266 R HN 0.449 nan 8.270 nan 0.000 0.430 267 A N 0.586 123.368 122.820 -0.064 0.000 1.892 267 A HA -0.243 4.078 4.320 0.001 0.000 0.218 267 A C 2.065 179.634 177.584 -0.024 0.000 1.188 267 A CA 1.683 53.677 52.037 -0.071 0.000 0.631 267 A CB -0.943 18.040 19.000 -0.028 0.000 0.822 267 A HN 0.556 nan 8.150 nan 0.000 0.447 268 F N 0.646 120.546 119.950 -0.084 0.000 2.113 268 F HA -0.019 4.508 4.527 0.001 0.000 0.297 268 F C 2.577 178.385 175.800 0.013 0.000 1.103 268 F CA 1.178 59.156 58.000 -0.038 0.000 1.248 268 F CB -0.442 38.527 39.000 -0.051 0.000 0.999 268 F HN 0.262 nan 8.300 nan 0.000 0.475 269 A N 0.671 123.549 122.820 0.097 0.000 1.865 269 A HA -0.170 4.150 4.320 0.001 0.000 0.217 269 A C 2.290 179.901 177.584 0.044 0.000 1.191 269 A CA 1.999 54.102 52.037 0.109 0.000 0.623 269 A CB -1.226 17.807 19.000 0.054 0.000 0.826 269 A HN 0.477 nan 8.150 nan 0.000 0.444 270 L N -1.077 120.051 121.223 -0.159 0.000 2.093 270 L HA -0.135 4.206 4.340 0.001 0.000 0.208 270 L C 3.061 179.759 176.870 -0.286 0.000 1.085 270 L CA 0.971 55.572 54.840 -0.399 0.000 0.755 270 L CB -0.605 40.907 42.059 -0.911 0.000 0.904 270 L HN 0.451 nan 8.230 nan 0.000 0.435 271 A N -0.743 121.928 122.820 -0.248 0.000 1.930 271 A HA -0.156 4.164 4.320 0.001 0.000 0.217 271 A C 2.168 179.659 177.584 -0.155 0.000 1.175 271 A CA 1.188 53.124 52.037 -0.168 0.000 0.627 271 A CB -0.148 18.750 19.000 -0.170 0.000 0.815 271 A HN 0.393 nan 8.150 nan 0.000 0.443 272 Q N -0.669 118.994 119.800 -0.230 0.000 2.352 272 Q HA 0.085 4.426 4.340 0.001 0.000 0.212 272 Q C 1.165 177.025 176.000 -0.232 0.000 0.888 272 Q CA 0.545 56.199 55.803 -0.249 0.000 0.934 272 Q CB -0.712 27.750 28.738 -0.460 0.000 1.093 272 Q HN 0.830 nan 8.270 nan 0.000 0.523 273 C N 1.851 121.073 119.300 -0.130 0.000 2.727 273 C HA 0.171 4.631 4.460 0.001 0.000 0.401 273 C C 1.485 176.333 174.990 -0.237 0.000 1.294 273 C CA -0.163 58.707 59.018 -0.245 0.000 2.134 273 C CB 0.522 28.276 27.740 0.025 0.000 2.724 273 C HN 0.486 nan 8.230 nan 0.000 0.677 274 D N 0.937 121.156 120.400 -0.301 0.000 2.615 274 D HA 0.074 4.714 4.640 0.001 0.000 0.259 274 D C 0.288 176.473 176.300 -0.192 0.000 0.999 274 D CA 0.344 54.210 54.000 -0.224 0.000 0.938 274 D CB -0.376 40.286 40.800 -0.230 0.000 1.121 274 D HN 0.477 nan 8.370 nan 0.000 0.487 275 V N 0.818 120.632 119.914 -0.167 0.000 2.459 275 V HA 0.374 4.494 4.120 0.001 0.000 0.295 275 V C -0.503 175.565 176.094 -0.044 0.000 1.029 275 V CA -1.102 61.127 62.300 -0.119 0.000 0.874 275 V CB 1.844 33.619 31.823 -0.080 0.000 0.985 275 V HN 0.480 nan 8.190 nan 0.000 0.438 276 C N 6.335 125.614 119.300 -0.035 0.000 2.322 276 C HA 0.712 5.172 4.460 0.001 0.000 0.324 276 C C -0.295 174.805 174.990 0.183 0.000 1.249 276 C CA -0.370 58.727 59.018 0.132 0.000 1.453 276 C CB 0.396 28.286 27.740 0.250 0.000 2.145 276 C HN 0.685 nan 8.230 nan 0.000 0.466 277 V N 8.229 128.243 119.914 0.165 0.000 2.334 277 V HA 0.305 4.426 4.120 0.001 0.000 0.267 277 V C 0.136 176.315 176.094 0.142 0.000 1.040 277 V CA -0.098 62.283 62.300 0.135 0.000 0.866 277 V CB 0.823 32.705 31.823 0.100 0.000 1.019 277 V HN 0.756 nan 8.190 nan 0.000 0.468 278 L N 6.626 127.924 121.223 0.125 0.000 2.260 278 L HA 0.519 4.860 4.340 0.001 0.000 0.289 278 L C -0.234 176.671 176.870 0.058 0.000 1.057 278 L CA -0.008 54.885 54.840 0.088 0.000 0.811 278 L CB 0.789 42.868 42.059 0.033 0.000 1.184 278 L HN 0.498 nan 8.230 nan 0.000 0.429 279 I N 3.401 124.007 120.570 0.061 0.000 2.405 279 I HA 0.288 4.459 4.170 0.001 0.000 0.280 279 I C 0.963 177.108 176.117 0.048 0.000 1.027 279 I CA -0.475 60.854 61.300 0.048 0.000 1.161 279 I CB 1.312 39.339 38.000 0.045 0.000 1.300 279 I HN 0.864 nan 8.210 nan 0.000 0.463 280 G N 4.827 113.649 108.800 0.037 0.000 2.273 280 G HA2 -0.119 3.841 3.960 0.001 0.000 0.280 280 G HA3 -0.119 3.841 3.960 0.001 0.000 0.280 280 G C 0.052 174.967 174.900 0.025 0.000 1.047 280 G CA 0.294 45.418 45.100 0.039 0.000 0.869 280 G HN 0.953 nan 8.290 nan 0.000 0.502 281 A N -0.185 122.639 122.820 0.006 0.000 2.353 281 A HA 0.828 5.148 4.320 0.001 0.000 0.299 281 A C 0.235 177.791 177.584 -0.048 0.000 1.089 281 A CA -0.620 51.410 52.037 -0.013 0.000 0.736 281 A CB 1.101 20.111 19.000 0.016 0.000 1.195 281 A HN 0.437 nan 8.150 nan 0.000 0.447 282 R N 1.108 121.564 120.500 -0.073 0.000 2.441 282 R HA 0.307 4.647 4.340 0.001 0.000 0.284 282 R C -0.396 175.833 176.300 -0.117 0.000 1.070 282 R CA -0.709 55.336 56.100 -0.092 0.000 1.047 282 R CB 0.843 31.095 30.300 -0.081 0.000 1.016 282 R HN 0.546 nan 8.270 nan 0.000 0.477 283 L N 4.808 125.940 121.223 -0.151 0.000 2.821 283 L HA 0.035 4.375 4.340 0.001 0.000 0.239 283 L C 0.019 176.819 176.870 -0.116 0.000 1.391 283 L CA 0.187 54.911 54.840 -0.192 0.000 1.231 283 L CB -1.362 40.487 42.059 -0.349 0.000 1.598 283 L HN 0.600 nan 8.230 nan 0.000 0.428 284 N N -1.518 117.101 118.700 -0.135 0.000 2.645 284 N HA 0.064 4.804 4.740 0.001 0.000 0.308 284 N C 1.268 176.508 175.510 -0.450 0.000 1.335 284 N CA -0.120 52.863 53.050 -0.111 0.000 0.909 284 N CB -0.495 37.996 38.487 0.007 0.000 1.109 284 N HN 0.309 nan 8.380 nan 0.000 0.555 285 W N -0.547 120.502 121.300 -0.419 0.000 2.374 285 W HA -0.011 4.650 4.660 0.001 0.000 0.288 285 W C 1.117 177.513 176.519 -0.205 0.000 1.218 285 W CA 0.367 57.458 57.345 -0.424 0.000 1.245 285 W CB -1.246 28.178 29.460 -0.060 0.000 1.126 285 W HN 0.275 nan 8.180 nan 0.000 0.545 286 L N 0.889 121.439 121.223 -1.122 0.000 2.265 286 L HA -0.131 4.209 4.340 0.001 0.000 0.215 286 L C 2.352 178.986 176.870 -0.393 0.000 1.117 286 L CA 1.194 55.459 54.840 -0.959 0.000 0.782 286 L CB -0.477 41.046 42.059 -0.893 0.000 0.914 286 L HN -0.056 nan 8.230 nan 0.000 0.441 287 M N -1.068 118.386 119.600 -0.243 0.000 2.484 287 M HA 0.130 4.610 4.480 0.001 0.000 0.307 287 M C -0.014 176.398 176.300 0.187 0.000 1.149 287 M CA 0.016 55.346 55.300 0.050 0.000 0.972 287 M CB 0.829 33.525 32.600 0.160 0.000 1.400 287 M HN 0.017 nan 8.290 nan 0.000 0.508 288 Q N 0.096 119.881 119.800 -0.024 0.000 2.461 288 Q HA -0.212 4.128 4.340 0.001 0.000 0.273 288 Q C -0.078 175.999 176.000 0.128 0.000 1.163 288 Q CA 0.996 56.838 55.803 0.065 0.000 0.929 288 Q CB -2.473 26.392 28.738 0.212 0.000 1.334 288 Q HN 0.617 nan 8.270 nan 0.000 0.499 289 H N -4.243 114.896 119.070 0.115 0.000 3.080 289 H HA -0.238 4.319 4.556 0.001 0.000 0.254 289 H C 1.252 176.513 175.328 -0.112 0.000 1.179 289 H CA 1.695 57.748 56.048 0.008 0.000 1.144 289 H CB -1.748 28.037 29.762 0.039 0.000 1.261 289 H HN 1.049 nan 8.280 nan 0.000 0.333 290 G N 0.346 109.067 108.800 -0.132 0.000 2.153 290 G HA2 -0.336 3.625 3.960 0.001 0.000 0.252 290 G HA3 -0.336 3.625 3.960 0.001 0.000 0.252 290 G C 0.308 175.005 174.900 -0.339 0.000 0.994 290 G CA 1.149 45.861 45.100 -0.648 0.000 0.698 290 G HN 0.828 nan 8.290 nan 0.000 0.521 291 K N -1.084 119.361 120.400 0.076 0.000 2.409 291 K HA 0.835 5.155 4.320 0.001 0.000 0.252 291 K C 0.684 177.463 176.600 0.298 0.000 1.036 291 K CA -0.563 55.828 56.287 0.174 0.000 0.871 291 K CB 1.701 34.266 32.500 0.108 0.000 1.374 291 K HN 1.712 nan 8.250 nan 0.000 0.459 292 G N 0.842 109.767 108.800 0.209 0.000 2.725 292 G HA2 -0.333 3.627 3.960 0.001 0.000 0.220 292 G HA3 -0.333 3.627 3.960 0.001 0.000 0.220 292 G C 0.348 175.351 174.900 0.171 0.000 1.357 292 G CA 0.211 45.414 45.100 0.171 0.000 0.866 292 G HN 0.904 nan 8.290 nan 0.000 0.548 293 K N -1.469 118.995 120.400 0.107 0.000 2.360 293 K HA -0.037 4.284 4.320 0.001 0.000 0.201 293 K C 2.092 178.708 176.600 0.027 0.000 1.046 293 K CA 2.257 58.583 56.287 0.065 0.000 0.945 293 K CB -0.432 32.092 32.500 0.040 0.000 0.750 293 K HN 0.441 nan 8.250 nan 0.000 0.464 294 T N 0.379 114.944 114.554 0.018 0.000 2.881 294 T HA -0.118 4.233 4.350 0.001 0.000 0.270 294 T C 0.176 174.661 174.700 -0.358 0.000 1.068 294 T CA 1.266 63.260 62.100 -0.177 0.000 1.131 294 T CB -0.174 68.564 68.868 -0.217 0.000 0.871 294 T HN 0.494 nan 8.240 nan 0.000 0.479 295 W N 0.770 122.084 121.300 0.023 0.000 2.570 295 W HA 0.538 5.199 4.660 0.001 0.000 0.410 295 W C 1.210 177.720 176.519 -0.016 0.000 0.889 295 W CA -0.729 56.624 57.345 0.013 0.000 2.386 295 W CB -0.250 29.243 29.460 0.054 0.000 1.228 295 W HN 0.245 nan 8.180 nan 0.000 0.692 296 G N 1.472 110.335 108.800 0.104 0.000 2.258 296 G HA2 -0.365 3.596 3.960 0.001 0.000 0.274 296 G HA3 -0.365 3.596 3.960 0.001 0.000 0.274 296 G C 0.269 175.210 174.900 0.069 0.000 1.021 296 G CA 0.456 45.587 45.100 0.051 0.000 0.798 296 G HN 0.411 nan 8.290 nan 0.000 0.507 297 D N -0.482 119.981 120.400 0.106 0.000 2.689 297 D HA -0.157 4.484 4.640 0.001 0.000 0.237 297 D C 0.591 176.931 176.300 0.067 0.000 1.148 297 D CA 2.021 56.073 54.000 0.087 0.000 0.656 297 D CB -0.990 39.844 40.800 0.056 0.000 1.050 297 D HN 1.141 nan 8.370 nan 0.000 0.426 298 E N -1.468 118.782 120.200 0.083 0.000 2.423 298 E HA 0.491 4.841 4.350 0.001 0.000 0.280 298 E C -1.030 175.584 176.600 0.022 0.000 1.030 298 E CA -1.140 55.283 56.400 0.038 0.000 0.812 298 E CB 1.254 30.961 29.700 0.012 0.000 1.313 298 E HN -0.026 nan 8.360 nan 0.000 0.456 299 L N 2.010 123.222 121.223 -0.018 0.000 2.283 299 L HA 0.307 4.648 4.340 0.001 0.000 0.287 299 L C -0.532 176.248 176.870 -0.150 0.000 1.073 299 L CA -0.305 54.502 54.840 -0.056 0.000 0.822 299 L CB 0.112 42.154 42.059 -0.027 0.000 1.186 299 L HN 0.404 nan 8.230 nan 0.000 0.436 300 K N 4.279 124.480 120.400 -0.332 0.000 2.149 300 K HA 0.177 4.497 4.320 0.001 0.000 0.245 300 K C -0.263 176.037 176.600 -0.499 0.000 1.024 300 K CA -0.263 55.733 56.287 -0.485 0.000 0.899 300 K CB 0.315 32.347 32.500 -0.779 0.000 1.038 300 K HN 0.474 nan 8.250 nan 0.000 0.496 301 K N 2.148 122.330 120.400 -0.362 0.000 2.262 301 K HA 0.126 4.446 4.320 0.001 0.000 0.288 301 K C -0.714 175.725 176.600 -0.268 0.000 1.090 301 K CA -0.110 56.037 56.287 -0.234 0.000 0.918 301 K CB 0.055 32.474 32.500 -0.135 0.000 1.139 301 K HN 0.288 nan 8.250 nan 0.000 0.462 302 Y N 1.303 121.557 120.300 -0.077 0.000 2.313 302 Y HA 0.143 4.693 4.550 0.001 0.000 0.332 302 Y C 0.449 176.322 175.900 -0.045 0.000 1.071 302 Y CA -0.713 57.341 58.100 -0.075 0.000 1.169 302 Y CB 1.048 39.435 38.460 -0.121 0.000 1.192 302 Y HN 0.174 nan 8.280 nan 0.000 0.487 303 V N 4.456 124.457 119.914 0.145 0.000 2.394 303 V HA 0.378 4.498 4.120 0.001 0.000 0.282 303 V C -0.461 175.684 176.094 0.084 0.000 1.031 303 V CA -0.834 61.518 62.300 0.086 0.000 0.881 303 V CB 1.419 33.277 31.823 0.059 0.000 0.982 303 V HN 0.730 nan 8.190 nan 0.000 0.451 304 Q N 4.318 124.146 119.800 0.046 0.000 2.292 304 Q HA 0.590 4.931 4.340 0.001 0.000 0.270 304 Q C -1.518 174.491 176.000 0.014 0.000 1.024 304 Q CA -0.545 55.271 55.803 0.021 0.000 0.768 304 Q CB 1.926 30.653 28.738 -0.019 0.000 1.250 304 Q HN 0.764 nan 8.270 nan 0.000 0.447 305 I N 3.615 124.197 120.570 0.019 0.000 2.312 305 I HA 0.421 4.591 4.170 0.001 0.000 0.290 305 I C -0.516 175.609 176.117 0.013 0.000 1.008 305 I CA -0.253 61.057 61.300 0.017 0.000 1.226 305 I CB 1.083 39.097 38.000 0.024 0.000 1.371 305 I HN 0.537 nan 8.210 nan 0.000 0.468 306 D N 5.112 125.517 120.400 0.009 0.000 2.736 306 D HA 0.232 4.873 4.640 0.001 0.000 0.223 306 D C 0.213 176.518 176.300 0.008 0.000 1.231 306 D CA -0.508 53.495 54.000 0.006 0.000 0.818 306 D CB 2.919 43.712 40.800 -0.011 0.000 1.587 306 D HN 0.460 nan 8.370 nan 0.000 0.463 307 I N 1.517 122.096 120.570 0.014 0.000 2.928 307 I HA -0.106 4.064 4.170 0.001 0.000 0.266 307 I C 0.504 176.625 176.117 0.007 0.000 1.234 307 I CA 0.813 62.123 61.300 0.017 0.000 1.483 307 I CB 0.277 38.295 38.000 0.031 0.000 1.097 307 I HN 0.194 nan 8.210 nan 0.000 0.455 308 Q N 0.470 120.268 119.800 -0.004 0.000 2.390 308 Q HA 0.344 4.685 4.340 0.001 0.000 0.249 308 Q C 0.817 176.810 176.000 -0.011 0.000 0.996 308 Q CA 0.341 56.138 55.803 -0.011 0.000 0.899 308 Q CB 1.448 30.173 28.738 -0.023 0.000 1.216 308 Q HN 0.352 nan 8.270 nan 0.000 0.465 309 A N 4.193 127.009 122.820 -0.007 0.000 1.892 309 A HA -0.220 4.101 4.320 0.001 0.000 0.218 309 A C 1.403 178.979 177.584 -0.013 0.000 1.188 309 A CA 2.004 54.036 52.037 -0.007 0.000 0.631 309 A CB -0.626 18.372 19.000 -0.003 0.000 0.822 309 A HN 0.893 nan 8.150 nan 0.000 0.447 310 N N -0.387 118.304 118.700 -0.014 0.000 2.449 310 N HA -0.038 4.702 4.740 0.001 0.000 0.191 310 N C 0.942 176.438 175.510 -0.024 0.000 1.161 310 N CA 1.125 54.165 53.050 -0.018 0.000 0.863 310 N CB -0.020 38.458 38.487 -0.015 0.000 0.980 310 N HN 0.452 nan 8.380 nan 0.000 0.458 311 E N 0.406 120.589 120.200 -0.028 0.000 2.208 311 E HA 0.020 4.370 4.350 0.001 0.000 0.193 311 E C 0.311 176.884 176.600 -0.045 0.000 0.988 311 E CA 0.446 56.823 56.400 -0.038 0.000 0.828 311 E CB -0.135 29.540 29.700 -0.042 0.000 0.763 311 E HN 0.243 nan 8.360 nan 0.000 0.478 312 M N 1.669 121.246 119.600 -0.039 0.000 2.251 312 M HA -0.020 4.461 4.480 0.001 0.000 0.343 312 M C -0.104 176.170 176.300 -0.043 0.000 1.245 312 M CA 0.740 56.014 55.300 -0.043 0.000 1.061 312 M CB -0.029 32.554 32.600 -0.027 0.000 1.723 312 M HN 0.054 nan 8.290 nan 0.000 0.449 313 D N 0.397 120.763 120.400 -0.056 0.000 2.911 313 D HA -0.161 4.480 4.640 0.001 0.000 0.227 313 D C 1.112 177.383 176.300 -0.049 0.000 1.164 313 D CA 1.218 55.187 54.000 -0.051 0.000 0.782 313 D CB -1.306 39.475 40.800 -0.032 0.000 1.094 313 D HN 0.820 nan 8.370 nan 0.000 0.425 314 S N -1.259 114.407 115.700 -0.056 0.000 2.402 314 S HA -0.098 4.373 4.470 0.001 0.000 0.229 314 S C 1.467 176.046 174.600 -0.034 0.000 1.021 314 S CA 1.020 59.196 58.200 -0.039 0.000 0.974 314 S CB 0.406 63.586 63.200 -0.033 0.000 0.800 314 S HN 0.412 nan 8.310 nan 0.000 0.484 315 N N -0.437 118.230 118.700 -0.055 0.000 2.663 315 N HA 0.180 4.921 4.740 0.001 0.000 0.250 315 N C -0.231 175.240 175.510 -0.065 0.000 1.043 315 N CA 0.147 53.172 53.050 -0.041 0.000 0.929 315 N CB 0.525 39.013 38.487 0.002 0.000 1.665 315 N HN 0.276 nan 8.380 nan 0.000 0.484 316 Q N 1.052 120.781 119.800 -0.118 0.000 2.413 316 Q HA 0.495 4.835 4.340 0.001 0.000 0.276 316 Q C -2.699 173.265 176.000 -0.059 0.000 1.099 316 Q CA -1.751 54.002 55.803 -0.083 0.000 0.814 316 Q CB 2.034 30.720 28.738 -0.088 0.000 1.379 316 Q HN 0.023 nan 8.270 nan 0.000 0.436 317 P HA 0.058 nan 4.420 nan 0.000 0.264 317 P C -0.577 176.748 177.300 0.042 0.000 1.193 317 P CA 0.172 63.276 63.100 0.006 0.000 0.763 317 P CB 0.359 32.065 31.700 0.010 0.000 0.810 318 I N 2.839 123.420 120.570 0.018 0.000 2.312 318 I HA 0.181 4.352 4.170 0.001 0.000 0.290 318 I C 1.394 177.534 176.117 0.038 0.000 1.008 318 I CA -0.540 60.785 61.300 0.043 0.000 1.226 318 I CB 0.531 38.529 38.000 -0.004 0.000 1.371 318 I HN 0.396 nan 8.210 nan 0.000 0.468 319 A N 5.625 128.476 122.820 0.051 0.000 1.929 319 A HA 0.221 4.542 4.320 0.001 0.000 0.216 319 A C 1.233 178.827 177.584 0.016 0.000 1.176 319 A CA 1.251 53.300 52.037 0.020 0.000 0.628 319 A CB 0.091 19.093 19.000 0.004 0.000 0.816 319 A HN 0.736 nan 8.150 nan 0.000 0.444 320 A N 0.544 123.379 122.820 0.026 0.000 2.978 320 A HA 0.590 4.911 4.320 0.001 0.000 0.341 320 A C -2.939 174.657 177.584 0.020 0.000 1.105 320 A CA -1.500 50.548 52.037 0.019 0.000 0.819 320 A CB 0.346 19.357 19.000 0.018 0.000 1.080 320 A HN 0.205 nan 8.150 nan 0.000 0.476 321 P HA 0.289 nan 4.420 nan 0.000 0.276 321 P C -0.472 176.832 177.300 0.007 0.000 1.243 321 P CA 0.116 63.219 63.100 0.006 0.000 0.768 321 P CB 1.570 33.269 31.700 -0.001 0.000 0.856 322 V N 5.088 125.007 119.914 0.008 0.000 2.380 322 V HA 0.170 4.290 4.120 0.001 0.000 0.286 322 V C 0.215 176.314 176.094 0.008 0.000 1.015 322 V CA -0.718 61.588 62.300 0.009 0.000 0.834 322 V CB 1.914 33.745 31.823 0.013 0.000 1.009 322 V HN 0.251 nan 8.190 nan 0.000 0.428 323 V N 4.433 124.351 119.914 0.007 0.000 2.370 323 V HA 0.981 5.101 4.120 0.001 0.000 0.279 323 V C 0.709 176.809 176.094 0.011 0.000 1.029 323 V CA 0.508 62.812 62.300 0.007 0.000 0.870 323 V CB 0.957 32.782 31.823 0.004 0.000 0.984 323 V HN 1.105 nan 8.190 nan 0.000 0.451 324 G N 3.868 112.677 108.800 0.015 0.000 2.320 324 G HA2 0.213 4.173 3.960 0.001 0.000 0.297 324 G HA3 0.213 4.173 3.960 0.001 0.000 0.297 324 G C -1.344 173.572 174.900 0.025 0.000 1.344 324 G CA -0.552 44.560 45.100 0.019 0.000 0.851 324 G HN 0.743 nan 8.290 nan 0.000 0.567 325 D N -0.517 119.901 120.400 0.030 0.000 2.399 325 D HA 0.151 4.792 4.640 0.001 0.000 0.241 325 D C 1.256 177.575 176.300 0.033 0.000 1.133 325 D CA -0.428 53.595 54.000 0.039 0.000 0.890 325 D CB 1.736 42.561 40.800 0.042 0.000 1.201 325 D HN 0.275 nan 8.370 nan 0.000 0.432 326 I N 1.369 121.963 120.570 0.041 0.000 2.286 326 I HA -0.255 3.915 4.170 0.001 0.000 0.248 326 I C 2.705 178.833 176.117 0.018 0.000 1.115 326 I CA 1.076 62.395 61.300 0.032 0.000 1.392 326 I CB -0.262 37.764 38.000 0.044 0.000 1.065 326 I HN 0.513 nan 8.210 nan 0.000 0.418 327 K N 0.551 120.959 120.400 0.013 0.000 2.026 327 K HA -0.176 4.144 4.320 0.001 0.000 0.208 327 K C 2.303 178.904 176.600 0.003 0.000 1.048 327 K CA 1.873 58.160 56.287 0.001 0.000 0.929 327 K CB -0.028 32.468 32.500 -0.007 0.000 0.713 327 K HN 0.187 nan 8.250 nan 0.000 0.439 328 S N 0.641 116.346 115.700 0.008 0.000 2.353 328 S HA -0.181 4.289 4.470 0.001 0.000 0.222 328 S C 2.046 176.651 174.600 0.008 0.000 1.035 328 S CA 1.366 59.571 58.200 0.008 0.000 1.025 328 S CB -0.353 62.853 63.200 0.011 0.000 0.902 328 S HN 0.531 nan 8.310 nan 0.000 0.440 329 A N 1.136 123.962 122.820 0.011 0.000 1.858 329 A HA -0.069 4.251 4.320 0.001 0.000 0.216 329 A C 2.377 179.966 177.584 0.008 0.000 1.190 329 A CA 1.722 53.766 52.037 0.011 0.000 0.617 329 A CB -1.055 17.954 19.000 0.015 0.000 0.827 329 A HN 0.337 nan 8.150 nan 0.000 0.443 330 V N -0.220 119.698 119.914 0.006 0.000 2.343 330 V HA -0.228 3.892 4.120 0.001 0.000 0.247 330 V C 2.836 178.929 176.094 -0.001 0.000 1.051 330 V CA 2.337 64.638 62.300 0.001 0.000 1.036 330 V CB -0.813 31.007 31.823 -0.005 0.000 0.654 330 V HN 0.694 nan 8.190 nan 0.000 0.451 331 S N -0.458 115.241 115.700 -0.002 0.000 2.370 331 S HA -0.174 4.296 4.470 0.001 0.000 0.226 331 S C 1.923 176.523 174.600 0.001 0.000 1.033 331 S CA 1.803 60.001 58.200 -0.002 0.000 1.011 331 S CB -0.286 62.912 63.200 -0.002 0.000 0.852 331 S HN 0.521 nan 8.310 nan 0.000 0.457 332 L N 0.398 121.623 121.223 0.003 0.000 2.072 332 L HA -0.002 4.338 4.340 0.001 0.000 0.205 332 L C 2.479 179.352 176.870 0.005 0.000 1.079 332 L CA 0.721 55.564 54.840 0.004 0.000 0.752 332 L CB -0.503 41.559 42.059 0.005 0.000 0.906 332 L HN 0.340 nan 8.230 nan 0.000 0.436 333 L N 0.092 121.319 121.223 0.006 0.000 2.046 333 L HA -0.196 4.145 4.340 0.001 0.000 0.208 333 L C 2.716 179.591 176.870 0.007 0.000 1.077 333 L CA 1.700 56.545 54.840 0.008 0.000 0.747 333 L CB -0.539 41.526 42.059 0.010 0.000 0.896 333 L HN 0.090 nan 8.230 nan 0.000 0.432 334 R N -0.505 119.998 120.500 0.004 0.000 2.083 334 R HA -0.186 4.154 4.340 0.001 0.000 0.237 334 R C 2.250 178.553 176.300 0.005 0.000 1.137 334 R CA 1.943 58.045 56.100 0.003 0.000 0.951 334 R CB -0.276 30.023 30.300 -0.001 0.000 0.851 334 R HN 0.386 nan 8.270 nan 0.000 0.434 335 K N -0.070 120.332 120.400 0.004 0.000 2.148 335 K HA -0.037 4.283 4.320 0.001 0.000 0.204 335 K C 1.996 178.600 176.600 0.005 0.000 1.050 335 K CA 1.172 57.461 56.287 0.004 0.000 0.942 335 K CB -0.023 32.479 32.500 0.003 0.000 0.724 335 K HN 0.143 nan 8.250 nan 0.000 0.446 336 A N 0.804 123.627 122.820 0.006 0.000 2.067 336 A HA -0.036 4.285 4.320 0.001 0.000 0.219 336 A C 1.751 179.340 177.584 0.008 0.000 1.158 336 A CA 1.020 53.061 52.037 0.006 0.000 0.661 336 A CB -0.226 18.778 19.000 0.007 0.000 0.801 336 A HN 0.175 nan 8.150 nan 0.000 0.452 337 L N -1.173 120.055 121.223 0.009 0.000 2.640 337 L HA 0.160 4.500 4.340 0.001 0.000 0.230 337 L C 0.448 177.325 176.870 0.012 0.000 1.123 337 L CA -0.392 54.455 54.840 0.011 0.000 0.900 337 L CB 0.027 42.094 42.059 0.014 0.000 1.146 337 L HN 0.063 nan 8.230 nan 0.000 0.484 338 K N 1.165 121.571 120.400 0.010 0.000 2.491 338 K HA 0.134 4.455 4.320 0.001 0.000 0.279 338 K C 1.240 177.846 176.600 0.010 0.000 1.026 338 K CA 1.145 57.438 56.287 0.009 0.000 1.070 338 K CB 0.107 32.612 32.500 0.007 0.000 0.887 338 K HN 0.244 nan 8.250 nan 0.000 0.481 339 G N 2.018 110.825 108.800 0.012 0.000 2.168 339 G HA2 -0.300 3.661 3.960 0.001 0.000 0.263 339 G HA3 -0.300 3.661 3.960 0.001 0.000 0.263 339 G C 0.236 175.144 174.900 0.014 0.000 0.977 339 G CA 0.323 45.431 45.100 0.012 0.000 0.659 339 G HN 0.914 nan 8.290 nan 0.000 0.533 340 A N 0.389 123.219 122.820 0.016 0.000 2.371 340 A HA 0.690 5.011 4.320 0.001 0.000 0.257 340 A C -0.930 176.668 177.584 0.022 0.000 1.089 340 A CA -0.632 51.416 52.037 0.017 0.000 0.794 340 A CB 0.147 19.157 19.000 0.017 0.000 1.029 340 A HN 0.245 nan 8.150 nan 0.000 0.488 341 P HA 0.119 nan 4.420 nan 0.000 0.268 341 P C -0.247 177.075 177.300 0.038 0.000 1.208 341 P CA 0.058 63.175 63.100 0.028 0.000 0.777 341 P CB 0.391 32.107 31.700 0.026 0.000 0.875 342 K N 0.967 121.395 120.400 0.045 0.000 2.138 342 K HA 0.468 4.788 4.320 0.001 0.000 0.251 342 K C 0.355 177.000 176.600 0.075 0.000 1.015 342 K CA -0.631 55.692 56.287 0.061 0.000 0.917 342 K CB 0.407 32.944 32.500 0.063 0.000 1.021 342 K HN 0.541 nan 8.250 nan 0.000 0.485 343 A N 1.565 124.446 122.820 0.102 0.000 2.555 343 A HA -0.086 4.235 4.320 0.001 0.000 0.233 343 A C 0.123 177.794 177.584 0.144 0.000 1.060 343 A CA -0.072 52.047 52.037 0.137 0.000 0.759 343 A CB -0.035 19.091 19.000 0.211 0.000 0.995 343 A HN 0.747 nan 8.150 nan 0.000 0.506 344 D N 1.461 121.951 120.400 0.151 0.000 2.581 344 D HA 0.145 4.785 4.640 0.001 0.000 0.238 344 D C 1.323 177.733 176.300 0.184 0.000 1.145 344 D CA 1.010 55.100 54.000 0.150 0.000 0.866 344 D CB 0.676 41.564 40.800 0.146 0.000 1.151 344 D HN 0.569 nan 8.370 nan 0.000 0.500 345 A N 4.273 127.166 122.820 0.122 0.000 2.019 345 A HA -0.202 4.118 4.320 0.001 0.000 0.219 345 A C 1.865 179.509 177.584 0.099 0.000 1.164 345 A CA 1.726 53.821 52.037 0.096 0.000 0.644 345 A CB -0.433 18.605 19.000 0.063 0.000 0.805 345 A HN 0.799 nan 8.150 nan 0.000 0.449 346 E N -1.562 118.714 120.200 0.127 0.000 2.285 346 E HA -0.162 4.189 4.350 0.001 0.000 0.194 346 E C 1.879 178.606 176.600 0.211 0.000 0.997 346 E CA 0.503 56.982 56.400 0.131 0.000 0.845 346 E CB -0.408 29.363 29.700 0.118 0.000 0.782 346 E HN 0.849 nan 8.360 nan 0.000 0.491 347 W N 2.768 124.097 121.300 0.048 0.000 2.452 347 W HA -0.174 4.486 4.660 0.001 0.000 0.313 347 W C 2.097 178.655 176.519 0.065 0.000 1.176 347 W CA 2.233 59.616 57.345 0.063 0.000 1.350 347 W CB -0.296 29.195 29.460 0.052 0.000 1.148 347 W HN 0.224 nan 8.180 nan 0.000 0.498 348 T N -1.453 113.093 114.554 -0.013 0.000 2.788 348 T HA -0.113 4.237 4.350 0.001 0.000 0.268 348 T C 1.952 176.569 174.700 -0.139 0.000 1.044 348 T CA 1.685 63.701 62.100 -0.140 0.000 1.139 348 T CB -1.262 67.615 68.868 0.015 0.000 0.867 348 T HN 0.169 nan 8.240 nan 0.000 0.454 349 G N 1.256 110.020 108.800 -0.061 0.000 2.402 349 G HA2 0.097 4.058 3.960 0.001 0.000 0.216 349 G HA3 0.097 4.058 3.960 0.001 0.000 0.216 349 G C 1.932 176.769 174.900 -0.105 0.000 1.162 349 G CA 0.798 45.862 45.100 -0.061 0.000 0.777 349 G HN 0.740 nan 8.290 nan 0.000 0.539 350 A N 0.678 123.430 122.820 -0.113 0.000 1.877 350 A HA 0.064 4.384 4.320 0.001 0.000 0.216 350 A C 2.446 179.876 177.584 -0.257 0.000 1.186 350 A CA 1.350 53.301 52.037 -0.144 0.000 0.620 350 A CB -0.428 18.553 19.000 -0.033 0.000 0.822 350 A HN 0.352 nan 8.150 nan 0.000 0.443 351 L N -0.960 120.048 121.223 -0.359 0.000 2.027 351 L HA -0.177 4.164 4.340 0.001 0.000 0.206 351 L C 2.614 179.340 176.870 -0.240 0.000 1.074 351 L CA 1.792 56.420 54.840 -0.353 0.000 0.745 351 L CB -0.497 41.269 42.059 -0.489 0.000 0.898 351 L HN 0.358 nan 8.230 nan 0.000 0.433 352 K N 0.986 121.268 120.400 -0.197 0.000 2.063 352 K HA -0.159 4.161 4.320 0.001 0.000 0.208 352 K C 2.027 178.552 176.600 -0.126 0.000 1.048 352 K CA 1.760 57.966 56.287 -0.135 0.000 0.928 352 K CB -0.454 31.988 32.500 -0.097 0.000 0.713 352 K HN 0.219 nan 8.250 nan 0.000 0.442 353 A N 0.837 123.578 122.820 -0.133 0.000 1.908 353 A HA -0.199 4.122 4.320 0.001 0.000 0.218 353 A C 1.995 179.494 177.584 -0.142 0.000 1.181 353 A CA 2.041 54.004 52.037 -0.123 0.000 0.627 353 A CB -0.484 18.443 19.000 -0.121 0.000 0.818 353 A HN 0.419 nan 8.150 nan 0.000 0.445 354 K N -0.545 119.741 120.400 -0.189 0.000 2.097 354 K HA -0.008 4.312 4.320 0.001 0.000 0.205 354 K C 1.855 178.366 176.600 -0.149 0.000 1.050 354 K CA 1.133 57.300 56.287 -0.201 0.000 0.938 354 K CB -0.297 32.025 32.500 -0.296 0.000 0.718 354 K HN 0.300 nan 8.250 nan 0.000 0.442 355 V N 2.238 122.067 119.914 -0.141 0.000 2.255 355 V HA -0.280 3.841 4.120 0.001 0.000 0.247 355 V C 1.606 177.646 176.094 -0.089 0.000 1.051 355 V CA 2.029 64.261 62.300 -0.112 0.000 1.018 355 V CB -0.428 31.326 31.823 -0.115 0.000 0.641 355 V HN 0.291 nan 8.190 nan 0.000 0.445 356 D N 0.538 120.886 120.400 -0.086 0.000 2.123 356 D HA -0.129 4.512 4.640 0.001 0.000 0.196 356 D C 2.169 178.430 176.300 -0.065 0.000 0.992 356 D CA 1.683 55.642 54.000 -0.068 0.000 0.833 356 D CB -0.709 40.052 40.800 -0.065 0.000 0.954 356 D HN 0.474 nan 8.370 nan 0.000 0.455 357 G N 0.843 109.596 108.800 -0.077 0.000 2.421 357 G HA2 -0.256 3.704 3.960 0.001 0.000 0.216 357 G HA3 -0.256 3.704 3.960 0.001 0.000 0.216 357 G C 1.616 176.478 174.900 -0.063 0.000 1.171 357 G CA 0.512 45.569 45.100 -0.072 0.000 0.775 357 G HN 0.177 nan 8.290 nan 0.000 0.543 358 N N 0.726 119.383 118.700 -0.071 0.000 2.188 358 N HA -0.035 4.706 4.740 0.001 0.000 0.184 358 N C 2.124 177.606 175.510 -0.047 0.000 1.018 358 N CA 0.797 53.812 53.050 -0.060 0.000 0.858 358 N CB -0.232 38.214 38.487 -0.068 0.000 0.989 358 N HN 0.358 nan 8.380 nan 0.000 0.426 359 K N 1.003 121.374 120.400 -0.048 0.000 2.026 359 K HA 0.015 4.336 4.320 0.001 0.000 0.208 359 K C 2.089 178.671 176.600 -0.029 0.000 1.048 359 K CA 1.157 57.422 56.287 -0.036 0.000 0.929 359 K CB -0.145 32.332 32.500 -0.038 0.000 0.713 359 K HN 0.104 nan 8.250 nan 0.000 0.439 360 A N 1.850 124.650 122.820 -0.032 0.000 1.908 360 A HA -0.222 4.098 4.320 0.001 0.000 0.218 360 A C 2.049 179.619 177.584 -0.023 0.000 1.181 360 A CA 1.624 53.645 52.037 -0.027 0.000 0.627 360 A CB -0.361 18.621 19.000 -0.030 0.000 0.818 360 A HN 0.201 nan 8.150 nan 0.000 0.445 361 K N -1.042 119.341 120.400 -0.027 0.000 2.097 361 K HA -0.095 4.225 4.320 0.001 0.000 0.205 361 K C 1.863 178.454 176.600 -0.015 0.000 1.050 361 K CA 1.291 57.565 56.287 -0.022 0.000 0.938 361 K CB -0.216 32.267 32.500 -0.028 0.000 0.718 361 K HN 0.375 nan 8.250 nan 0.000 0.442 362 L N 0.792 122.005 121.223 -0.016 0.000 2.109 362 L HA -0.026 4.315 4.340 0.001 0.000 0.207 362 L C 2.078 178.947 176.870 -0.003 0.000 1.086 362 L CA 1.722 56.557 54.840 -0.008 0.000 0.760 362 L CB -0.597 41.456 42.059 -0.010 0.000 0.910 362 L HN 0.128 nan 8.230 nan 0.000 0.437 363 A N -0.454 122.362 122.820 -0.006 0.000 1.908 363 A HA -0.105 4.215 4.320 0.001 0.000 0.218 363 A C 2.361 179.944 177.584 -0.002 0.000 1.181 363 A CA 1.570 53.605 52.037 -0.003 0.000 0.627 363 A CB -1.571 17.425 19.000 -0.007 0.000 0.818 363 A HN 0.510 nan 8.150 nan 0.000 0.445 364 G N -0.325 108.473 108.800 -0.004 0.000 2.446 364 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 364 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 364 G C 1.689 176.590 174.900 0.002 0.000 1.168 364 G CA 1.223 46.321 45.100 -0.003 0.000 0.771 364 G HN 0.588 nan 8.290 nan 0.000 0.551 365 K N -0.442 119.961 120.400 0.004 0.000 2.155 365 K HA 0.145 4.465 4.320 0.001 0.000 0.203 365 K C 2.628 179.237 176.600 0.014 0.000 1.052 365 K CA 0.848 57.141 56.287 0.011 0.000 0.948 365 K CB -0.156 32.353 32.500 0.015 0.000 0.728 365 K HN 0.303 nan 8.250 nan 0.000 0.448 366 M N 0.371 119.979 119.600 0.013 0.000 2.319 366 M HA -0.097 4.383 4.480 0.001 0.000 0.265 366 M C 2.122 178.428 176.300 0.010 0.000 1.068 366 M CA 1.513 56.822 55.300 0.015 0.000 1.118 366 M CB -0.376 32.234 32.600 0.016 0.000 1.395 366 M HN 0.217 nan 8.290 nan 0.000 0.435 367 T N -1.523 113.035 114.554 0.007 0.000 3.088 367 T HA 0.313 4.664 4.350 0.001 0.000 0.259 367 T C 0.854 175.555 174.700 0.003 0.000 1.122 367 T CA 0.172 62.275 62.100 0.004 0.000 1.095 367 T CB -0.361 68.509 68.868 0.002 0.000 0.930 367 T HN 0.265 nan 8.240 nan 0.000 0.508 368 A N 1.159 123.982 122.820 0.005 0.000 2.507 368 A HA 0.320 4.640 4.320 0.001 0.000 0.235 368 A C 0.232 177.817 177.584 0.001 0.000 1.070 368 A CA -0.266 51.773 52.037 0.004 0.000 0.768 368 A CB -0.027 18.977 19.000 0.007 0.000 1.011 368 A HN 0.627 nan 8.150 nan 0.000 0.502 369 E N 0.190 120.390 120.200 0.000 0.000 2.166 369 E HA 0.507 4.857 4.350 0.001 0.000 0.275 369 E C -0.369 176.229 176.600 -0.003 0.000 0.941 369 E CA -0.363 56.035 56.400 -0.002 0.000 0.784 369 E CB 1.039 30.738 29.700 -0.001 0.000 1.115 369 E HN 0.798 nan 8.360 nan 0.000 0.399 370 T N 1.297 115.848 114.554 -0.006 0.000 2.916 370 T HA 0.601 4.952 4.350 0.001 0.000 0.292 370 T C -2.529 172.166 174.700 -0.009 0.000 1.055 370 T CA -1.952 60.143 62.100 -0.008 0.000 1.009 370 T CB 1.369 70.229 68.868 -0.013 0.000 1.118 370 T HN 0.204 nan 8.240 nan 0.000 0.497 371 P HA 0.298 nan 4.420 nan 0.000 0.272 371 P C -0.099 177.195 177.300 -0.011 0.000 1.240 371 P CA -0.475 62.621 63.100 -0.008 0.000 0.791 371 P CB 0.275 31.972 31.700 -0.005 0.000 0.978 372 S N 0.575 116.270 115.700 -0.009 0.000 2.544 372 S HA 0.307 4.777 4.470 0.001 0.000 0.290 372 S C 1.436 176.028 174.600 -0.013 0.000 1.276 372 S CA 0.990 59.184 58.200 -0.011 0.000 1.075 372 S CB -1.332 61.863 63.200 -0.007 0.000 0.849 372 S HN 0.883 nan 8.310 nan 0.000 0.494 373 G N 4.380 113.170 108.800 -0.017 0.000 2.162 373 G HA2 -0.178 3.782 3.960 0.001 0.000 0.260 373 G HA3 -0.178 3.782 3.960 0.001 0.000 0.260 373 G C 0.228 175.113 174.900 -0.026 0.000 0.976 373 G CA 0.513 45.602 45.100 -0.020 0.000 0.655 373 G HN 0.641 nan 8.290 nan 0.000 0.533 374 M N 0.353 119.936 119.600 -0.028 0.000 3.189 374 M HA 0.444 4.925 4.480 0.001 0.000 0.365 374 M C 0.752 177.026 176.300 -0.044 0.000 1.447 374 M CA -0.379 54.901 55.300 -0.032 0.000 0.739 374 M CB -0.031 32.559 32.600 -0.017 0.000 1.411 374 M HN 0.238 nan 8.290 nan 0.000 0.494 375 M N 1.900 121.461 119.600 -0.065 0.000 2.245 375 M HA 0.053 4.534 4.480 0.001 0.000 0.330 375 M C 0.759 176.991 176.300 -0.113 0.000 1.098 375 M CA 0.436 55.689 55.300 -0.078 0.000 1.172 375 M CB 0.428 32.973 32.600 -0.092 0.000 1.467 375 M HN 0.401 nan 8.290 nan 0.000 0.454 376 N N 0.216 118.864 118.700 -0.086 0.000 2.604 376 N HA 0.184 4.924 4.740 0.001 0.000 0.297 376 N C -0.180 175.258 175.510 -0.120 0.000 1.266 376 N CA -0.377 52.623 53.050 -0.082 0.000 0.961 376 N CB 0.203 38.704 38.487 0.023 0.000 1.166 376 N HN 0.492 nan 8.380 nan 0.000 0.601 377 Y N -1.191 119.114 120.300 0.009 0.000 2.457 377 Y HA 0.064 4.614 4.550 0.001 0.000 0.292 377 Y C 2.208 178.111 175.900 0.005 0.000 1.125 377 Y CA 0.846 58.951 58.100 0.008 0.000 1.254 377 Y CB 0.076 38.544 38.460 0.013 0.000 1.012 377 Y HN 0.473 nan 8.280 nan 0.000 0.555 378 S N -0.044 115.733 115.700 0.130 0.000 2.362 378 S HA -0.156 4.314 4.470 0.001 0.000 0.221 378 S C 1.776 176.401 174.600 0.041 0.000 1.032 378 S CA 1.366 59.612 58.200 0.076 0.000 0.973 378 S CB -0.508 62.726 63.200 0.057 0.000 0.849 378 S HN 0.758 nan 8.310 nan 0.000 0.465 379 N N 1.292 120.005 118.700 0.022 0.000 2.300 379 N HA -0.083 4.658 4.740 0.001 0.000 0.179 379 N C 1.781 177.287 175.510 -0.006 0.000 1.016 379 N CA 1.135 54.189 53.050 0.006 0.000 0.876 379 N CB -0.250 38.236 38.487 -0.001 0.000 0.979 379 N HN 0.413 nan 8.380 nan 0.000 0.432 380 S N 1.979 117.667 115.700 -0.021 0.000 2.338 380 S HA -0.063 4.407 4.470 0.001 0.000 0.218 380 S C 2.013 176.608 174.600 -0.010 0.000 1.032 380 S CA 0.646 58.824 58.200 -0.037 0.000 0.999 380 S CB -0.927 62.223 63.200 -0.084 0.000 0.905 380 S HN 0.272 nan 8.310 nan 0.000 0.439 381 L N 1.744 122.980 121.223 0.021 0.000 2.275 381 L HA 0.088 4.429 4.340 0.001 0.000 0.215 381 L C 2.915 179.809 176.870 0.039 0.000 1.119 381 L CA 0.773 55.638 54.840 0.042 0.000 0.790 381 L CB -1.148 40.959 42.059 0.080 0.000 0.919 381 L HN 0.554 nan 8.230 nan 0.000 0.443 382 G N -0.105 108.715 108.800 0.033 0.000 2.450 382 G HA2 -0.204 3.757 3.960 0.001 0.000 0.220 382 G HA3 -0.204 3.757 3.960 0.001 0.000 0.220 382 G C 1.563 176.484 174.900 0.034 0.000 1.130 382 G CA 0.959 46.078 45.100 0.031 0.000 0.760 382 G HN 0.218 nan 8.290 nan 0.000 0.557 383 V N 0.455 120.384 119.914 0.025 0.000 2.307 383 V HA -0.152 3.968 4.120 0.001 0.000 0.245 383 V C 3.008 179.139 176.094 0.062 0.000 1.045 383 V CA 1.463 63.781 62.300 0.030 0.000 1.024 383 V CB -0.367 31.453 31.823 -0.005 0.000 0.651 383 V HN 0.259 nan 8.190 nan 0.000 0.449 384 V N 0.419 120.359 119.914 0.044 0.000 2.407 384 V HA -0.286 3.835 4.120 0.001 0.000 0.248 384 V C 2.557 178.725 176.094 0.123 0.000 1.055 384 V CA 2.402 64.747 62.300 0.075 0.000 1.049 384 V CB -0.911 30.935 31.823 0.039 0.000 0.662 384 V HN 0.540 nan 8.190 nan 0.000 0.455 385 R N 0.420 120.970 120.500 0.084 0.000 2.097 385 R HA -0.230 4.110 4.340 0.001 0.000 0.236 385 R C 2.073 178.420 176.300 0.079 0.000 1.135 385 R CA 2.439 58.583 56.100 0.073 0.000 0.934 385 R CB -0.532 29.798 30.300 0.050 0.000 0.846 385 R HN 0.485 nan 8.270 nan 0.000 0.431 386 D N -0.198 120.251 120.400 0.080 0.000 2.123 386 D HA -0.190 4.451 4.640 0.001 0.000 0.196 386 D C 1.653 178.005 176.300 0.086 0.000 0.992 386 D CA 1.182 55.223 54.000 0.069 0.000 0.833 386 D CB -0.378 40.461 40.800 0.064 0.000 0.954 386 D HN 0.239 nan 8.370 nan 0.000 0.455 387 F N 0.952 120.900 119.950 -0.003 0.000 2.102 387 F HA -0.172 4.355 4.527 0.001 0.000 0.298 387 F C 2.257 178.058 175.800 0.002 0.000 1.105 387 F CA 1.128 59.125 58.000 -0.004 0.000 1.239 387 F CB -0.043 38.950 39.000 -0.012 0.000 0.991 387 F HN -0.185 nan 8.300 nan 0.000 0.474 388 M N -0.127 119.565 119.600 0.153 0.000 2.296 388 M HA -0.144 4.337 4.480 0.001 0.000 0.265 388 M C 2.264 178.548 176.300 -0.027 0.000 1.064 388 M CA 1.256 56.592 55.300 0.060 0.000 1.109 388 M CB -1.268 31.402 32.600 0.116 0.000 1.396 388 M HN 0.275 nan 8.290 nan 0.000 0.430 389 L N -0.476 120.735 121.223 -0.021 0.000 2.046 389 L HA -0.157 4.183 4.340 0.001 0.000 0.208 389 L C 2.605 179.427 176.870 -0.080 0.000 1.077 389 L CA 1.231 56.051 54.840 -0.032 0.000 0.747 389 L CB -0.766 41.285 42.059 -0.013 0.000 0.896 389 L HN 0.255 nan 8.230 nan 0.000 0.432 390 A N -0.386 122.348 122.820 -0.142 0.000 1.970 390 A HA -0.053 4.268 4.320 0.001 0.000 0.216 390 A C 0.671 178.102 177.584 -0.255 0.000 1.170 390 A CA 0.942 52.867 52.037 -0.188 0.000 0.645 390 A CB -0.276 18.596 19.000 -0.214 0.000 0.816 390 A HN 0.459 nan 8.150 nan 0.000 0.447 391 N N -0.322 118.160 118.700 -0.362 0.000 2.813 391 N HA 0.247 4.987 4.740 0.001 0.000 0.282 391 N C -2.395 173.023 175.510 -0.153 0.000 1.748 391 N CA -1.193 51.659 53.050 -0.329 0.000 0.860 391 N CB 1.367 39.471 38.487 -0.639 0.000 1.204 391 N HN 0.200 nan 8.380 nan 0.000 0.490 392 P HA -0.065 nan 4.420 nan 0.000 0.225 392 P C 0.066 177.365 177.300 -0.002 0.000 1.156 392 P CA 0.935 64.020 63.100 -0.026 0.000 0.787 392 P CB 0.416 32.104 31.700 -0.019 0.000 0.802 393 D N 0.352 120.746 120.400 -0.010 0.000 3.085 393 D HA 0.228 4.869 4.640 0.001 0.000 0.243 393 D C -0.143 176.172 176.300 0.025 0.000 1.232 393 D CA -0.035 53.968 54.000 0.005 0.000 0.913 393 D CB -1.118 39.680 40.800 -0.003 0.000 1.108 393 D HN 0.159 nan 8.370 nan 0.000 0.468 394 I N -0.140 120.455 120.570 0.042 0.000 2.686 394 I HA 0.190 4.361 4.170 0.001 0.000 0.295 394 I C 0.079 176.239 176.117 0.071 0.000 1.114 394 I CA -0.883 60.459 61.300 0.070 0.000 1.038 394 I CB 2.254 40.325 38.000 0.117 0.000 1.238 394 I HN -0.239 nan 8.210 nan 0.000 0.420 395 S N 4.895 120.636 115.700 0.070 0.000 2.565 395 S HA 0.476 4.946 4.470 0.001 0.000 0.274 395 S C -0.524 174.127 174.600 0.085 0.000 1.309 395 S CA -0.371 57.870 58.200 0.069 0.000 1.043 395 S CB 1.042 64.277 63.200 0.057 0.000 0.939 395 S HN 0.365 nan 8.310 nan 0.000 0.504 396 L N 4.864 126.141 121.223 0.090 0.000 2.345 396 L HA 0.510 4.850 4.340 0.001 0.000 0.274 396 L C -0.949 175.984 176.870 0.105 0.000 0.999 396 L CA -0.342 54.554 54.840 0.093 0.000 0.849 396 L CB 0.963 43.075 42.059 0.090 0.000 1.220 396 L HN 0.415 nan 8.230 nan 0.000 0.422 397 V N 5.223 125.203 119.914 0.110 0.000 2.607 397 V HA 0.447 4.568 4.120 0.001 0.000 0.289 397 V C -0.045 176.103 176.094 0.091 0.000 1.053 397 V CA -0.500 61.882 62.300 0.137 0.000 0.996 397 V CB 1.517 33.433 31.823 0.155 0.000 0.995 397 V HN 0.873 nan 8.190 nan 0.000 0.476 398 N N 3.014 121.760 118.700 0.077 0.000 2.371 398 N HA 0.521 5.261 4.740 0.001 0.000 0.280 398 N C -1.605 173.911 175.510 0.010 0.000 1.084 398 N CA -0.482 52.596 53.050 0.047 0.000 0.892 398 N CB 2.445 40.967 38.487 0.058 0.000 1.653 398 N HN 0.961 nan 8.380 nan 0.000 0.480 399 E N 1.853 122.054 120.200 0.001 0.000 2.396 399 E HA 0.674 5.024 4.350 0.001 0.000 0.280 399 E C -0.475 176.128 176.600 0.005 0.000 1.065 399 E CA -0.999 55.385 56.400 -0.027 0.000 0.831 399 E CB 1.746 31.383 29.700 -0.106 0.000 1.272 399 E HN 0.750 nan 8.360 nan 0.000 0.443 400 G N -0.281 108.520 108.800 0.002 0.000 2.315 400 G HA2 0.371 4.331 3.960 0.001 0.000 0.296 400 G HA3 0.371 4.331 3.960 0.001 0.000 0.296 400 G C -0.120 174.814 174.900 0.056 0.000 1.289 400 G CA 0.040 45.164 45.100 0.040 0.000 0.996 400 G HN 0.977 nan 8.290 nan 0.000 0.487 401 A N -0.820 122.058 122.820 0.097 0.000 2.265 401 A HA 0.420 4.740 4.320 0.001 0.000 0.226 401 A C 1.944 179.523 177.584 -0.008 0.000 1.937 401 A CA 1.350 53.451 52.037 0.107 0.000 0.771 401 A CB -0.535 18.649 19.000 0.306 0.000 1.421 401 A HN 0.644 nan 8.150 nan 0.000 0.570 402 N N 0.762 119.412 118.700 -0.084 0.000 2.120 402 N HA -0.143 4.598 4.740 0.001 0.000 0.188 402 N C 1.891 177.179 175.510 -0.369 0.000 1.024 402 N CA 1.449 54.261 53.050 -0.398 0.000 0.852 402 N CB -0.350 37.649 38.487 -0.813 0.000 1.003 402 N HN 0.481 nan 8.380 nan 0.000 0.424 403 A N 1.203 123.980 122.820 -0.071 0.000 1.972 403 A HA -0.112 4.208 4.320 0.001 0.000 0.219 403 A C 2.205 179.824 177.584 0.057 0.000 1.169 403 A CA 0.943 53.056 52.037 0.128 0.000 0.635 403 A CB -0.424 18.687 19.000 0.184 0.000 0.810 403 A HN 0.233 nan 8.150 nan 0.000 0.446 404 L N -0.417 120.817 121.223 0.019 0.000 2.071 404 L HA -0.004 4.337 4.340 0.001 0.000 0.201 404 L C 1.666 178.537 176.870 0.002 0.000 1.076 404 L CA 2.288 57.140 54.840 0.019 0.000 0.755 404 L CB -0.552 41.521 42.059 0.024 0.000 0.915 404 L HN 0.260 nan 8.230 nan 0.000 0.445 405 D N -0.158 120.225 120.400 -0.027 0.000 2.117 405 D HA -0.167 4.473 4.640 0.001 0.000 0.197 405 D C 1.850 178.126 176.300 -0.040 0.000 0.987 405 D CA 1.201 55.179 54.000 -0.037 0.000 0.829 405 D CB -0.286 40.479 40.800 -0.059 0.000 0.961 405 D HN 0.426 nan 8.370 nan 0.000 0.460 406 N N 0.079 118.742 118.700 -0.062 0.000 2.270 406 N HA -0.067 4.673 4.740 0.001 0.000 0.181 406 N C 1.705 177.232 175.510 0.028 0.000 1.016 406 N CA 0.873 53.911 53.050 -0.020 0.000 0.870 406 N CB -0.172 38.304 38.487 -0.017 0.000 0.979 406 N HN 0.159 nan 8.380 nan 0.000 0.431 407 T N 0.955 115.533 114.554 0.040 0.000 2.857 407 T HA -0.072 4.279 4.350 0.001 0.000 0.266 407 T C 1.946 176.668 174.700 0.038 0.000 1.048 407 T CA 0.668 62.798 62.100 0.051 0.000 1.139 407 T CB 0.125 69.029 68.868 0.059 0.000 0.874 407 T HN 0.277 nan 8.240 nan 0.000 0.455 408 R N 0.558 121.073 120.500 0.025 0.000 2.096 408 R HA 0.034 4.375 4.340 0.001 0.000 0.235 408 R C 2.464 178.771 176.300 0.011 0.000 1.127 408 R CA 1.212 57.324 56.100 0.020 0.000 0.968 408 R CB -0.274 30.031 30.300 0.009 0.000 0.861 408 R HN 0.380 nan 8.270 nan 0.000 0.440 409 M N -0.033 119.569 119.600 0.003 0.000 2.123 409 M HA -0.088 4.392 4.480 0.001 0.000 0.263 409 M C 1.753 178.057 176.300 0.007 0.000 1.069 409 M CA 1.684 56.982 55.300 -0.004 0.000 1.133 409 M CB 0.110 32.703 32.600 -0.011 0.000 1.356 409 M HN 0.199 nan 8.290 nan 0.000 0.415 410 I N -0.480 120.102 120.570 0.020 0.000 2.494 410 I HA -0.029 4.142 4.170 0.001 0.000 0.250 410 I C 0.316 176.452 176.117 0.033 0.000 1.112 410 I CA 0.027 61.343 61.300 0.027 0.000 1.438 410 I CB 0.388 38.412 38.000 0.039 0.000 1.111 410 I HN -0.060 nan 8.210 nan 0.000 0.431 411 V N 2.997 122.936 119.914 0.041 0.000 2.339 411 V HA 0.105 4.225 4.120 0.001 0.000 0.261 411 V C -0.648 175.475 176.094 0.048 0.000 1.058 411 V CA -0.421 61.909 62.300 0.050 0.000 0.897 411 V CB 0.213 32.072 31.823 0.061 0.000 1.052 411 V HN 0.121 nan 8.190 nan 0.000 0.480 412 D N 5.496 125.923 120.400 0.044 0.000 2.390 412 D HA 0.284 4.925 4.640 0.001 0.000 0.249 412 D C 0.055 176.387 176.300 0.053 0.000 1.144 412 D CA 0.003 54.030 54.000 0.045 0.000 0.880 412 D CB 1.020 41.843 40.800 0.038 0.000 1.182 412 D HN 0.216 nan 8.370 nan 0.000 0.451 413 M N 2.767 122.404 119.600 0.060 0.000 2.180 413 M HA 0.216 4.697 4.480 0.001 0.000 0.350 413 M C 0.877 177.215 176.300 0.063 0.000 1.125 413 M CA -0.338 54.999 55.300 0.062 0.000 1.031 413 M CB 1.324 33.967 32.600 0.071 0.000 1.623 413 M HN 0.299 nan 8.290 nan 0.000 0.451 414 L N 0.919 122.172 121.223 0.049 0.000 2.554 414 L HA 0.193 4.534 4.340 0.001 0.000 0.225 414 L C 0.515 177.409 176.870 0.040 0.000 1.104 414 L CA 0.522 55.390 54.840 0.047 0.000 0.866 414 L CB 0.047 42.123 42.059 0.029 0.000 1.047 414 L HN 0.627 nan 8.230 nan 0.000 0.468 415 K N 0.606 121.028 120.400 0.036 0.000 2.375 415 K HA 0.417 4.737 4.320 0.001 0.000 0.249 415 K C -2.544 174.074 176.600 0.030 0.000 0.942 415 K CA -1.894 54.407 56.287 0.024 0.000 0.806 415 K CB 2.374 34.882 32.500 0.014 0.000 1.227 415 K HN -0.289 nan 8.250 nan 0.000 0.430 416 P HA 0.132 nan 4.420 nan 0.000 0.275 416 P C -0.937 176.364 177.300 0.002 0.000 1.228 416 P CA -0.080 63.027 63.100 0.012 0.000 0.786 416 P CB 0.688 32.377 31.700 -0.019 0.000 0.927 417 R N -0.192 120.327 120.500 0.031 0.000 3.758 417 R HA -0.163 4.177 4.340 0.001 0.000 0.299 417 R C 0.929 177.265 176.300 0.060 0.000 1.182 417 R CA 0.652 56.766 56.100 0.023 0.000 0.809 417 R CB -1.222 28.954 30.300 -0.206 0.000 1.249 417 R HN 0.495 nan 8.270 nan 0.000 0.497 418 K N 0.429 120.876 120.400 0.078 0.000 2.214 418 K HA 0.066 4.386 4.320 0.001 0.000 0.201 418 K C 0.953 177.611 176.600 0.096 0.000 1.049 418 K CA 0.308 56.637 56.287 0.071 0.000 0.978 418 K CB 0.137 32.672 32.500 0.057 0.000 0.842 418 K HN 0.222 nan 8.250 nan 0.000 0.474 419 R N 1.715 122.281 120.500 0.111 0.000 2.316 419 R HA 0.213 4.553 4.340 0.001 0.000 0.314 419 R C -0.847 175.527 176.300 0.124 0.000 1.069 419 R CA 0.058 56.225 56.100 0.111 0.000 0.959 419 R CB 0.061 30.420 30.300 0.099 0.000 0.987 419 R HN -0.041 nan 8.270 nan 0.000 0.446 420 L N 5.625 126.927 121.223 0.132 0.000 2.415 420 L HA 0.378 4.718 4.340 0.001 0.000 0.268 420 L C -0.951 176.092 176.870 0.288 0.000 0.984 420 L CA -0.879 54.058 54.840 0.161 0.000 0.853 420 L CB 1.441 43.566 42.059 0.111 0.000 1.215 420 L HN 0.783 nan 8.230 nan 0.000 0.419 421 D N -0.056 120.495 120.400 0.251 0.000 2.758 421 D HA 0.317 4.958 4.640 0.001 0.000 0.262 421 D C 0.698 177.076 176.300 0.128 0.000 1.113 421 D CA -0.634 53.459 54.000 0.154 0.000 1.114 421 D CB 0.846 41.699 40.800 0.089 0.000 1.363 421 D HN 0.068 nan 8.370 nan 0.000 0.617 422 S N -1.156 114.566 115.700 0.036 0.000 2.419 422 S HA 0.284 4.755 4.470 0.001 0.000 0.233 422 S C 1.310 175.985 174.600 0.125 0.000 1.016 422 S CA 0.955 59.156 58.200 0.002 0.000 0.974 422 S CB -1.096 62.100 63.200 -0.008 0.000 0.786 422 S HN 0.991 nan 8.310 nan 0.000 0.492 423 G N 0.748 109.628 108.800 0.133 0.000 2.593 423 G HA2 -0.307 3.653 3.960 0.001 0.000 0.237 423 G HA3 -0.307 3.653 3.960 0.001 0.000 0.237 423 G C 0.657 175.637 174.900 0.133 0.000 1.312 423 G CA 0.095 45.255 45.100 0.100 0.000 0.896 423 G HN 0.201 nan 8.290 nan 0.000 0.574 424 T N -0.284 114.287 114.554 0.028 0.000 2.720 424 T HA -0.128 4.223 4.350 0.001 0.000 0.268 424 T C 1.629 176.597 174.700 0.445 0.000 1.037 424 T CA 2.460 64.640 62.100 0.134 0.000 1.144 424 T CB -0.154 68.630 68.868 -0.140 0.000 0.864 424 T HN 0.428 nan 8.240 nan 0.000 0.444 425 W N 1.101 122.495 121.300 0.157 0.000 3.256 425 W HA 0.452 5.112 4.660 0.001 0.000 0.269 425 W C 1.516 178.053 176.519 0.029 0.000 1.310 425 W CA -0.527 56.861 57.345 0.071 0.000 1.673 425 W CB -1.072 28.412 29.460 0.040 0.000 1.115 425 W HN 0.415 nan 8.180 nan 0.000 0.686 426 G N 1.758 110.754 108.800 0.328 0.000 2.366 426 G HA2 -0.265 3.696 3.960 0.001 0.000 0.299 426 G HA3 -0.265 3.696 3.960 0.001 0.000 0.299 426 G C -0.015 174.898 174.900 0.022 0.000 1.020 426 G CA 0.131 45.337 45.100 0.177 0.000 1.026 426 G HN -0.014 nan 8.290 nan 0.000 0.512 427 V N 2.416 122.332 119.914 0.004 0.000 2.508 427 V HA 0.288 4.409 4.120 0.001 0.000 0.281 427 V C 0.985 176.872 176.094 -0.344 0.000 1.041 427 V CA -0.164 62.032 62.300 -0.173 0.000 1.016 427 V CB 1.137 32.821 31.823 -0.232 0.000 0.984 427 V HN 0.446 nan 8.190 nan 0.000 0.478 428 M N 4.341 123.635 119.600 -0.512 0.000 2.146 428 M HA 0.478 4.958 4.480 0.001 0.000 0.357 428 M C 1.052 176.884 176.300 -0.778 0.000 1.261 428 M CA 0.212 55.075 55.300 -0.729 0.000 1.106 428 M CB 0.107 32.007 32.600 -1.167 0.000 1.612 428 M HN 0.940 nan 8.290 nan 0.000 0.470 429 G N 2.977 111.499 108.800 -0.465 0.000 2.485 429 G HA2 -0.168 3.792 3.960 0.001 0.000 0.181 429 G HA3 -0.168 3.792 3.960 0.001 0.000 0.181 429 G C 0.343 175.017 174.900 -0.377 0.000 0.999 429 G CA 0.120 45.099 45.100 -0.201 0.000 0.721 429 G HN 0.664 nan 8.290 nan 0.000 0.486 430 I N 0.806 120.904 120.570 -0.787 0.000 3.428 430 I HA 0.460 4.630 4.170 0.001 0.000 0.286 430 I C 2.182 177.879 176.117 -0.701 0.000 1.287 430 I CA 0.989 61.611 61.300 -1.130 0.000 1.396 430 I CB -0.866 36.097 38.000 -1.728 0.000 1.062 430 I HN 0.107 nan 8.210 nan 0.000 0.471 431 G N 1.651 110.220 108.800 -0.385 0.000 2.587 431 G HA2 -0.195 3.766 3.960 0.001 0.000 0.217 431 G HA3 -0.195 3.766 3.960 0.001 0.000 0.217 431 G C 1.441 176.326 174.900 -0.025 0.000 1.240 431 G CA 1.339 46.342 45.100 -0.162 0.000 0.794 431 G HN 0.300 nan 8.290 nan 0.000 0.580 432 M N 1.155 120.731 119.600 -0.040 0.000 2.254 432 M HA 0.088 4.569 4.480 0.001 0.000 0.265 432 M C 2.802 179.197 176.300 0.160 0.000 1.066 432 M CA 0.993 56.320 55.300 0.044 0.000 1.123 432 M CB -1.634 30.948 32.600 -0.031 0.000 1.388 432 M HN 0.291 nan 8.290 nan 0.000 0.425 433 G N -0.796 108.134 108.800 0.217 0.000 2.418 433 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 433 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 433 G C 1.362 176.435 174.900 0.288 0.000 1.158 433 G CA 0.439 45.743 45.100 0.341 0.000 0.771 433 G HN 0.270 nan 8.290 nan 0.000 0.545 434 Y N 0.782 121.106 120.300 0.040 0.000 2.165 434 Y HA -0.150 4.401 4.550 0.001 0.000 0.286 434 Y C 3.177 179.082 175.900 0.009 0.000 1.155 434 Y CA 0.223 58.326 58.100 0.005 0.000 1.164 434 Y CB -1.048 37.413 38.460 0.001 0.000 0.978 434 Y HN 0.228 nan 8.280 nan 0.000 0.513 435 C N -1.291 118.130 119.300 0.201 0.000 2.413 435 C HA -0.151 4.310 4.460 0.001 0.000 0.276 435 C C 2.869 177.903 174.990 0.074 0.000 1.236 435 C CA 1.006 60.098 59.018 0.122 0.000 1.735 435 C CB -1.273 26.537 27.740 0.115 0.000 2.031 435 C HN 0.336 nan 8.230 nan 0.000 0.474 436 V N 1.443 121.404 119.914 0.077 0.000 2.261 436 V HA -0.231 3.889 4.120 0.001 0.000 0.246 436 V C 2.717 178.762 176.094 -0.082 0.000 1.047 436 V CA 2.355 64.650 62.300 -0.009 0.000 1.015 436 V CB -1.367 30.465 31.823 0.016 0.000 0.642 436 V HN 0.614 nan 8.190 nan 0.000 0.446 437 A N -0.040 122.727 122.820 -0.088 0.000 1.877 437 A HA -0.114 4.206 4.320 0.001 0.000 0.216 437 A C 2.447 180.000 177.584 -0.052 0.000 1.186 437 A CA 2.187 54.136 52.037 -0.147 0.000 0.620 437 A CB -0.922 17.877 19.000 -0.336 0.000 0.822 437 A HN 0.581 nan 8.150 nan 0.000 0.443 438 A N -0.055 122.741 122.820 -0.041 0.000 1.883 438 A HA 0.082 4.402 4.320 0.001 0.000 0.217 438 A C 2.541 180.131 177.584 0.010 0.000 1.186 438 A CA 2.453 54.482 52.037 -0.014 0.000 0.624 438 A CB -1.153 17.852 19.000 0.009 0.000 0.822 438 A HN 1.129 nan 8.150 nan 0.000 0.444 439 A N -0.229 122.601 122.820 0.017 0.000 1.883 439 A HA 0.115 4.435 4.320 0.001 0.000 0.217 439 A C 2.548 180.153 177.584 0.035 0.000 1.186 439 A CA 2.407 54.464 52.037 0.033 0.000 0.624 439 A CB -1.139 17.887 19.000 0.043 0.000 0.822 439 A HN 1.125 nan 8.150 nan 0.000 0.444 440 A N -0.226 122.592 122.820 -0.004 0.000 1.858 440 A HA -0.031 4.289 4.320 0.001 0.000 0.216 440 A C 2.335 179.967 177.584 0.080 0.000 1.190 440 A CA 2.543 54.600 52.037 0.033 0.000 0.617 440 A CB -1.221 17.712 19.000 -0.111 0.000 0.827 440 A HN 1.205 nan 8.150 nan 0.000 0.443 441 V N -2.216 117.737 119.914 0.066 0.000 2.788 441 V HA -0.059 4.061 4.120 0.001 0.000 0.251 441 V C 2.243 178.357 176.094 0.033 0.000 1.068 441 V CA 2.224 64.560 62.300 0.059 0.000 1.090 441 V CB -1.313 30.542 31.823 0.053 0.000 0.710 441 V HN 0.679 nan 8.190 nan 0.000 0.467 442 T N -2.711 111.859 114.554 0.026 0.000 3.009 442 T HA 0.283 4.634 4.350 0.001 0.000 0.258 442 T C 1.861 176.579 174.700 0.031 0.000 1.063 442 T CA 1.050 63.162 62.100 0.020 0.000 1.139 442 T CB -0.267 68.610 68.868 0.016 0.000 0.890 442 T HN 1.638 nan 8.240 nan 0.000 0.471 443 G N 1.552 110.379 108.800 0.046 0.000 2.203 443 G HA2 -0.254 3.706 3.960 0.001 0.000 0.263 443 G HA3 -0.254 3.706 3.960 0.001 0.000 0.263 443 G C -0.084 174.845 174.900 0.049 0.000 1.012 443 G CA 0.717 45.849 45.100 0.053 0.000 0.749 443 G HN 0.752 nan 8.290 nan 0.000 0.512 444 K N -0.487 119.942 120.400 0.048 0.000 2.433 444 K HA 0.591 4.911 4.320 0.001 0.000 0.252 444 K C -2.616 174.020 176.600 0.059 0.000 1.015 444 K CA -2.312 54.004 56.287 0.049 0.000 0.860 444 K CB 2.060 34.583 32.500 0.038 0.000 1.359 444 K HN -0.062 nan 8.250 nan 0.000 0.452 445 P HA 0.120 nan 4.420 nan 0.000 0.271 445 P C -1.167 176.181 177.300 0.079 0.000 1.244 445 P CA -0.478 62.671 63.100 0.081 0.000 0.793 445 P CB 0.531 32.292 31.700 0.102 0.000 0.984 446 V N 1.461 121.423 119.914 0.080 0.000 2.686 446 V HA 0.409 4.529 4.120 0.001 0.000 0.306 446 V C -0.102 176.034 176.094 0.070 0.000 1.065 446 V CA -0.449 61.897 62.300 0.077 0.000 0.894 446 V CB 1.854 33.721 31.823 0.074 0.000 1.004 446 V HN 0.345 nan 8.190 nan 0.000 0.424 447 I N 3.313 123.925 120.570 0.071 0.000 2.404 447 I HA 0.773 4.944 4.170 0.001 0.000 0.293 447 I C 0.275 176.423 176.117 0.050 0.000 0.992 447 I CA -0.605 60.720 61.300 0.041 0.000 1.149 447 I CB 1.938 39.960 38.000 0.037 0.000 1.315 447 I HN 0.716 nan 8.210 nan 0.000 0.446 448 A N 6.357 129.199 122.820 0.036 0.000 2.303 448 A HA 0.688 5.008 4.320 0.001 0.000 0.320 448 A C -0.644 176.951 177.584 0.018 0.000 1.192 448 A CA -0.483 51.581 52.037 0.045 0.000 0.821 448 A CB 1.116 20.155 19.000 0.065 0.000 1.188 448 A HN 0.458 nan 8.150 nan 0.000 0.492 449 V N 4.153 124.083 119.914 0.028 0.000 2.318 449 V HA 0.299 4.420 4.120 0.001 0.000 0.271 449 V C -0.365 175.745 176.094 0.028 0.000 1.030 449 V CA -0.352 61.959 62.300 0.018 0.000 0.844 449 V CB 0.788 32.632 31.823 0.035 0.000 1.015 449 V HN 0.855 nan 8.190 nan 0.000 0.460 450 E N 3.329 123.534 120.200 0.009 0.000 2.158 450 E HA 0.441 4.792 4.350 0.001 0.000 0.271 450 E C 0.454 177.069 176.600 0.026 0.000 0.911 450 E CA -0.315 56.103 56.400 0.029 0.000 0.767 450 E CB 2.349 32.078 29.700 0.048 0.000 1.120 450 E HN 0.717 nan 8.360 nan 0.000 0.405 451 G N 2.085 110.924 108.800 0.064 0.000 2.554 451 G HA2 -0.044 3.916 3.960 0.001 0.000 0.238 451 G HA3 -0.044 3.916 3.960 0.001 0.000 0.238 451 G C 0.766 175.698 174.900 0.054 0.000 1.259 451 G CA -0.248 44.901 45.100 0.082 0.000 0.843 451 G HN 0.504 nan 8.290 nan 0.000 0.582 452 D N 0.354 120.768 120.400 0.023 0.000 2.149 452 D HA -0.158 4.483 4.640 0.001 0.000 0.201 452 D C 2.177 178.539 176.300 0.103 0.000 0.972 452 D CA 1.286 55.269 54.000 -0.029 0.000 0.835 452 D CB -0.547 40.230 40.800 -0.038 0.000 0.966 452 D HN 0.346 nan 8.370 nan 0.000 0.476 453 S N 0.520 116.284 115.700 0.108 0.000 2.348 453 S HA -0.094 4.377 4.470 0.001 0.000 0.221 453 S C 2.215 176.975 174.600 0.267 0.000 1.033 453 S CA 1.815 60.095 58.200 0.134 0.000 1.010 453 S CB -0.628 62.629 63.200 0.094 0.000 0.891 453 S HN 0.402 nan 8.310 nan 0.000 0.442 454 A N 1.098 124.062 122.820 0.240 0.000 1.884 454 A HA -0.135 4.186 4.320 0.001 0.000 0.219 454 A C 2.041 179.775 177.584 0.249 0.000 1.197 454 A CA 2.075 54.250 52.037 0.231 0.000 0.637 454 A CB -1.422 17.620 19.000 0.070 0.000 0.827 454 A HN 0.733 nan 8.150 nan 0.000 0.450 455 F N 1.333 121.299 119.950 0.028 0.000 2.154 455 F HA -0.124 4.404 4.527 0.001 0.000 0.301 455 F C 2.174 177.978 175.800 0.007 0.000 1.087 455 F CA 1.663 59.641 58.000 -0.038 0.000 1.274 455 F CB -0.676 38.219 39.000 -0.175 0.000 1.009 455 F HN 0.177 nan 8.300 nan 0.000 0.485 456 G N -1.152 107.600 108.800 -0.081 0.000 2.559 456 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 456 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 456 G C 1.410 176.133 174.900 -0.295 0.000 1.126 456 G CA 0.512 45.483 45.100 -0.214 0.000 0.778 456 G HN 0.429 nan 8.290 nan 0.000 0.543 457 F N 1.470 121.299 119.950 -0.200 0.000 2.325 457 F HA 0.049 4.576 4.527 0.001 0.000 0.299 457 F C 2.498 178.184 175.800 -0.189 0.000 1.090 457 F CA 1.365 59.283 58.000 -0.136 0.000 1.392 457 F CB 0.355 39.302 39.000 -0.089 0.000 1.053 457 F HN 0.219 nan 8.300 nan 0.000 0.521 458 S N -1.587 113.939 115.700 -0.290 0.000 2.846 458 S HA 0.292 4.763 4.470 0.001 0.000 0.249 458 S C 1.712 175.934 174.600 -0.630 0.000 1.028 458 S CA 0.101 57.851 58.200 -0.750 0.000 1.043 458 S CB -0.125 62.544 63.200 -0.885 0.000 0.990 458 S HN 0.206 nan 8.310 nan 0.000 0.564 459 G N 2.025 110.388 108.800 -0.728 0.000 2.448 459 G HA2 -0.143 3.818 3.960 0.001 0.000 0.219 459 G HA3 -0.143 3.818 3.960 0.001 0.000 0.219 459 G C 1.181 175.898 174.900 -0.305 0.000 1.127 459 G CA 1.022 45.516 45.100 -1.011 0.000 0.766 459 G HN 0.484 nan 8.290 nan 0.000 0.552 460 M N 0.909 120.399 119.600 -0.183 0.000 2.358 460 M HA 0.049 4.530 4.480 0.001 0.000 0.264 460 M C 1.920 178.153 176.300 -0.111 0.000 1.064 460 M CA 0.812 56.067 55.300 -0.075 0.000 1.093 460 M CB -0.185 32.406 32.600 -0.015 0.000 1.401 460 M HN 0.075 nan 8.290 nan 0.000 0.440 461 E N -0.300 119.845 120.200 -0.093 0.000 2.472 461 E HA -0.105 4.246 4.350 0.001 0.000 0.200 461 E C 1.819 178.401 176.600 -0.030 0.000 1.046 461 E CA 0.364 56.742 56.400 -0.036 0.000 0.871 461 E CB -0.507 29.206 29.700 0.022 0.000 0.806 461 E HN 0.359 nan 8.360 nan 0.000 0.533 462 L N 1.737 122.964 121.223 0.008 0.000 2.051 462 L HA -0.238 4.103 4.340 0.001 0.000 0.214 462 L C 2.353 179.203 176.870 -0.033 0.000 1.076 462 L CA 1.745 56.637 54.840 0.086 0.000 0.758 462 L CB -0.808 41.401 42.059 0.251 0.000 0.890 462 L HN 0.155 nan 8.230 nan 0.000 0.433 463 E N -0.948 119.060 120.200 -0.319 0.000 2.110 463 E HA -0.180 4.170 4.350 0.001 0.000 0.193 463 E C 1.896 178.381 176.600 -0.192 0.000 0.988 463 E CA 1.728 57.837 56.400 -0.486 0.000 0.804 463 E CB 0.105 29.207 29.700 -0.996 0.000 0.745 463 E HN 0.516 nan 8.360 nan 0.000 0.458 464 T N 1.329 115.807 114.554 -0.126 0.000 2.777 464 T HA -0.073 4.277 4.350 0.001 0.000 0.266 464 T C 2.101 176.847 174.700 0.077 0.000 1.040 464 T CA 1.266 63.341 62.100 -0.042 0.000 1.141 464 T CB -0.183 68.601 68.868 -0.140 0.000 0.868 464 T HN 0.165 nan 8.240 nan 0.000 0.444 465 I N 0.803 121.406 120.570 0.055 0.000 2.208 465 I HA -0.204 3.967 4.170 0.001 0.000 0.245 465 I C 2.581 178.769 176.117 0.118 0.000 1.097 465 I CA 0.876 62.241 61.300 0.109 0.000 1.363 465 I CB -0.407 37.653 38.000 0.101 0.000 1.051 465 I HN 0.339 nan 8.210 nan 0.000 0.413 466 C N -0.032 119.317 119.300 0.081 0.000 2.466 466 C HA -0.111 4.350 4.460 0.001 0.000 0.278 466 C C 2.922 177.928 174.990 0.026 0.000 1.288 466 C CA 0.630 59.697 59.018 0.083 0.000 1.722 466 C CB -1.081 26.736 27.740 0.128 0.000 2.017 466 C HN 0.471 nan 8.230 nan 0.000 0.488 467 R N -0.226 120.235 120.500 -0.065 0.000 2.127 467 R HA -0.161 4.180 4.340 0.001 0.000 0.238 467 R C 1.196 177.275 176.300 -0.368 0.000 1.134 467 R CA 1.855 57.807 56.100 -0.245 0.000 0.975 467 R CB -0.277 29.787 30.300 -0.393 0.000 0.865 467 R HN 0.629 nan 8.270 nan 0.000 0.447 468 Y N 0.609 120.948 120.300 0.065 0.000 2.458 468 Y HA 0.260 4.811 4.550 0.000 0.000 0.256 468 Y C -0.006 175.953 175.900 0.098 0.000 1.159 468 Y CA -0.440 57.721 58.100 0.101 0.000 1.261 468 Y CB 0.306 38.884 38.460 0.198 0.000 1.119 468 Y HN 0.077 nan 8.280 nan 0.000 0.524 469 N N 0.789 119.584 118.700 0.158 0.000 2.725 469 N HA -0.204 4.537 4.740 0.001 0.000 0.251 469 N C -0.911 174.686 175.510 0.145 0.000 1.031 469 N CA 0.641 53.767 53.050 0.127 0.000 0.720 469 N CB -1.595 36.952 38.487 0.100 0.000 0.930 469 N HN 0.371 nan 8.380 nan 0.000 0.543 470 L N 0.764 122.082 121.223 0.158 0.000 2.375 470 L HA 0.318 4.658 4.340 0.001 0.000 0.271 470 L C -1.311 175.626 176.870 0.110 0.000 1.107 470 L CA -1.640 53.285 54.840 0.141 0.000 0.806 470 L CB 0.606 42.749 42.059 0.140 0.000 1.146 470 L HN -0.107 nan 8.230 nan 0.000 0.447 471 P HA 0.082 nan 4.420 nan 0.000 0.226 471 P C -0.741 176.608 177.300 0.081 0.000 1.783 471 P CA 0.097 63.249 63.100 0.087 0.000 0.980 471 P CB -0.060 31.689 31.700 0.082 0.000 1.967 472 V N 1.489 121.453 119.914 0.083 0.000 2.459 472 V HA 0.359 4.480 4.120 0.001 0.000 0.295 472 V C 0.451 176.584 176.094 0.065 0.000 1.029 472 V CA -0.157 62.189 62.300 0.076 0.000 0.874 472 V CB 2.064 33.939 31.823 0.087 0.000 0.985 472 V HN 0.135 nan 8.190 nan 0.000 0.438 473 T N 4.193 118.770 114.554 0.038 0.000 2.809 473 T HA 0.423 4.773 4.350 0.001 0.000 0.296 473 T C -0.265 174.433 174.700 -0.003 0.000 1.015 473 T CA -0.323 61.779 62.100 0.003 0.000 0.954 473 T CB 1.250 70.079 68.868 -0.065 0.000 0.950 473 T HN 0.338 nan 8.240 nan 0.000 0.450 474 V N 5.591 125.509 119.914 0.006 0.000 2.408 474 V HA 0.363 4.484 4.120 0.001 0.000 0.267 474 V C 0.230 176.275 176.094 -0.082 0.000 1.047 474 V CA -0.571 61.718 62.300 -0.018 0.000 0.937 474 V CB 0.528 32.351 31.823 0.000 0.000 0.999 474 V HN 0.798 nan 8.190 nan 0.000 0.472 475 I N 6.231 126.746 120.570 -0.091 0.000 2.307 475 I HA 0.329 4.500 4.170 0.001 0.000 0.289 475 I C -0.345 175.682 176.117 -0.150 0.000 1.021 475 I CA -0.422 60.809 61.300 -0.115 0.000 1.224 475 I CB 1.129 39.073 38.000 -0.094 0.000 1.376 475 I HN 0.357 nan 8.210 nan 0.000 0.470 476 I N 7.221 127.655 120.570 -0.226 0.000 2.337 476 I HA 0.162 4.333 4.170 0.001 0.000 0.291 476 I C 0.401 176.411 176.117 -0.178 0.000 1.046 476 I CA -0.421 60.694 61.300 -0.307 0.000 1.324 476 I CB 0.953 38.612 38.000 -0.569 0.000 1.409 476 I HN 0.484 nan 8.210 nan 0.000 0.494 477 M N 5.759 125.289 119.600 -0.116 0.000 3.011 477 M HA 0.067 4.548 4.480 0.001 0.000 0.292 477 M C 0.401 176.660 176.300 -0.069 0.000 1.440 477 M CA -0.023 55.230 55.300 -0.078 0.000 1.552 477 M CB -1.282 31.332 32.600 0.023 0.000 1.187 477 M HN 0.339 nan 8.290 nan 0.000 0.520 478 N N 3.568 122.223 118.700 -0.074 0.000 2.807 478 N HA 0.037 4.777 4.740 0.001 0.000 0.259 478 N C 0.433 175.944 175.510 0.001 0.000 1.149 478 N CA 0.032 53.078 53.050 -0.008 0.000 1.042 478 N CB 0.214 38.731 38.487 0.051 0.000 1.367 478 N HN 0.407 nan 8.380 nan 0.000 0.516 479 N N 1.947 120.658 118.700 0.017 0.000 2.280 479 N HA 0.080 4.821 4.740 0.001 0.000 0.192 479 N C 0.846 176.389 175.510 0.054 0.000 1.109 479 N CA 0.410 53.476 53.050 0.026 0.000 0.855 479 N CB -0.079 38.440 38.487 0.054 0.000 0.974 479 N HN 0.391 nan 8.380 nan 0.000 0.482 480 G N -1.357 107.484 108.800 0.070 0.000 2.160 480 G HA2 0.072 4.032 3.960 0.001 0.000 0.244 480 G HA3 0.072 4.032 3.960 0.001 0.000 0.244 480 G C 0.270 175.205 174.900 0.058 0.000 1.022 480 G CA 0.295 45.436 45.100 0.068 0.000 0.741 480 G HN 1.003 nan 8.290 nan 0.000 0.508 481 G N -1.438 107.397 108.800 0.058 0.000 2.317 481 G HA2 0.490 4.451 3.960 0.001 0.000 0.293 481 G HA3 0.490 4.451 3.960 0.001 0.000 0.293 481 G C -0.821 174.071 174.900 -0.013 0.000 1.287 481 G CA -0.482 44.632 45.100 0.024 0.000 0.850 481 G HN 0.798 nan 8.290 nan 0.000 0.515 482 I N 1.874 122.378 120.570 -0.110 0.000 2.322 482 I HA 0.289 4.460 4.170 0.001 0.000 0.292 482 I C 0.845 176.726 176.117 -0.392 0.000 1.060 482 I CA -0.065 61.025 61.300 -0.351 0.000 1.309 482 I CB -0.096 37.607 38.000 -0.495 0.000 1.415 482 I HN 0.723 nan 8.210 nan 0.000 0.492 483 Y N 3.434 123.774 120.300 0.067 0.000 2.802 483 Y HA -0.367 4.184 4.550 0.001 0.000 0.485 483 Y C 0.505 176.456 175.900 0.084 0.000 1.190 483 Y CA 0.714 58.847 58.100 0.055 0.000 2.757 483 Y CB -1.391 37.087 38.460 0.029 0.000 0.919 483 Y HN 0.508 nan 8.280 nan 0.000 0.540 484 K N -0.726 119.798 120.400 0.207 0.000 2.508 484 K HA 0.690 5.010 4.320 0.001 0.000 0.260 484 K C 0.701 177.357 176.600 0.093 0.000 0.949 484 K CA -0.149 56.228 56.287 0.150 0.000 0.834 484 K CB 2.099 34.682 32.500 0.139 0.000 1.365 484 K HN 0.151 nan 8.250 nan 0.000 0.437 485 G N 0.760 109.607 108.800 0.079 0.000 3.393 485 G HA2 -0.027 3.934 3.960 0.001 0.000 0.255 485 G HA3 -0.027 3.934 3.960 0.001 0.000 0.255 485 G C 0.126 175.052 174.900 0.043 0.000 1.097 485 G CA -0.187 44.945 45.100 0.054 0.000 0.780 485 G HN 0.624 nan 8.290 nan 0.000 0.540 486 N N -0.347 118.381 118.700 0.047 0.000 2.299 486 N HA 0.072 4.813 4.740 0.001 0.000 0.246 486 N C -0.148 175.383 175.510 0.035 0.000 1.254 486 N CA -0.547 52.526 53.050 0.037 0.000 0.879 486 N CB 0.139 38.648 38.487 0.038 0.000 1.214 486 N HN 0.289 nan 8.380 nan 0.000 0.510 487 E N 1.090 121.313 120.200 0.038 0.000 2.376 487 E HA 0.378 4.729 4.350 0.001 0.000 0.266 487 E C -0.105 176.510 176.600 0.026 0.000 1.009 487 E CA -0.426 55.995 56.400 0.036 0.000 0.902 487 E CB 0.658 30.381 29.700 0.040 0.000 0.972 487 E HN 0.397 nan 8.360 nan 0.000 0.439 488 A N 4.739 127.573 122.820 0.023 0.000 2.483 488 A HA 0.004 4.325 4.320 0.001 0.000 0.238 488 A C -0.339 177.253 177.584 0.015 0.000 1.070 488 A CA -0.325 51.722 52.037 0.017 0.000 0.770 488 A CB 0.232 19.242 19.000 0.016 0.000 1.008 488 A HN 0.711 nan 8.150 nan 0.000 0.497 489 D N 3.115 123.522 120.400 0.011 0.000 2.472 489 D HA 0.154 4.794 4.640 0.001 0.000 0.248 489 D C -1.161 175.145 176.300 0.009 0.000 1.174 489 D CA -0.799 53.206 54.000 0.009 0.000 0.883 489 D CB 0.601 41.404 40.800 0.006 0.000 1.149 489 D HN 0.314 nan 8.370 nan 0.000 0.488 490 P HA -0.087 nan 4.420 nan 0.000 0.223 490 P C 0.122 177.426 177.300 0.006 0.000 1.151 490 P CA 0.918 64.023 63.100 0.008 0.000 0.787 490 P CB 0.697 32.402 31.700 0.008 0.000 0.788 491 Q N -1.309 118.494 119.800 0.005 0.000 2.501 491 Q HA 0.407 4.747 4.340 0.001 0.000 0.288 491 Q C -2.892 173.110 176.000 0.003 0.000 1.051 491 Q CA -2.427 53.378 55.803 0.004 0.000 0.788 491 Q CB 1.126 29.865 28.738 0.003 0.000 1.469 491 Q HN -0.108 nan 8.270 nan 0.000 0.416 492 P HA 0.117 nan 4.420 nan 0.000 0.265 492 P C 0.542 177.842 177.300 0.001 0.000 1.222 492 P CA 1.041 64.142 63.100 0.002 0.000 0.767 492 P CB 0.020 31.721 31.700 0.001 0.000 0.801 493 G N 1.871 110.672 108.800 0.001 0.000 2.159 493 G HA2 -0.198 3.763 3.960 0.001 0.000 0.256 493 G HA3 -0.198 3.763 3.960 0.001 0.000 0.256 493 G C -0.028 174.871 174.900 -0.001 0.000 0.977 493 G CA -0.192 44.908 45.100 -0.000 0.000 0.652 493 G HN 0.514 nan 8.290 nan 0.000 0.531 494 V N 1.814 121.729 119.914 0.000 0.000 2.370 494 V HA 0.558 4.678 4.120 0.001 0.000 0.283 494 V C 0.901 176.995 176.094 0.001 0.000 1.023 494 V CA -0.833 61.467 62.300 0.000 0.000 0.857 494 V CB 1.790 33.613 31.823 0.001 0.000 0.985 494 V HN 0.391 nan 8.190 nan 0.000 0.443 495 I N 3.620 124.190 120.570 -0.000 0.000 2.529 495 I HA 0.190 4.361 4.170 0.001 0.000 0.284 495 I C 1.047 177.165 176.117 0.002 0.000 1.082 495 I CA 0.472 61.773 61.300 0.001 0.000 1.406 495 I CB 1.332 39.331 38.000 -0.002 0.000 1.405 495 I HN 0.773 nan 8.210 nan 0.000 0.548 496 S N 5.602 121.305 115.700 0.005 0.000 2.568 496 S HA -0.043 4.427 4.470 0.001 0.000 0.282 496 S C 1.442 176.043 174.600 0.002 0.000 1.338 496 S CA -0.286 57.919 58.200 0.007 0.000 1.045 496 S CB 0.558 63.766 63.200 0.014 0.000 0.873 496 S HN 0.866 nan 8.310 nan 0.000 0.516 497 C N 2.666 121.967 119.300 0.001 0.000 2.419 497 C HA 0.026 4.487 4.460 0.001 0.000 0.281 497 C C 2.396 177.376 174.990 -0.017 0.000 1.336 497 C CA 0.893 59.906 59.018 -0.007 0.000 1.770 497 C CB -2.334 25.403 27.740 -0.004 0.000 1.929 497 C HN 0.964 nan 8.230 nan 0.000 0.509 498 T N -2.765 111.781 114.554 -0.013 0.000 3.100 498 T HA 0.149 4.500 4.350 0.001 0.000 0.253 498 T C 0.817 175.502 174.700 -0.026 0.000 1.118 498 T CA 0.068 62.146 62.100 -0.036 0.000 1.058 498 T CB -0.257 68.601 68.868 -0.016 0.000 0.953 498 T HN 0.485 nan 8.240 nan 0.000 0.515 499 R N 1.038 121.533 120.500 -0.007 0.000 2.539 499 R HA 0.627 4.968 4.340 0.001 0.000 0.275 499 R C -0.372 175.930 176.300 0.005 0.000 1.077 499 R CA -0.285 55.817 56.100 0.004 0.000 1.097 499 R CB 0.798 31.102 30.300 0.007 0.000 1.018 499 R HN 0.379 nan 8.270 nan 0.000 0.483 500 L N 0.434 121.670 121.223 0.022 0.000 2.371 500 L HA 0.347 4.687 4.340 0.001 0.000 0.262 500 L C 0.137 177.029 176.870 0.036 0.000 1.006 500 L CA -0.971 53.891 54.840 0.036 0.000 0.818 500 L CB 2.242 44.344 42.059 0.072 0.000 1.354 500 L HN 0.504 nan 8.230 nan 0.000 0.415 501 T N 0.770 115.338 114.554 0.022 0.000 2.871 501 T HA -0.008 4.343 4.350 0.001 0.000 0.296 501 T C 0.554 175.263 174.700 0.015 0.000 0.998 501 T CA 0.104 62.202 62.100 -0.004 0.000 1.162 501 T CB -0.031 68.810 68.868 -0.045 0.000 0.947 501 T HN 0.355 nan 8.240 nan 0.000 0.536 502 R N 2.851 123.359 120.500 0.013 0.000 4.154 502 R HA 0.299 4.639 4.340 0.001 0.000 0.186 502 R C 0.928 177.216 176.300 -0.021 0.000 1.750 502 R CA -0.225 55.897 56.100 0.036 0.000 1.431 502 R CB -0.658 29.657 30.300 0.025 0.000 1.383 502 R HN 0.784 nan 8.270 nan 0.000 0.788 503 G N 0.789 109.517 108.800 -0.121 0.000 2.528 503 G HA2 0.136 4.096 3.960 0.001 0.000 0.289 503 G HA3 0.136 4.096 3.960 0.001 0.000 0.289 503 G C -0.324 174.386 174.900 -0.317 0.000 1.192 503 G CA -0.754 44.153 45.100 -0.321 0.000 0.921 503 G HN 0.395 nan 8.290 nan 0.000 0.512 504 R N 0.939 121.280 120.500 -0.266 0.000 4.138 504 R HA 0.112 4.452 4.340 0.001 0.000 0.206 504 R C 0.287 176.504 176.300 -0.139 0.000 1.667 504 R CA -0.363 55.652 56.100 -0.140 0.000 1.481 504 R CB -0.635 29.607 30.300 -0.096 0.000 1.388 504 R HN 0.626 nan 8.270 nan 0.000 0.776 505 Y N 1.021 121.299 120.300 -0.037 0.000 2.315 505 Y HA -0.277 4.273 4.550 0.001 0.000 0.288 505 Y C 2.137 178.013 175.900 -0.041 0.000 1.154 505 Y CA 1.672 59.739 58.100 -0.055 0.000 1.229 505 Y CB -0.040 38.307 38.460 -0.188 0.000 0.980 505 Y HN 0.437 nan 8.280 nan 0.000 0.540 506 D N -0.101 120.355 120.400 0.094 0.000 2.133 506 D HA -0.261 4.380 4.640 0.001 0.000 0.195 506 D C 1.916 178.224 176.300 0.012 0.000 0.997 506 D CA 1.682 55.711 54.000 0.048 0.000 0.840 506 D CB -0.677 40.139 40.800 0.028 0.000 0.947 506 D HN 0.366 nan 8.370 nan 0.000 0.452 507 M N -0.248 119.342 119.600 -0.017 0.000 2.132 507 M HA -0.062 4.419 4.480 0.001 0.000 0.263 507 M C 2.617 178.884 176.300 -0.055 0.000 1.065 507 M CA 1.033 56.302 55.300 -0.050 0.000 1.122 507 M CB -0.222 32.337 32.600 -0.068 0.000 1.365 507 M HN 0.035 nan 8.290 nan 0.000 0.411 508 M N -0.086 119.510 119.600 -0.005 0.000 2.080 508 M HA -0.276 4.205 4.480 0.001 0.000 0.260 508 M C 2.241 178.601 176.300 0.100 0.000 1.068 508 M CA 1.787 57.117 55.300 0.050 0.000 1.109 508 M CB -0.143 32.570 32.600 0.189 0.000 1.342 508 M HN 0.251 nan 8.290 nan 0.000 0.405 509 M N 0.939 120.630 119.600 0.151 0.000 2.108 509 M HA -0.191 4.289 4.480 0.001 0.000 0.261 509 M C 1.601 177.961 176.300 0.099 0.000 1.066 509 M CA 1.969 57.384 55.300 0.191 0.000 1.107 509 M CB -0.539 32.148 32.600 0.144 0.000 1.356 509 M HN 0.338 nan 8.290 nan 0.000 0.406 510 E N -0.629 119.569 120.200 -0.004 0.000 2.274 510 E HA -0.039 4.311 4.350 0.001 0.000 0.194 510 E C 1.860 178.379 176.600 -0.136 0.000 0.996 510 E CA 0.714 57.083 56.400 -0.052 0.000 0.840 510 E CB -0.254 29.405 29.700 -0.068 0.000 0.772 510 E HN 0.643 nan 8.360 nan 0.000 0.491 511 A N 0.663 123.312 122.820 -0.285 0.000 2.070 511 A HA -0.135 4.185 4.320 0.001 0.000 0.220 511 A C 1.248 178.421 177.584 -0.684 0.000 1.159 511 A CA 1.055 52.761 52.037 -0.551 0.000 0.656 511 A CB -0.339 18.175 19.000 -0.809 0.000 0.800 511 A HN 0.178 nan 8.150 nan 0.000 0.453 512 F N -1.441 118.523 119.950 0.025 0.000 2.668 512 F HA 0.451 4.978 4.527 0.001 0.000 0.301 512 F C 1.586 177.395 175.800 0.015 0.000 1.106 512 F CA 0.033 58.046 58.000 0.022 0.000 1.289 512 F CB 0.146 39.167 39.000 0.034 0.000 1.006 512 F HN 0.276 nan 8.300 nan 0.000 0.535 513 G N 0.075 108.928 108.800 0.089 0.000 2.157 513 G HA2 -0.161 3.799 3.960 0.001 0.000 0.239 513 G HA3 -0.161 3.799 3.960 0.001 0.000 0.239 513 G C 0.677 175.619 174.900 0.070 0.000 0.982 513 G CA -0.296 44.842 45.100 0.063 0.000 0.650 513 G HN 0.762 nan 8.290 nan 0.000 0.527 514 G N -0.361 108.496 108.800 0.096 0.000 2.562 514 G HA2 0.562 4.523 3.960 0.001 0.000 0.275 514 G HA3 0.562 4.523 3.960 0.001 0.000 0.275 514 G C -0.049 174.877 174.900 0.043 0.000 1.196 514 G CA -0.518 44.637 45.100 0.092 0.000 0.908 514 G HN 0.408 nan 8.290 nan 0.000 0.524 515 K N -0.142 120.286 120.400 0.046 0.000 2.201 515 K HA 0.523 4.843 4.320 0.001 0.000 0.278 515 K C 0.219 176.803 176.600 -0.026 0.000 1.027 515 K CA -0.254 56.015 56.287 -0.030 0.000 0.909 515 K CB 1.762 34.260 32.500 -0.004 0.000 1.062 515 K HN 0.507 nan 8.250 nan 0.000 0.465 516 G N 2.132 110.836 108.800 -0.159 0.000 2.452 516 G HA2 0.556 4.516 3.960 0.001 0.000 0.324 516 G HA3 0.556 4.516 3.960 0.001 0.000 0.324 516 G C -1.528 173.228 174.900 -0.241 0.000 1.214 516 G CA -0.380 44.672 45.100 -0.079 0.000 0.947 516 G HN 0.406 nan 8.290 nan 0.000 0.478 517 Y N 0.016 120.307 120.300 -0.016 0.000 2.512 517 Y HA 0.530 5.080 4.550 0.001 0.000 0.348 517 Y C -0.145 175.741 175.900 -0.024 0.000 0.990 517 Y CA -0.972 57.114 58.100 -0.022 0.000 1.033 517 Y CB 2.704 41.145 38.460 -0.032 0.000 1.259 517 Y HN 0.377 nan 8.280 nan 0.000 0.461 518 V N 2.362 122.356 119.914 0.133 0.000 2.417 518 V HA 0.767 4.888 4.120 0.001 0.000 0.291 518 V C -0.383 175.749 176.094 0.062 0.000 1.024 518 V CA -0.830 61.513 62.300 0.072 0.000 0.861 518 V CB 1.228 33.072 31.823 0.035 0.000 0.985 518 V HN 0.854 nan 8.190 nan 0.000 0.436 519 A N 3.468 126.303 122.820 0.026 0.000 2.277 519 A HA 0.514 4.835 4.320 0.001 0.000 0.318 519 A C 0.383 177.958 177.584 -0.015 0.000 1.339 519 A CA -0.530 51.506 52.037 -0.003 0.000 0.875 519 A CB 0.028 19.007 19.000 -0.036 0.000 1.158 519 A HN 0.911 nan 8.150 nan 0.000 0.514 520 N N 0.530 119.224 118.700 -0.010 0.000 2.325 520 N HA 0.060 4.801 4.740 0.001 0.000 0.182 520 N C 0.207 175.704 175.510 -0.021 0.000 1.088 520 N CA 0.852 53.893 53.050 -0.015 0.000 0.879 520 N CB 0.654 39.136 38.487 -0.008 0.000 0.983 520 N HN 0.756 nan 8.380 nan 0.000 0.471 521 T N -3.695 110.846 114.554 -0.021 0.000 2.883 521 T HA 0.304 4.655 4.350 0.001 0.000 0.301 521 T C -2.522 172.162 174.700 -0.026 0.000 1.158 521 T CA -1.868 60.219 62.100 -0.022 0.000 1.007 521 T CB 2.204 71.064 68.868 -0.013 0.000 1.186 521 T HN -0.350 nan 8.240 nan 0.000 0.499 522 P HA -0.057 nan 4.420 nan 0.000 0.216 522 P C 1.657 178.944 177.300 -0.022 0.000 1.150 522 P CA 1.768 64.853 63.100 -0.025 0.000 0.843 522 P CB -0.216 31.475 31.700 -0.016 0.000 0.787 523 A N -0.052 122.760 122.820 -0.014 0.000 1.902 523 A HA -0.235 4.086 4.320 0.001 0.000 0.217 523 A C 2.154 179.729 177.584 -0.015 0.000 1.181 523 A CA 1.665 53.696 52.037 -0.010 0.000 0.623 523 A CB -1.201 17.797 19.000 -0.003 0.000 0.818 523 A HN 0.182 nan 8.150 nan 0.000 0.443 524 E N -0.810 119.381 120.200 -0.015 0.000 2.110 524 E HA -0.177 4.173 4.350 0.001 0.000 0.193 524 E C 1.912 178.485 176.600 -0.046 0.000 0.988 524 E CA 1.099 57.490 56.400 -0.014 0.000 0.804 524 E CB -0.230 29.469 29.700 -0.002 0.000 0.745 524 E HN 0.485 nan 8.360 nan 0.000 0.458 525 L N 1.779 122.966 121.223 -0.059 0.000 2.017 525 L HA -0.183 4.157 4.340 0.001 0.000 0.208 525 L C 2.208 179.000 176.870 -0.129 0.000 1.073 525 L CA 1.872 56.653 54.840 -0.098 0.000 0.745 525 L CB -0.354 41.656 42.059 -0.082 0.000 0.894 525 L HN -0.091 nan 8.230 nan 0.000 0.432 526 K N -0.771 119.580 120.400 -0.082 0.000 2.009 526 K HA -0.197 4.123 4.320 0.001 0.000 0.210 526 K C 2.007 178.556 176.600 -0.085 0.000 1.049 526 K CA 1.554 57.800 56.287 -0.068 0.000 0.929 526 K CB -0.313 32.180 32.500 -0.012 0.000 0.714 526 K HN 0.426 nan 8.250 nan 0.000 0.440 527 A N 1.069 123.852 122.820 -0.061 0.000 1.883 527 A HA -0.156 4.164 4.320 0.001 0.000 0.217 527 A C 2.359 179.869 177.584 -0.123 0.000 1.186 527 A CA 2.151 54.159 52.037 -0.049 0.000 0.624 527 A CB -0.993 18.002 19.000 -0.009 0.000 0.822 527 A HN 0.526 nan 8.150 nan 0.000 0.444 528 A N -0.716 121.977 122.820 -0.211 0.000 1.883 528 A HA -0.064 4.256 4.320 0.001 0.000 0.217 528 A C 2.169 179.384 177.584 -0.615 0.000 1.186 528 A CA 1.856 53.573 52.037 -0.534 0.000 0.624 528 A CB -0.649 18.018 19.000 -0.555 0.000 0.822 528 A HN 0.685 nan 8.150 nan 0.000 0.444 529 L N 0.022 120.974 121.223 -0.451 0.000 2.027 529 L HA -0.122 4.218 4.340 0.001 0.000 0.206 529 L C 2.230 178.783 176.870 -0.528 0.000 1.074 529 L CA 2.363 56.890 54.840 -0.523 0.000 0.745 529 L CB -0.733 40.981 42.059 -0.575 0.000 0.898 529 L HN 0.526 nan 8.230 nan 0.000 0.433 530 E N -0.502 119.501 120.200 -0.328 0.000 2.058 530 E HA -0.267 4.084 4.350 0.001 0.000 0.194 530 E C 2.043 178.637 176.600 -0.010 0.000 0.997 530 E CA 1.759 58.140 56.400 -0.033 0.000 0.801 530 E CB -0.128 29.626 29.700 0.089 0.000 0.746 530 E HN 0.624 nan 8.360 nan 0.000 0.450 531 E N 0.460 120.620 120.200 -0.066 0.000 2.072 531 E HA -0.152 4.198 4.350 0.001 0.000 0.191 531 E C 2.058 178.658 176.600 0.000 0.000 0.985 531 E CA 0.830 57.229 56.400 -0.002 0.000 0.801 531 E CB -0.093 29.632 29.700 0.041 0.000 0.750 531 E HN 0.221 nan 8.360 nan 0.000 0.452 532 A N 0.886 123.630 122.820 -0.127 0.000 1.858 532 A HA -0.165 4.155 4.320 0.001 0.000 0.216 532 A C 2.506 180.080 177.584 -0.016 0.000 1.190 532 A CA 1.381 53.373 52.037 -0.075 0.000 0.617 532 A CB -0.772 18.082 19.000 -0.244 0.000 0.827 532 A HN 0.126 nan 8.150 nan 0.000 0.443 533 V N -0.235 119.649 119.914 -0.050 0.000 2.358 533 V HA -0.204 3.917 4.120 0.001 0.000 0.246 533 V C 3.012 179.169 176.094 0.105 0.000 1.047 533 V CA 1.896 64.229 62.300 0.055 0.000 1.035 533 V CB -1.161 30.759 31.823 0.161 0.000 0.658 533 V HN 0.615 nan 8.190 nan 0.000 0.452 534 A N 0.676 123.560 122.820 0.106 0.000 1.969 534 A HA -0.165 4.155 4.320 0.001 0.000 0.218 534 A C 2.518 180.149 177.584 0.078 0.000 1.169 534 A CA 1.844 53.940 52.037 0.098 0.000 0.635 534 A CB -0.651 18.406 19.000 0.095 0.000 0.810 534 A HN 0.680 nan 8.150 nan 0.000 0.445 535 S N -1.109 114.637 115.700 0.076 0.000 2.419 535 S HA 0.183 4.653 4.470 0.001 0.000 0.233 535 S C 1.682 176.325 174.600 0.073 0.000 1.016 535 S CA 1.418 59.664 58.200 0.077 0.000 0.974 535 S CB -0.904 62.352 63.200 0.093 0.000 0.786 535 S HN 1.983 nan 8.310 nan 0.000 0.492 536 G N 0.922 109.767 108.800 0.075 0.000 2.153 536 G HA2 -0.263 3.698 3.960 0.001 0.000 0.252 536 G HA3 -0.263 3.698 3.960 0.001 0.000 0.252 536 G C -0.044 174.903 174.900 0.078 0.000 0.994 536 G CA 0.672 45.817 45.100 0.075 0.000 0.698 536 G HN 0.657 nan 8.290 nan 0.000 0.521 537 K N -0.036 120.414 120.400 0.083 0.000 2.306 537 K HA 0.544 4.864 4.320 0.001 0.000 0.236 537 K C -2.825 173.832 176.600 0.095 0.000 1.013 537 K CA -2.323 54.016 56.287 0.087 0.000 0.857 537 K CB 2.009 34.558 32.500 0.082 0.000 1.214 537 K HN -0.108 nan 8.250 nan 0.000 0.449 538 P HA 0.124 nan 4.420 nan 0.000 0.271 538 P C -0.959 176.413 177.300 0.120 0.000 1.233 538 P CA -0.270 62.894 63.100 0.108 0.000 0.764 538 P CB 0.291 32.058 31.700 0.112 0.000 0.825 539 C N 3.785 123.160 119.300 0.124 0.000 2.898 539 C HA 0.706 5.166 4.460 0.001 0.000 0.304 539 C C -0.419 174.649 174.990 0.130 0.000 1.237 539 C CA -0.588 58.530 59.018 0.167 0.000 1.529 539 C CB 1.473 29.337 27.740 0.206 0.000 2.021 539 C HN 0.522 nan 8.230 nan 0.000 0.474 540 L N 2.525 123.845 121.223 0.162 0.000 2.438 540 L HA 0.713 5.053 4.340 0.001 0.000 0.270 540 L C -1.334 175.615 176.870 0.132 0.000 0.972 540 L CA -0.330 54.561 54.840 0.085 0.000 0.831 540 L CB 0.916 43.005 42.059 0.050 0.000 1.273 540 L HN 0.685 nan 8.230 nan 0.000 0.405 541 I N 4.258 124.841 120.570 0.023 0.000 2.330 541 I HA 0.282 4.453 4.170 0.001 0.000 0.289 541 I C -0.246 175.853 176.117 -0.031 0.000 1.001 541 I CA -0.468 60.837 61.300 0.009 0.000 1.193 541 I CB 1.317 39.241 38.000 -0.126 0.000 1.345 541 I HN 0.549 nan 8.210 nan 0.000 0.461 542 N N 6.044 124.754 118.700 0.016 0.000 2.482 542 N HA 0.319 5.059 4.740 0.001 0.000 0.242 542 N C -0.479 175.025 175.510 -0.011 0.000 1.100 542 N CA -0.174 52.880 53.050 0.006 0.000 0.946 542 N CB 0.882 39.410 38.487 0.068 0.000 1.227 542 N HN 0.677 nan 8.380 nan 0.000 0.508 543 A N 4.360 127.149 122.820 -0.052 0.000 2.269 543 A HA 0.401 4.721 4.320 0.001 0.000 0.302 543 A C 0.109 177.655 177.584 -0.063 0.000 1.266 543 A CA -0.584 51.416 52.037 -0.062 0.000 0.894 543 A CB 0.055 19.002 19.000 -0.088 0.000 1.147 543 A HN 0.550 nan 8.150 nan 0.000 0.537 544 M N 4.214 123.784 119.600 -0.049 0.000 2.156 544 M HA 0.292 4.773 4.480 0.001 0.000 0.345 544 M C -0.454 175.798 176.300 -0.080 0.000 1.398 544 M CA -0.260 55.013 55.300 -0.045 0.000 1.148 544 M CB -0.370 32.215 32.600 -0.024 0.000 1.663 544 M HN 0.365 nan 8.290 nan 0.000 0.464 545 I N 2.071 122.578 120.570 -0.106 0.000 2.412 545 I HA 0.210 4.380 4.170 0.001 0.000 0.296 545 I C 0.440 176.493 176.117 -0.105 0.000 0.987 545 I CA -0.860 60.336 61.300 -0.174 0.000 1.180 545 I CB 1.378 39.173 38.000 -0.341 0.000 1.340 545 I HN 0.507 nan 8.210 nan 0.000 0.455 546 D N 8.075 128.419 120.400 -0.092 0.000 2.581 546 D HA -0.017 4.624 4.640 0.001 0.000 0.238 546 D C -1.641 174.658 176.300 -0.001 0.000 1.145 546 D CA -1.044 52.937 54.000 -0.032 0.000 0.866 546 D CB 1.265 42.056 40.800 -0.015 0.000 1.151 546 D HN 0.218 nan 8.370 nan 0.000 0.500 547 P HA -0.110 nan 4.420 nan 0.000 0.219 547 P C 0.558 177.901 177.300 0.072 0.000 1.146 547 P CA 0.911 64.038 63.100 0.046 0.000 0.808 547 P CB 0.302 32.024 31.700 0.037 0.000 0.779 548 D N -1.764 118.674 120.400 0.063 0.000 2.339 548 D HA 0.131 4.771 4.640 0.001 0.000 0.217 548 D C 1.767 178.126 176.300 0.098 0.000 1.050 548 D CA 0.148 54.192 54.000 0.073 0.000 0.856 548 D CB -0.296 40.534 40.800 0.050 0.000 0.922 548 D HN -0.075 nan 8.370 nan 0.000 0.518 549 A N -0.089 122.806 122.820 0.126 0.000 1.898 549 A HA 0.222 4.542 4.320 0.001 0.000 0.216 549 A C 1.630 179.376 177.584 0.270 0.000 1.181 549 A CA 1.137 53.285 52.037 0.184 0.000 0.620 549 A CB -0.803 18.289 19.000 0.153 0.000 0.819 549 A HN 0.286 nan 8.150 nan 0.000 0.442 550 G N -0.945 108.060 108.800 0.342 0.000 2.572 550 G HA2 0.469 4.430 3.960 0.001 0.000 0.261 550 G HA3 0.469 4.430 3.960 0.001 0.000 0.261 550 G C -0.013 174.936 174.900 0.082 0.000 1.197 550 G CA 0.318 45.528 45.100 0.184 0.000 0.870 550 G HN 1.088 nan 8.290 nan 0.000 0.548 551 V N -1.169 118.739 119.914 -0.010 0.000 2.881 551 V HA 0.686 4.806 4.120 0.001 0.000 0.316 551 V C 0.064 176.080 176.094 -0.131 0.000 1.070 551 V CA -1.324 60.950 62.300 -0.042 0.000 0.976 551 V CB 1.774 33.556 31.823 -0.068 0.000 1.038 551 V HN 0.753 nan 8.190 nan 0.000 0.446 552 E N 2.102 122.183 120.200 -0.199 0.000 2.498 552 E HA 0.235 4.586 4.350 0.001 0.000 0.252 552 E C 0.722 176.868 176.600 -0.756 0.000 1.025 552 E CA 1.307 57.391 56.400 -0.527 0.000 0.938 552 E CB -0.125 29.410 29.700 -0.276 0.000 0.947 552 E HN 1.132 nan 8.360 nan 0.000 0.478 553 S N 2.320 117.118 115.700 -1.503 0.000 3.270 553 S HA -0.267 4.203 4.470 0.001 0.000 0.293 553 S C 1.033 175.472 174.600 -0.268 0.000 1.278 553 S CA 0.633 58.390 58.200 -0.738 0.000 1.038 553 S CB -2.334 60.619 63.200 -0.412 0.000 1.218 553 S HN 1.339 nan 8.310 nan 0.000 0.659 554 G N 2.252 110.909 108.800 -0.238 0.000 2.651 554 G HA2 -0.442 3.518 3.960 0.001 0.000 0.315 554 G HA3 -0.442 3.518 3.960 0.001 0.000 0.315 554 G C 0.594 175.427 174.900 -0.112 0.000 1.258 554 G CA 0.753 45.766 45.100 -0.144 0.000 1.002 554 G HN 0.440 nan 8.290 nan 0.000 0.551 555 R N 0.760 121.218 120.500 -0.069 0.000 2.148 555 R HA -0.011 4.329 4.340 0.001 0.000 0.227 555 R C 2.289 178.577 176.300 -0.019 0.000 1.103 555 R CA 1.566 57.641 56.100 -0.042 0.000 0.983 555 R CB -0.670 29.612 30.300 -0.029 0.000 0.874 555 R HN 0.890 nan 8.270 nan 0.000 0.451 556 I N -0.292 120.276 120.570 -0.004 0.000 3.764 556 I HA 0.150 4.320 4.170 0.001 0.000 0.336 556 I C 1.109 177.207 176.117 -0.031 0.000 1.465 556 I CA -0.282 61.036 61.300 0.031 0.000 1.221 556 I CB 0.173 38.251 38.000 0.130 0.000 1.348 556 I HN -0.117 nan 8.210 nan 0.000 0.432 557 K N 0.719 121.077 120.400 -0.071 0.000 2.167 557 K HA -0.042 4.278 4.320 0.001 0.000 0.203 557 K C 1.850 178.413 176.600 -0.062 0.000 1.052 557 K CA 1.498 57.719 56.287 -0.110 0.000 0.956 557 K CB -0.424 31.995 32.500 -0.134 0.000 0.735 557 K HN 0.472 nan 8.250 nan 0.000 0.451 558 S N 1.333 117.016 115.700 -0.029 0.000 2.469 558 S HA -0.029 4.442 4.470 0.001 0.000 0.238 558 S C 1.767 176.369 174.600 0.004 0.000 0.998 558 S CA 0.699 58.895 58.200 -0.008 0.000 0.957 558 S CB -0.639 62.565 63.200 0.006 0.000 0.764 558 S HN 0.336 nan 8.310 nan 0.000 0.514 559 L N 1.080 122.307 121.223 0.006 0.000 2.610 559 L HA 0.131 4.471 4.340 0.001 0.000 0.232 559 L C 0.683 177.545 176.870 -0.012 0.000 1.149 559 L CA 0.012 54.858 54.840 0.010 0.000 0.872 559 L CB -0.779 41.292 42.059 0.020 0.000 0.992 559 L HN 0.301 nan 8.230 nan 0.000 0.447 560 N N 0.601 119.287 118.700 -0.023 0.000 2.508 560 N HA 0.117 4.858 4.740 0.001 0.000 0.264 560 N C -0.415 175.089 175.510 -0.011 0.000 1.216 560 N CA 0.030 53.068 53.050 -0.021 0.000 0.943 560 N CB 2.196 40.664 38.487 -0.032 0.000 1.113 560 N HN -0.185 nan 8.380 nan 0.000 0.447 561 V N 2.598 122.508 119.914 -0.007 0.000 2.383 561 V HA 0.311 4.431 4.120 0.001 0.000 0.275 561 V C 0.373 176.467 176.094 0.000 0.000 1.036 561 V CA -0.573 61.725 62.300 -0.004 0.000 0.889 561 V CB 1.393 33.212 31.823 -0.006 0.000 0.985 561 V HN 0.273 nan 8.190 nan 0.000 0.459 562 V N 3.313 123.227 119.914 0.001 0.000 2.769 562 V HA 0.487 4.608 4.120 0.001 0.000 0.312 562 V C 0.255 176.351 176.094 0.003 0.000 1.061 562 V CA -0.537 61.764 62.300 0.003 0.000 0.931 562 V CB 2.261 34.085 31.823 0.001 0.000 1.010 562 V HN 0.839 nan 8.190 nan 0.000 0.433 563 S N 1.814 117.517 115.700 0.005 0.000 2.580 563 S HA 0.396 4.867 4.470 0.001 0.000 0.274 563 S C 0.435 175.037 174.600 0.004 0.000 1.329 563 S CA -0.290 57.913 58.200 0.004 0.000 1.036 563 S CB 0.515 63.718 63.200 0.005 0.000 0.919 563 S HN 0.772 nan 8.310 nan 0.000 0.515 564 K N 2.109 122.511 120.400 0.003 0.000 2.533 564 K HA 0.356 4.676 4.320 0.001 0.000 0.202 564 K C -0.946 175.656 176.600 0.003 0.000 1.096 564 K CA -0.117 56.172 56.287 0.003 0.000 1.056 564 K CB 1.031 33.533 32.500 0.003 0.000 0.890 564 K HN 0.351 nan 8.250 nan 0.000 0.552 565 V N 0.000 119.916 119.914 0.003 0.000 2.409 565 V HA 0.000 4.120 4.120 0.001 0.000 0.244 565 V CA 0.000 62.301 62.300 0.002 0.000 1.235 565 V CB 0.000 31.824 31.823 0.002 0.000 1.184 565 V HN 0.000 nan 8.190 nan 0.000 0.556