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 1l0n_1_B DATA FIRST_RESID 17 DATA SEQUENCE VPPHPQDLEF TRLPNGLVIA SLENYAPASR IGLFIKAGSR YENSNNLGTS DATA SEQUENCE HLLRLASSLT TKGASSFKIT RGIEAVGGKL SVTSTRENMA YTVECLRDDV DATA SEQUENCE DILMEFLLNV TTAPEFRRWE VAALQPQLRI DKAVALQNPQ AHVIENLHAA DATA SEQUENCE AYRNALANSL YCPDYRIGKV TPVELHDYVQ NHFTSARMAL IGLGVSHPVL DATA SEQUENCE KQVAEQFLNI RGGLGLSGAK AKYHGGEIRE QNGDSLVHAA LVAESAAIGS DATA SEQUENCE AEANAFSVLQ HVLGAGPHVK RGSNATSSLY QAVAKGVHQP FDVSAFNASY DATA SEQUENCE SDSGLFGFYT ISQAASAGDV IKAAYNQVKT IAQGNLSNPD VQAAKNKLKA DATA SEQUENCE GYLMSVESSE GFLDEVGSQA LAAGSYTPPS TVLQQIDAVA DADVINAAKK DATA SEQUENCE FVSGRKSMAA SGNLGHTPFI DEL 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.090 176.094 -0.006 0.000 1.182 17 V CA 0.000 62.301 62.300 0.002 0.000 1.235 17 V CB 0.000 31.825 31.823 0.003 0.000 1.184 18 P HA 0.778 nan 4.420 nan 0.000 0.281 18 P C -2.664 174.619 177.300 -0.029 0.000 1.249 18 P CA -1.075 62.016 63.100 -0.014 0.000 0.810 18 P CB 0.197 31.895 31.700 -0.003 0.000 1.008 19 P HA 0.139 nan 4.420 nan 0.000 0.271 19 P C -0.621 176.605 177.300 -0.123 0.000 1.216 19 P CA -0.284 62.705 63.100 -0.185 0.000 0.776 19 P CB 0.014 31.591 31.700 -0.205 0.000 0.881 20 H N 1.164 120.241 119.070 0.011 0.000 2.928 20 H HA 0.201 4.757 4.556 -0.000 0.000 0.338 20 H C -1.814 173.544 175.328 0.051 0.000 1.047 20 H CA -1.439 54.623 56.048 0.023 0.000 1.435 20 H CB -1.027 28.746 29.762 0.018 0.000 1.428 20 H HN 0.323 nan 8.280 nan 0.000 0.590 21 P HA 0.062 nan 4.420 nan 0.000 0.335 21 P C -0.347 177.026 177.300 0.122 0.000 1.416 21 P CA -0.092 63.064 63.100 0.093 0.000 0.828 21 P CB 0.468 32.201 31.700 0.055 0.000 1.966 22 Q N -1.505 118.338 119.800 0.072 0.000 2.578 22 Q HA 0.326 4.666 4.340 -0.000 0.000 0.284 22 Q C -1.617 174.407 176.000 0.040 0.000 0.960 22 Q CA -0.506 55.334 55.803 0.063 0.000 0.809 22 Q CB 1.565 30.314 28.738 0.018 0.000 1.462 22 Q HN 0.296 nan 8.270 nan 0.000 0.392 23 D N 0.844 121.272 120.400 0.047 0.000 2.268 23 D HA 0.414 5.054 4.640 -0.000 0.000 0.249 23 D C -0.196 176.134 176.300 0.051 0.000 1.008 23 D CA -0.594 53.444 54.000 0.063 0.000 0.939 23 D CB 1.238 42.082 40.800 0.074 0.000 1.170 23 D HN 0.369 nan 8.370 nan 0.000 0.468 24 L N 0.624 121.893 121.223 0.077 0.000 2.416 24 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 24 L C -0.103 176.808 176.870 0.069 0.000 1.161 24 L CA -0.136 54.734 54.840 0.050 0.000 0.845 24 L CB 0.318 42.343 42.059 -0.056 0.000 1.119 24 L HN 0.214 nan 8.230 nan 0.000 0.464 25 E N 5.219 125.447 120.200 0.047 0.000 2.175 25 E HA 0.279 4.629 4.350 -0.000 0.000 0.278 25 E C -1.446 175.212 176.600 0.097 0.000 0.969 25 E CA -0.424 55.936 56.400 -0.067 0.000 0.796 25 E CB 2.206 31.665 29.700 -0.401 0.000 1.104 25 E HN 0.457 nan 8.360 nan 0.000 0.395 26 F N 1.150 121.072 119.950 -0.046 0.000 2.532 26 F HA 0.419 4.946 4.527 -0.000 0.000 0.321 26 F C -0.737 175.119 175.800 0.093 0.000 1.089 26 F CA -0.229 57.824 58.000 0.087 0.000 0.926 26 F CB 2.246 41.294 39.000 0.082 0.000 1.168 26 F HN 0.200 nan 8.300 nan 0.000 0.459 27 T N 5.211 119.667 114.554 -0.163 0.000 3.237 27 T HA 0.343 4.693 4.350 -0.000 0.000 0.319 27 T C -1.048 173.560 174.700 -0.154 0.000 1.037 27 T CA -0.777 61.324 62.100 0.001 0.000 1.048 27 T CB 1.203 70.166 68.868 0.159 0.000 1.081 27 T HN 0.471 nan 8.240 nan 0.000 0.455 28 R N 2.928 123.429 120.500 0.003 0.000 2.254 28 R HA 0.531 4.871 4.340 -0.000 0.000 0.318 28 R C -0.143 176.158 176.300 0.003 0.000 1.031 28 R CA -0.652 55.447 56.100 -0.002 0.000 0.905 28 R CB 1.171 31.526 30.300 0.092 0.000 1.050 28 R HN 0.477 nan 8.270 nan 0.000 0.456 29 L N 4.562 125.772 121.223 -0.021 0.000 2.439 29 L HA 0.219 4.559 4.340 -0.000 0.000 0.261 29 L C -0.906 175.965 176.870 0.002 0.000 1.153 29 L CA -1.843 52.991 54.840 -0.010 0.000 0.808 29 L CB 0.696 42.740 42.059 -0.025 0.000 1.126 29 L HN 0.382 nan 8.230 nan 0.000 0.460 30 P HA -0.134 nan 4.420 nan 0.000 0.222 30 P C 0.463 177.766 177.300 0.004 0.000 1.147 30 P CA 1.112 64.216 63.100 0.008 0.000 0.790 30 P CB -0.148 31.555 31.700 0.005 0.000 0.780 31 N N -0.645 118.054 118.700 -0.002 0.000 2.461 31 N HA 0.061 4.801 4.740 -0.000 0.000 0.188 31 N C 1.361 176.871 175.510 -0.000 0.000 1.134 31 N CA 0.879 53.927 53.050 -0.003 0.000 0.878 31 N CB -0.950 37.532 38.487 -0.008 0.000 0.972 31 N HN 0.230 nan 8.380 nan 0.000 0.456 32 G N -0.703 108.099 108.800 0.003 0.000 2.213 32 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.236 32 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.236 32 G C -0.175 174.725 174.900 0.000 0.000 0.991 32 G CA 0.155 45.261 45.100 0.009 0.000 0.629 32 G HN 0.484 nan 8.290 nan 0.000 0.517 33 L N 1.449 122.663 121.223 -0.014 0.000 2.483 33 L HA 0.605 4.945 4.340 -0.000 0.000 0.276 33 L C 0.517 177.350 176.870 -0.062 0.000 1.213 33 L CA 0.031 54.853 54.840 -0.030 0.000 0.843 33 L CB 1.222 43.261 42.059 -0.033 0.000 1.107 33 L HN 0.114 nan 8.230 nan 0.000 0.487 34 V N 5.781 125.636 119.914 -0.097 0.000 2.715 34 V HA 0.512 4.632 4.120 -0.000 0.000 0.310 34 V C -0.214 175.718 176.094 -0.271 0.000 1.054 34 V CA -0.518 61.647 62.300 -0.224 0.000 0.928 34 V CB 1.920 33.622 31.823 -0.201 0.000 1.007 34 V HN 0.597 nan 8.190 nan 0.000 0.437 35 I N 3.355 123.685 120.570 -0.400 0.000 2.499 35 I HA 0.792 4.962 4.170 -0.000 0.000 0.288 35 I C -0.207 175.714 176.117 -0.327 0.000 1.048 35 I CA -0.500 60.613 61.300 -0.311 0.000 1.062 35 I CB 2.013 39.836 38.000 -0.294 0.000 1.238 35 I HN 0.669 nan 8.210 nan 0.000 0.426 36 A N 4.364 127.069 122.820 -0.193 0.000 2.398 36 A HA 0.894 5.214 4.320 -0.000 0.000 0.301 36 A C -0.644 176.959 177.584 0.032 0.000 1.041 36 A CA -0.489 51.528 52.037 -0.034 0.000 0.711 36 A CB 1.665 20.658 19.000 -0.013 0.000 1.240 36 A HN 0.690 nan 8.150 nan 0.000 0.420 37 S N 1.888 117.670 115.700 0.137 0.000 2.546 37 S HA 0.784 5.254 4.470 -0.000 0.000 0.274 37 S C -1.209 173.449 174.600 0.097 0.000 1.121 37 S CA -0.649 57.616 58.200 0.109 0.000 0.887 37 S CB 1.435 64.707 63.200 0.121 0.000 1.094 37 S HN 1.062 nan 8.310 nan 0.000 0.474 38 L N 1.658 122.918 121.223 0.061 0.000 2.362 38 L HA 0.648 4.988 4.340 -0.000 0.000 0.275 38 L C -0.993 175.830 176.870 -0.078 0.000 0.998 38 L CA -0.463 54.376 54.840 -0.003 0.000 0.820 38 L CB 1.887 43.934 42.059 -0.020 0.000 1.270 38 L HN 0.943 nan 8.230 nan 0.000 0.415 39 E N 4.812 124.925 120.200 -0.146 0.000 1.998 39 E HA 0.170 4.519 4.350 -0.000 0.000 0.257 39 E C -0.867 175.482 176.600 -0.419 0.000 1.038 39 E CA -0.395 55.827 56.400 -0.298 0.000 0.869 39 E CB 0.177 29.665 29.700 -0.353 0.000 1.135 39 E HN 0.582 nan 8.360 nan 0.000 0.430 40 N N 2.794 121.312 118.700 -0.303 0.000 2.434 40 N HA 0.073 4.813 4.740 -0.000 0.000 0.272 40 N C -0.538 174.823 175.510 -0.247 0.000 1.040 40 N CA -0.659 52.253 53.050 -0.230 0.000 0.956 40 N CB 0.600 38.993 38.487 -0.156 0.000 1.108 40 N HN 0.246 nan 8.380 nan 0.000 0.481 41 Y N 1.317 121.590 120.300 -0.045 0.000 3.180 41 Y HA 0.120 4.670 4.550 -0.000 0.000 0.386 41 Y C 1.046 176.927 175.900 -0.031 0.000 1.054 41 Y CA -0.512 57.567 58.100 -0.035 0.000 2.020 41 Y CB -0.750 37.685 38.460 -0.042 0.000 2.171 41 Y HN 0.626 nan 8.280 nan 0.000 0.415 42 A N 0.935 123.772 122.820 0.028 0.000 2.322 42 A HA 0.332 4.652 4.320 -0.000 0.000 0.269 42 A C -1.363 176.235 177.584 0.024 0.000 1.094 42 A CA -1.428 50.620 52.037 0.017 0.000 0.807 42 A CB 0.536 19.528 19.000 -0.013 0.000 1.047 42 A HN 0.263 nan 8.150 nan 0.000 0.487 43 P HA 0.023 nan 4.420 nan 0.000 0.220 43 P C 0.380 177.689 177.300 0.015 0.000 1.148 43 P CA 1.740 64.852 63.100 0.020 0.000 0.803 43 P CB 0.199 31.908 31.700 0.015 0.000 0.782 44 A N -1.508 121.319 122.820 0.011 0.000 2.313 44 A HA 0.700 5.019 4.320 -0.000 0.000 0.323 44 A C -0.047 177.542 177.584 0.008 0.000 1.133 44 A CA -0.284 51.760 52.037 0.011 0.000 0.847 44 A CB 1.050 20.057 19.000 0.013 0.000 1.308 44 A HN -0.087 nan 8.150 nan 0.000 0.475 45 S N -0.745 114.963 115.700 0.013 0.000 2.599 45 S HA 0.755 5.225 4.470 -0.000 0.000 0.294 45 S C -0.645 173.972 174.600 0.028 0.000 1.094 45 S CA -0.623 57.586 58.200 0.015 0.000 0.931 45 S CB 1.523 64.730 63.200 0.011 0.000 1.093 45 S HN 0.598 nan 8.310 nan 0.000 0.488 46 R N 1.538 122.060 120.500 0.038 0.000 2.533 46 R HA 0.535 4.875 4.340 -0.000 0.000 0.288 46 R C -1.705 174.635 176.300 0.067 0.000 1.039 46 R CA -0.483 55.651 56.100 0.056 0.000 0.909 46 R CB 1.248 31.593 30.300 0.074 0.000 1.195 46 R HN 0.456 nan 8.270 nan 0.000 0.438 47 I N 1.871 122.481 120.570 0.066 0.000 2.533 47 I HA 0.474 4.644 4.170 -0.000 0.000 0.290 47 I C 0.109 176.275 176.117 0.082 0.000 1.056 47 I CA -0.603 60.741 61.300 0.072 0.000 1.057 47 I CB 1.920 39.948 38.000 0.047 0.000 1.240 47 I HN 0.729 nan 8.210 nan 0.000 0.423 48 G N 5.472 114.351 108.800 0.131 0.000 2.617 48 G HA2 0.595 4.555 3.960 -0.000 0.000 0.306 48 G HA3 0.595 4.555 3.960 -0.000 0.000 0.306 48 G C -1.849 173.107 174.900 0.093 0.000 1.360 48 G CA -0.447 44.690 45.100 0.061 0.000 0.983 48 G HN 0.357 nan 8.290 nan 0.000 0.496 49 L N 2.373 123.571 121.223 -0.042 0.000 2.277 49 L HA 0.669 5.009 4.340 -0.000 0.000 0.284 49 L C -1.253 175.560 176.870 -0.094 0.000 1.028 49 L CA -1.232 53.621 54.840 0.023 0.000 0.835 49 L CB 0.160 42.220 42.059 0.001 0.000 1.215 49 L HN 0.321 nan 8.230 nan 0.000 0.425 50 F N 6.086 126.035 119.950 -0.002 0.000 2.411 50 F HA 0.523 5.050 4.527 -0.000 0.000 0.350 50 F C 0.264 176.026 175.800 -0.063 0.000 1.114 50 F CA -0.226 57.764 58.000 -0.016 0.000 1.135 50 F CB 0.794 39.788 39.000 -0.010 0.000 1.120 50 F HN 0.257 nan 8.300 nan 0.000 0.495 51 I N 3.489 124.051 120.570 -0.012 0.000 2.498 51 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 51 I C -0.388 175.681 176.117 -0.080 0.000 1.032 51 I CA -1.071 60.144 61.300 -0.141 0.000 1.073 51 I CB 1.965 39.684 38.000 -0.468 0.000 1.251 51 I HN 0.379 nan 8.210 nan 0.000 0.426 52 K N 5.282 125.645 120.400 -0.062 0.000 2.166 52 K HA 0.400 4.720 4.320 -0.000 0.000 0.273 52 K C 0.371 176.891 176.600 -0.135 0.000 1.095 52 K CA 0.025 56.299 56.287 -0.020 0.000 0.985 52 K CB 0.491 32.955 32.500 -0.059 0.000 1.172 52 K HN 0.810 nan 8.250 nan 0.000 0.401 53 A N 2.274 125.104 122.820 0.017 0.000 2.699 53 A HA 0.192 4.512 4.320 -0.000 0.000 0.242 53 A C 0.797 178.542 177.584 0.268 0.000 1.142 53 A CA -0.210 51.846 52.037 0.032 0.000 1.008 53 A CB 0.384 19.444 19.000 0.099 0.000 1.232 53 A HN 0.657 nan 8.150 nan 0.000 0.574 54 G N 0.436 109.378 108.800 0.237 0.000 2.846 54 G HA2 0.238 4.198 3.960 -0.000 0.000 0.257 54 G HA3 0.238 4.198 3.960 -0.000 0.000 0.257 54 G C 1.298 176.246 174.900 0.080 0.000 1.253 54 G CA 0.520 45.679 45.100 0.100 0.000 0.918 54 G HN 1.026 nan 8.290 nan 0.000 0.597 55 S N -0.586 115.076 115.700 -0.063 0.000 2.440 55 S HA -0.217 4.253 4.470 -0.000 0.000 0.238 55 S C 2.053 176.567 174.600 -0.143 0.000 1.010 55 S CA 1.426 59.569 58.200 -0.096 0.000 0.972 55 S CB -0.310 62.784 63.200 -0.177 0.000 0.774 55 S HN 0.849 nan 8.310 nan 0.000 0.501 56 R N 0.151 120.476 120.500 -0.292 0.000 2.293 56 R HA -0.040 4.300 4.340 -0.000 0.000 0.219 56 R C 0.823 176.851 176.300 -0.454 0.000 1.091 56 R CA 1.165 57.001 56.100 -0.440 0.000 1.004 56 R CB -0.713 29.207 30.300 -0.632 0.000 0.865 56 R HN 0.573 nan 8.270 nan 0.000 0.469 57 Y N 1.241 121.493 120.300 -0.080 0.000 2.468 57 Y HA 0.269 4.819 4.550 -0.000 0.000 0.268 57 Y C 0.170 176.097 175.900 0.046 0.000 1.177 57 Y CA -0.552 57.493 58.100 -0.093 0.000 1.265 57 Y CB 0.277 38.509 38.460 -0.380 0.000 1.103 57 Y HN 0.104 nan 8.280 nan 0.000 0.522 58 E N 1.381 121.683 120.200 0.170 0.000 2.349 58 E HA 0.184 4.534 4.350 -0.000 0.000 0.262 58 E C -0.415 176.255 176.600 0.116 0.000 1.088 58 E CA -0.411 56.106 56.400 0.195 0.000 0.899 58 E CB 0.709 30.459 29.700 0.084 0.000 1.044 58 E HN 0.370 nan 8.360 nan 0.000 0.420 59 N N -1.834 116.935 118.700 0.116 0.000 3.167 59 N HA 0.139 4.879 4.740 -0.000 0.000 0.323 59 N C 0.031 175.584 175.510 0.072 0.000 1.478 59 N CA -0.713 52.385 53.050 0.080 0.000 0.753 59 N CB 0.507 39.045 38.487 0.086 0.000 1.721 59 N HN 0.150 nan 8.380 nan 0.000 0.618 60 S N -0.735 115.003 115.700 0.064 0.000 2.440 60 S HA -0.113 4.357 4.470 -0.000 0.000 0.238 60 S C 0.795 175.450 174.600 0.092 0.000 1.010 60 S CA 0.980 59.224 58.200 0.073 0.000 0.972 60 S CB -0.640 62.592 63.200 0.053 0.000 0.774 60 S HN 0.570 nan 8.310 nan 0.000 0.501 61 N N 2.041 120.789 118.700 0.080 0.000 2.373 61 N HA 0.027 4.767 4.740 -0.000 0.000 0.181 61 N C 0.439 175.992 175.510 0.072 0.000 1.082 61 N CA 0.428 53.526 53.050 0.080 0.000 0.885 61 N CB -0.029 38.497 38.487 0.064 0.000 0.977 61 N HN 0.633 nan 8.380 nan 0.000 0.462 62 N N 0.340 119.081 118.700 0.067 0.000 2.451 62 N HA 0.066 4.806 4.740 -0.000 0.000 0.271 62 N C -0.457 175.053 175.510 -0.000 0.000 1.410 62 N CA -0.201 52.870 53.050 0.035 0.000 0.884 62 N CB -0.463 38.062 38.487 0.064 0.000 1.332 62 N HN -0.020 nan 8.380 nan 0.000 0.498 63 L N 0.284 121.511 121.223 0.006 0.000 2.543 63 L HA 0.242 4.582 4.340 -0.000 0.000 0.285 63 L C 1.635 178.446 176.870 -0.098 0.000 1.236 63 L CA 1.415 56.237 54.840 -0.029 0.000 0.871 63 L CB 0.063 42.123 42.059 0.001 0.000 1.121 63 L HN 0.501 nan 8.230 nan 0.000 0.501 64 G N 1.015 109.756 108.800 -0.098 0.000 2.241 64 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.244 64 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.244 64 G C 0.881 175.694 174.900 -0.144 0.000 0.998 64 G CA 0.455 45.499 45.100 -0.094 0.000 0.621 64 G HN 0.622 nan 8.290 nan 0.000 0.519 65 T N 1.493 115.919 114.554 -0.214 0.000 2.849 65 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 65 T C 2.660 177.073 174.700 -0.478 0.000 1.066 65 T CA 2.539 64.438 62.100 -0.335 0.000 1.130 65 T CB -0.327 68.326 68.868 -0.359 0.000 0.864 65 T HN 1.206 nan 8.240 nan 0.000 0.481 66 S N 0.083 115.491 115.700 -0.488 0.000 2.496 66 S HA -0.024 4.446 4.470 -0.000 0.000 0.224 66 S C 1.687 176.197 174.600 -0.149 0.000 0.996 66 S CA 0.425 58.370 58.200 -0.424 0.000 0.927 66 S CB -0.522 62.494 63.200 -0.307 0.000 0.774 66 S HN 0.732 nan 8.310 nan 0.000 0.524 67 H N 0.625 119.560 119.070 -0.224 0.000 2.260 67 H HA 0.043 4.599 4.556 -0.000 0.000 0.304 67 H C 2.182 177.433 175.328 -0.128 0.000 1.059 67 H CA 1.166 57.121 56.048 -0.154 0.000 1.305 67 H CB -0.243 29.450 29.762 -0.115 0.000 1.388 67 H HN 0.308 nan 8.280 nan 0.000 0.496 68 L N 1.417 122.568 121.223 -0.120 0.000 2.103 68 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 68 L C 2.390 179.188 176.870 -0.121 0.000 1.080 68 L CA 1.352 56.073 54.840 -0.198 0.000 0.764 68 L CB -1.032 40.898 42.059 -0.215 0.000 0.890 68 L HN 0.457 nan 8.230 nan 0.000 0.435 69 L N -0.720 120.429 121.223 -0.123 0.000 2.017 69 L HA -0.266 4.074 4.340 -0.000 0.000 0.208 69 L C 2.806 179.716 176.870 0.067 0.000 1.073 69 L CA 1.892 56.709 54.840 -0.039 0.000 0.745 69 L CB -0.342 41.681 42.059 -0.059 0.000 0.894 69 L HN 0.384 nan 8.230 nan 0.000 0.432 70 R N 0.149 120.674 120.500 0.041 0.000 2.105 70 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 70 R C 1.995 178.313 176.300 0.030 0.000 1.135 70 R CA 1.453 57.568 56.100 0.024 0.000 0.967 70 R CB -0.268 30.040 30.300 0.014 0.000 0.861 70 R HN 0.426 nan 8.270 nan 0.000 0.442 71 L N 0.083 121.322 121.223 0.027 0.000 2.599 71 L HA 0.141 4.481 4.340 -0.000 0.000 0.230 71 L C 1.504 178.384 176.870 0.017 0.000 1.141 71 L CA 0.386 55.226 54.840 0.001 0.000 0.877 71 L CB 0.071 42.089 42.059 -0.070 0.000 1.009 71 L HN 0.257 nan 8.230 nan 0.000 0.447 72 A N -0.547 122.310 122.820 0.062 0.000 2.500 72 A HA 0.094 4.414 4.320 -0.000 0.000 0.267 72 A C 2.027 179.681 177.584 0.117 0.000 1.290 72 A CA 0.440 52.534 52.037 0.095 0.000 0.928 72 A CB -0.135 18.961 19.000 0.160 0.000 1.066 72 A HN 0.339 nan 8.150 nan 0.000 0.516 73 S N 0.240 116.017 115.700 0.128 0.000 2.465 73 S HA -0.130 4.340 4.470 -0.000 0.000 0.241 73 S C 1.493 176.129 174.600 0.060 0.000 1.000 73 S CA 1.660 59.959 58.200 0.165 0.000 0.964 73 S CB -0.440 62.871 63.200 0.186 0.000 0.763 73 S HN 1.053 nan 8.310 nan 0.000 0.512 74 S N 0.366 116.075 115.700 0.016 0.000 2.664 74 S HA 0.448 4.918 4.470 -0.000 0.000 0.245 74 S C 0.263 174.842 174.600 -0.035 0.000 1.019 74 S CA -0.891 57.289 58.200 -0.033 0.000 0.996 74 S CB -0.416 62.748 63.200 -0.059 0.000 0.878 74 S HN 0.448 nan 8.310 nan 0.000 0.493 75 L N 2.459 123.662 121.223 -0.033 0.000 2.476 75 L HA 0.327 4.667 4.340 -0.000 0.000 0.255 75 L C 1.028 177.848 176.870 -0.082 0.000 1.218 75 L CA -0.554 54.258 54.840 -0.048 0.000 0.819 75 L CB 0.153 42.184 42.059 -0.048 0.000 1.119 75 L HN 0.360 nan 8.230 nan 0.000 0.485 76 T N -1.480 113.031 114.554 -0.072 0.000 2.940 76 T HA 0.265 4.615 4.350 -0.000 0.000 0.309 76 T C 0.080 174.710 174.700 -0.117 0.000 1.056 76 T CA -0.670 61.395 62.100 -0.058 0.000 1.137 76 T CB 0.657 69.519 68.868 -0.011 0.000 0.976 76 T HN 0.786 nan 8.240 nan 0.000 0.547 77 T N -0.367 114.139 114.554 -0.080 0.000 2.930 77 T HA 0.530 4.880 4.350 -0.000 0.000 0.290 77 T C -0.473 174.194 174.700 -0.055 0.000 1.052 77 T CA -1.381 60.654 62.100 -0.107 0.000 1.017 77 T CB 1.113 69.925 68.868 -0.093 0.000 1.137 77 T HN 0.676 nan 8.240 nan 0.000 0.511 78 K N 0.746 121.110 120.400 -0.060 0.000 2.448 78 K HA 0.420 4.740 4.320 -0.000 0.000 0.278 78 K C 1.413 177.999 176.600 -0.023 0.000 1.009 78 K CA 0.649 56.918 56.287 -0.030 0.000 0.995 78 K CB 0.100 32.583 32.500 -0.028 0.000 0.917 78 K HN 1.101 nan 8.250 nan 0.000 0.481 79 G N 0.944 109.740 108.800 -0.007 0.000 2.253 79 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.251 79 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.251 79 G C -0.023 174.890 174.900 0.022 0.000 0.998 79 G CA 0.015 45.109 45.100 -0.010 0.000 0.621 79 G HN 0.963 nan 8.290 nan 0.000 0.524 80 A N -0.150 122.698 122.820 0.046 0.000 2.513 80 A HA 0.788 5.108 4.320 -0.000 0.000 0.285 80 A C 0.093 177.725 177.584 0.080 0.000 1.047 80 A CA 0.896 53.001 52.037 0.113 0.000 0.864 80 A CB 0.521 19.665 19.000 0.241 0.000 1.373 80 A HN 1.920 nan 8.150 nan 0.000 0.403 81 S N 1.489 117.246 115.700 0.095 0.000 2.600 81 S HA 0.402 4.872 4.470 -0.000 0.000 0.265 81 S C 1.471 176.114 174.600 0.072 0.000 1.325 81 S CA 0.386 58.639 58.200 0.088 0.000 1.002 81 S CB 1.388 64.663 63.200 0.126 0.000 0.921 81 S HN 1.533 nan 8.310 nan 0.000 0.554 82 S N 0.865 116.605 115.700 0.067 0.000 2.359 82 S HA -0.199 4.271 4.470 -0.000 0.000 0.222 82 S C 1.513 176.148 174.600 0.058 0.000 1.038 82 S CA 1.677 59.900 58.200 0.038 0.000 1.051 82 S CB -1.014 62.223 63.200 0.061 0.000 0.944 82 S HN 0.720 nan 8.310 nan 0.000 0.433 83 F N 2.291 122.229 119.950 -0.020 0.000 2.087 83 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 83 F C 2.344 178.120 175.800 -0.039 0.000 1.100 83 F CA 2.463 60.451 58.000 -0.021 0.000 1.226 83 F CB -0.497 38.504 39.000 0.002 0.000 0.983 83 F HN 0.238 nan 8.300 nan 0.000 0.479 84 K N 0.334 120.773 120.400 0.064 0.000 2.057 84 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 84 K C 2.154 178.602 176.600 -0.253 0.000 1.049 84 K CA 1.916 58.186 56.287 -0.030 0.000 0.931 84 K CB -0.324 32.272 32.500 0.160 0.000 0.714 84 K HN 0.399 nan 8.250 nan 0.000 0.440 85 I N 0.497 120.863 120.570 -0.340 0.000 2.142 85 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 85 I C 2.214 177.986 176.117 -0.575 0.000 1.078 85 I CA 1.490 62.355 61.300 -0.726 0.000 1.343 85 I CB -0.406 37.329 38.000 -0.442 0.000 1.046 85 I HN 0.234 nan 8.210 nan 0.000 0.405 86 T N 0.485 114.827 114.554 -0.352 0.000 2.674 86 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 86 T C 2.035 176.543 174.700 -0.320 0.000 1.039 86 T CA 1.131 63.060 62.100 -0.285 0.000 1.150 86 T CB -0.130 68.614 68.868 -0.207 0.000 0.864 86 T HN 0.169 nan 8.240 nan 0.000 0.427 87 R N 0.711 120.952 120.500 -0.432 0.000 2.115 87 R HA 0.113 4.453 4.340 -0.000 0.000 0.226 87 R C 2.710 178.867 176.300 -0.238 0.000 1.100 87 R CA 1.064 56.921 56.100 -0.405 0.000 0.980 87 R CB -1.218 28.666 30.300 -0.692 0.000 0.875 87 R HN 0.498 nan 8.270 nan 0.000 0.445 88 G N 0.858 109.528 108.800 -0.216 0.000 2.394 88 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.215 88 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.215 88 G C 1.620 176.523 174.900 0.006 0.000 1.165 88 G CA 0.159 45.258 45.100 -0.003 0.000 0.784 88 G HN 0.176 nan 8.290 nan 0.000 0.535 89 I N 0.664 121.132 120.570 -0.170 0.000 2.163 89 I HA -0.126 4.044 4.170 -0.000 0.000 0.240 89 I C 2.717 178.799 176.117 -0.059 0.000 1.081 89 I CA 1.171 62.418 61.300 -0.088 0.000 1.353 89 I CB -0.266 37.624 38.000 -0.184 0.000 1.054 89 I HN 0.226 nan 8.210 nan 0.000 0.407 90 E N 0.989 121.131 120.200 -0.098 0.000 2.209 90 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 90 E C 2.202 178.774 176.600 -0.046 0.000 0.993 90 E CA 1.165 57.523 56.400 -0.071 0.000 0.819 90 E CB -0.192 29.455 29.700 -0.088 0.000 0.745 90 E HN 0.532 nan 8.360 nan 0.000 0.477 91 A N 1.173 123.967 122.820 -0.042 0.000 2.066 91 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 91 A C 2.298 179.881 177.584 -0.000 0.000 1.157 91 A CA 1.177 53.203 52.037 -0.019 0.000 0.670 91 A CB -0.186 18.805 19.000 -0.015 0.000 0.804 91 A HN 0.214 nan 8.150 nan 0.000 0.453 92 V N -4.325 115.595 119.914 0.010 0.000 3.578 92 V HA 0.538 4.658 4.120 -0.000 0.000 0.290 92 V C 1.241 177.340 176.094 0.010 0.000 1.376 92 V CA 0.339 62.649 62.300 0.016 0.000 1.083 92 V CB -0.851 30.991 31.823 0.032 0.000 0.911 92 V HN 1.299 nan 8.190 nan 0.000 0.433 93 G N 0.103 108.903 108.800 -0.001 0.000 2.221 93 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.265 93 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.265 93 G C 0.483 175.383 174.900 -0.000 0.000 1.041 93 G CA 0.291 45.389 45.100 -0.004 0.000 0.807 93 G HN 1.266 nan 8.290 nan 0.000 0.502 94 G N -1.038 107.763 108.800 0.003 0.000 2.532 94 G HA2 0.709 4.669 3.960 -0.000 0.000 0.291 94 G HA3 0.709 4.669 3.960 -0.000 0.000 0.291 94 G C -0.090 174.808 174.900 -0.003 0.000 1.349 94 G CA -0.572 44.533 45.100 0.009 0.000 1.038 94 G HN 0.474 nan 8.290 nan 0.000 0.518 95 K N -1.351 119.051 120.400 0.003 0.000 2.443 95 K HA 0.628 4.948 4.320 -0.000 0.000 0.251 95 K C -1.772 174.828 176.600 -0.000 0.000 0.972 95 K CA -0.759 55.525 56.287 -0.007 0.000 0.833 95 K CB 2.551 35.050 32.500 -0.002 0.000 1.317 95 K HN 0.266 nan 8.250 nan 0.000 0.441 96 L N 1.017 122.234 121.223 -0.010 0.000 2.482 96 L HA 0.459 4.799 4.340 -0.000 0.000 0.269 96 L C -1.591 175.277 176.870 -0.004 0.000 0.967 96 L CA 0.083 54.927 54.840 0.006 0.000 0.851 96 L CB 1.719 43.773 42.059 -0.008 0.000 1.242 96 L HN 0.757 nan 8.230 nan 0.000 0.404 97 S N 3.423 119.116 115.700 -0.011 0.000 2.546 97 S HA 0.859 5.329 4.470 -0.000 0.000 0.274 97 S C -0.992 173.540 174.600 -0.114 0.000 1.121 97 S CA -0.545 57.625 58.200 -0.049 0.000 0.887 97 S CB 1.807 64.982 63.200 -0.042 0.000 1.094 97 S HN 1.188 nan 8.310 nan 0.000 0.474 98 V N 0.674 120.480 119.914 -0.181 0.000 2.588 98 V HA 0.911 5.031 4.120 -0.000 0.000 0.304 98 V C -0.591 175.345 176.094 -0.264 0.000 1.042 98 V CA 0.210 62.289 62.300 -0.370 0.000 0.877 98 V CB 1.411 32.875 31.823 -0.600 0.000 0.996 98 V HN 1.327 nan 8.190 nan 0.000 0.425 99 T N 3.883 118.274 114.554 -0.272 0.000 2.881 99 T HA 0.752 5.102 4.350 -0.000 0.000 0.290 99 T C -0.462 174.140 174.700 -0.163 0.000 1.000 99 T CA -0.216 61.783 62.100 -0.170 0.000 0.978 99 T CB 1.643 70.447 68.868 -0.107 0.000 0.997 99 T HN 0.997 nan 8.240 nan 0.000 0.443 100 S N 2.341 117.959 115.700 -0.137 0.000 2.600 100 S HA 0.916 5.386 4.470 -0.000 0.000 0.300 100 S C -0.143 174.393 174.600 -0.105 0.000 1.087 100 S CA -0.818 57.309 58.200 -0.122 0.000 0.965 100 S CB 1.885 64.996 63.200 -0.147 0.000 1.089 100 S HN 1.159 nan 8.310 nan 0.000 0.496 101 T N -1.591 112.918 114.554 -0.076 0.000 2.812 101 T HA 0.488 4.838 4.350 -0.000 0.000 0.294 101 T C 0.471 175.109 174.700 -0.103 0.000 1.159 101 T CA -1.030 61.032 62.100 -0.064 0.000 1.008 101 T CB 1.129 70.007 68.868 0.017 0.000 1.289 101 T HN 0.391 nan 8.240 nan 0.000 0.514 102 R N 0.163 120.571 120.500 -0.154 0.000 2.249 102 R HA -0.023 4.317 4.340 -0.000 0.000 0.230 102 R C 1.791 177.949 176.300 -0.237 0.000 1.121 102 R CA 1.629 57.562 56.100 -0.278 0.000 0.997 102 R CB -0.053 29.941 30.300 -0.509 0.000 0.867 102 R HN 0.694 nan 8.270 nan 0.000 0.465 103 E N -0.606 119.535 120.200 -0.099 0.000 2.256 103 E HA 0.077 4.427 4.350 -0.000 0.000 0.198 103 E C 0.173 176.838 176.600 0.108 0.000 0.908 103 E CA 0.245 56.637 56.400 -0.014 0.000 0.915 103 E CB 0.366 30.095 29.700 0.047 0.000 0.890 103 E HN 0.367 nan 8.360 nan 0.000 0.484 104 N N 0.150 118.899 118.700 0.083 0.000 2.525 104 N HA 0.501 5.241 4.740 -0.000 0.000 0.288 104 N C -0.735 174.794 175.510 0.033 0.000 1.242 104 N CA -0.485 52.620 53.050 0.091 0.000 0.905 104 N CB 1.765 40.333 38.487 0.135 0.000 1.258 104 N HN -0.168 nan 8.380 nan 0.000 0.551 105 M N 1.118 120.713 119.600 -0.008 0.000 2.326 105 M HA 0.490 4.970 4.480 -0.000 0.000 0.292 105 M C -1.724 174.475 176.300 -0.170 0.000 1.081 105 M CA -0.545 54.703 55.300 -0.086 0.000 0.919 105 M CB 2.264 34.852 32.600 -0.020 0.000 1.634 105 M HN 0.645 nan 8.290 nan 0.000 0.451 106 A N 3.337 125.970 122.820 -0.312 0.000 2.332 106 A HA 0.725 5.045 4.320 -0.000 0.000 0.300 106 A C -1.930 175.361 177.584 -0.490 0.000 1.153 106 A CA -0.423 51.297 52.037 -0.529 0.000 0.764 106 A CB 0.685 19.220 19.000 -0.776 0.000 1.174 106 A HN 0.736 nan 8.150 nan 0.000 0.467 107 Y N 2.002 122.089 120.300 -0.356 0.000 2.404 107 Y HA 0.457 5.007 4.550 -0.000 0.000 0.344 107 Y C 1.147 176.919 175.900 -0.214 0.000 0.970 107 Y CA 0.088 58.071 58.100 -0.194 0.000 1.180 107 Y CB 1.541 39.950 38.460 -0.086 0.000 1.138 107 Y HN 0.686 nan 8.280 nan 0.000 0.510 108 T N 0.195 114.705 114.554 -0.073 0.000 2.888 108 T HA 0.782 5.132 4.350 -0.000 0.000 0.284 108 T C -0.962 173.749 174.700 0.019 0.000 1.017 108 T CA -0.906 61.173 62.100 -0.034 0.000 1.022 108 T CB 1.887 70.730 68.868 -0.041 0.000 1.013 108 T HN 0.362 nan 8.240 nan 0.000 0.465 109 V N 2.071 122.008 119.914 0.037 0.000 2.709 109 V HA 0.707 4.827 4.120 -0.000 0.000 0.308 109 V C -1.001 175.117 176.094 0.041 0.000 1.062 109 V CA -0.699 61.628 62.300 0.045 0.000 0.901 109 V CB 1.740 33.600 31.823 0.062 0.000 1.003 109 V HN 1.168 nan 8.190 nan 0.000 0.425 110 E N 5.810 126.031 120.200 0.035 0.000 2.340 110 E HA 0.808 5.158 4.350 -0.000 0.000 0.273 110 E C -1.139 175.478 176.600 0.029 0.000 0.891 110 E CA -0.582 55.838 56.400 0.032 0.000 0.757 110 E CB 2.273 31.991 29.700 0.029 0.000 1.231 110 E HN 1.021 nan 8.360 nan 0.000 0.439 111 C N 0.577 119.893 119.300 0.027 0.000 3.231 111 C HA 0.485 4.945 4.460 -0.000 0.000 0.343 111 C C -0.717 174.285 174.990 0.019 0.000 1.349 111 C CA -1.145 57.887 59.018 0.024 0.000 1.209 111 C CB -0.404 27.355 27.740 0.031 0.000 1.475 111 C HN 0.902 nan 8.230 nan 0.000 0.460 112 L N 1.876 123.109 121.223 0.017 0.000 2.473 112 L HA 0.304 4.644 4.340 -0.000 0.000 0.268 112 L C 2.073 178.952 176.870 0.014 0.000 1.215 112 L CA -0.194 54.655 54.840 0.015 0.000 0.823 112 L CB 0.129 42.196 42.059 0.013 0.000 1.099 112 L HN 0.836 nan 8.230 nan 0.000 0.483 113 R N 0.671 121.179 120.500 0.014 0.000 2.112 113 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 113 R C 1.390 177.697 176.300 0.011 0.000 1.137 113 R CA 2.081 58.188 56.100 0.013 0.000 0.944 113 R CB -0.305 30.006 30.300 0.018 0.000 0.857 113 R HN 0.707 nan 8.270 nan 0.000 0.435 114 D N 0.257 120.664 120.400 0.012 0.000 2.354 114 D HA -0.114 4.526 4.640 -0.000 0.000 0.216 114 D C 0.523 176.826 176.300 0.005 0.000 0.970 114 D CA 1.107 55.112 54.000 0.009 0.000 0.905 114 D CB -0.147 40.659 40.800 0.010 0.000 0.903 114 D HN 0.330 nan 8.370 nan 0.000 0.508 115 D N -0.118 120.287 120.400 0.007 0.000 2.440 115 D HA 0.012 4.652 4.640 -0.000 0.000 0.216 115 D C 2.123 178.425 176.300 0.003 0.000 1.150 115 D CA 0.062 54.065 54.000 0.006 0.000 0.832 115 D CB 1.048 41.858 40.800 0.017 0.000 0.992 115 D HN 0.114 nan 8.370 nan 0.000 0.502 116 V N -0.256 119.658 119.914 0.001 0.000 2.252 116 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 116 V C 1.828 177.907 176.094 -0.024 0.000 1.056 116 V CA 1.696 63.994 62.300 -0.003 0.000 1.022 116 V CB -0.636 31.186 31.823 -0.002 0.000 0.641 116 V HN -0.046 nan 8.190 nan 0.000 0.445 117 D N 0.400 120.779 120.400 -0.035 0.000 2.157 117 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 117 D C 2.058 178.285 176.300 -0.121 0.000 1.004 117 D CA 2.365 56.326 54.000 -0.065 0.000 0.854 117 D CB -0.321 40.447 40.800 -0.054 0.000 0.936 117 D HN 0.580 nan 8.370 nan 0.000 0.446 118 I N 0.382 120.878 120.570 -0.123 0.000 2.353 118 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 118 I C 2.329 178.305 176.117 -0.235 0.000 1.119 118 I CA 0.586 61.740 61.300 -0.243 0.000 1.417 118 I CB 0.128 38.009 38.000 -0.198 0.000 1.078 118 I HN -0.036 nan 8.210 nan 0.000 0.421 119 L N -0.539 120.673 121.223 -0.019 0.000 2.083 119 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 119 L C 2.575 179.463 176.870 0.029 0.000 1.083 119 L CA 1.375 56.278 54.840 0.105 0.000 0.752 119 L CB -0.631 41.484 42.059 0.095 0.000 0.899 119 L HN 0.390 nan 8.230 nan 0.000 0.433 120 M N 0.558 120.133 119.600 -0.042 0.000 2.080 120 M HA -0.271 4.209 4.480 -0.000 0.000 0.260 120 M C 2.114 178.334 176.300 -0.133 0.000 1.068 120 M CA 1.974 57.235 55.300 -0.065 0.000 1.109 120 M CB -0.415 32.142 32.600 -0.071 0.000 1.342 120 M HN 0.197 nan 8.290 nan 0.000 0.405 121 E N -0.949 119.109 120.200 -0.236 0.000 2.110 121 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 121 E C 1.866 178.315 176.600 -0.252 0.000 0.988 121 E CA 1.584 57.779 56.400 -0.341 0.000 0.804 121 E CB -0.384 29.045 29.700 -0.452 0.000 0.745 121 E HN 0.670 nan 8.360 nan 0.000 0.458 122 F N 0.643 120.529 119.950 -0.106 0.000 2.206 122 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 122 F C 2.383 178.127 175.800 -0.093 0.000 1.090 122 F CA 0.293 58.239 58.000 -0.090 0.000 1.323 122 F CB -0.026 38.937 39.000 -0.062 0.000 1.028 122 F HN 0.121 nan 8.300 nan 0.000 0.492 123 L N 0.326 121.612 121.223 0.104 0.000 1.989 123 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 123 L C 2.279 179.114 176.870 -0.058 0.000 1.071 123 L CA 1.743 56.596 54.840 0.023 0.000 0.749 123 L CB -0.547 41.520 42.059 0.013 0.000 0.890 123 L HN 0.221 nan 8.230 nan 0.000 0.431 124 L N -0.358 120.807 121.223 -0.096 0.000 2.083 124 L HA -0.262 4.078 4.340 -0.000 0.000 0.209 124 L C 2.381 179.175 176.870 -0.127 0.000 1.083 124 L CA 1.151 55.910 54.840 -0.136 0.000 0.752 124 L CB -0.773 41.133 42.059 -0.255 0.000 0.899 124 L HN 0.400 nan 8.230 nan 0.000 0.433 125 N N -0.147 118.486 118.700 -0.111 0.000 2.120 125 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 125 N C 1.870 177.318 175.510 -0.103 0.000 1.024 125 N CA 1.305 54.303 53.050 -0.087 0.000 0.852 125 N CB -0.185 38.286 38.487 -0.027 0.000 1.003 125 N HN 0.154 nan 8.380 nan 0.000 0.424 126 V N 1.089 120.947 119.914 -0.093 0.000 2.453 126 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 126 V C 2.388 178.343 176.094 -0.231 0.000 1.048 126 V CA 2.096 64.312 62.300 -0.140 0.000 1.049 126 V CB -0.842 30.934 31.823 -0.078 0.000 0.672 126 V HN 0.510 nan 8.190 nan 0.000 0.457 127 T N -3.023 111.383 114.554 -0.246 0.000 3.057 127 T HA -0.041 4.309 4.350 -0.000 0.000 0.254 127 T C 1.464 176.144 174.700 -0.033 0.000 1.094 127 T CA 1.181 63.167 62.100 -0.189 0.000 1.088 127 T CB 0.047 68.778 68.868 -0.228 0.000 0.934 127 T HN 0.575 nan 8.240 nan 0.000 0.497 128 T N -2.148 112.365 114.554 -0.070 0.000 3.016 128 T HA 0.636 4.986 4.350 -0.000 0.000 0.271 128 T C 0.794 175.462 174.700 -0.054 0.000 0.968 128 T CA 0.143 62.228 62.100 -0.025 0.000 0.891 128 T CB 0.293 69.172 68.868 0.020 0.000 1.149 128 T HN 0.409 nan 8.240 nan 0.000 0.524 129 A N 1.967 124.724 122.820 -0.105 0.000 2.992 129 A HA 0.677 4.997 4.320 -0.000 0.000 0.263 129 A C -3.172 174.295 177.584 -0.196 0.000 0.928 129 A CA -1.100 50.873 52.037 -0.107 0.000 1.061 129 A CB 0.412 19.368 19.000 -0.073 0.000 1.173 129 A HN 0.324 nan 8.150 nan 0.000 0.482 130 P HA 0.271 nan 4.420 nan 0.000 0.275 130 P C 0.422 177.390 177.300 -0.552 0.000 1.227 130 P CA 0.192 62.914 63.100 -0.630 0.000 0.781 130 P CB 1.137 32.092 31.700 -1.242 0.000 0.906 131 E N 1.561 121.488 120.200 -0.455 0.000 2.276 131 E HA 0.106 4.456 4.350 -0.000 0.000 0.193 131 E C -0.156 176.345 176.600 -0.165 0.000 0.983 131 E CA -0.065 56.218 56.400 -0.196 0.000 0.861 131 E CB -0.250 29.374 29.700 -0.126 0.000 0.817 131 E HN 0.426 nan 8.360 nan 0.000 0.485 132 F N 1.556 121.383 119.950 -0.205 0.000 2.943 132 F HA -0.273 4.254 4.527 -0.000 0.000 0.258 132 F C 0.120 175.771 175.800 -0.248 0.000 0.995 132 F CA -0.179 57.657 58.000 -0.274 0.000 0.896 132 F CB -1.381 37.333 39.000 -0.477 0.000 0.821 132 F HN -0.050 nan 8.300 nan 0.000 0.828 133 R N 0.797 121.158 120.500 -0.232 0.000 2.570 133 R HA 0.090 4.430 4.340 -0.000 0.000 0.277 133 R C 1.558 177.518 176.300 -0.565 0.000 1.039 133 R CA -0.233 55.534 56.100 -0.555 0.000 1.065 133 R CB 0.364 30.046 30.300 -1.030 0.000 0.964 133 R HN 0.402 nan 8.270 nan 0.000 0.428 134 R N 2.297 122.522 120.500 -0.459 0.000 2.162 134 R HA -0.261 4.079 4.340 -0.000 0.000 0.245 134 R C 1.805 178.032 176.300 -0.121 0.000 1.129 134 R CA 2.842 58.827 56.100 -0.191 0.000 0.940 134 R CB -0.234 30.055 30.300 -0.017 0.000 0.875 134 R HN 0.832 nan 8.270 nan 0.000 0.437 135 W N 0.038 121.356 121.300 0.030 0.000 2.388 135 W HA -0.005 4.655 4.660 -0.000 0.000 0.294 135 W C 1.466 177.996 176.519 0.018 0.000 1.212 135 W CA 0.785 58.141 57.345 0.018 0.000 1.271 135 W CB -0.522 28.946 29.460 0.013 0.000 1.126 135 W HN 0.082 nan 8.180 nan 0.000 0.535 136 E N 0.935 120.967 120.200 -0.279 0.000 2.106 136 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 136 E C 2.253 178.825 176.600 -0.046 0.000 0.984 136 E CA 1.680 58.034 56.400 -0.078 0.000 0.806 136 E CB -0.282 29.331 29.700 -0.146 0.000 0.750 136 E HN 0.193 nan 8.360 nan 0.000 0.458 137 V N 1.241 121.101 119.914 -0.090 0.000 2.427 137 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 137 V C 2.287 178.361 176.094 -0.034 0.000 1.051 137 V CA 1.646 63.913 62.300 -0.056 0.000 1.048 137 V CB -0.550 31.225 31.823 -0.079 0.000 0.666 137 V HN 0.298 nan 8.190 nan 0.000 0.456 138 A N 0.214 123.032 122.820 -0.004 0.000 1.908 138 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 138 A C 2.385 179.984 177.584 0.024 0.000 1.181 138 A CA 2.122 54.172 52.037 0.021 0.000 0.627 138 A CB -0.745 18.291 19.000 0.061 0.000 0.818 138 A HN 0.578 nan 8.150 nan 0.000 0.445 139 A N -1.150 121.698 122.820 0.047 0.000 2.067 139 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 139 A C 2.021 179.612 177.584 0.011 0.000 1.158 139 A CA 1.527 53.589 52.037 0.042 0.000 0.661 139 A CB -0.392 18.650 19.000 0.070 0.000 0.801 139 A HN 0.594 nan 8.150 nan 0.000 0.452 140 L N -0.513 120.706 121.223 -0.006 0.000 2.270 140 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 140 L C 2.332 179.168 176.870 -0.057 0.000 1.104 140 L CA 1.331 56.153 54.840 -0.029 0.000 0.804 140 L CB -0.506 41.532 42.059 -0.035 0.000 0.937 140 L HN 0.384 nan 8.230 nan 0.000 0.450 141 Q N 0.432 120.197 119.800 -0.058 0.000 2.082 141 Q HA -0.230 4.110 4.340 -0.000 0.000 0.211 141 Q C -0.217 175.737 176.000 -0.077 0.000 1.002 141 Q CA 2.438 58.194 55.803 -0.078 0.000 0.868 141 Q CB -2.154 26.546 28.738 -0.063 0.000 0.931 141 Q HN 0.430 nan 8.270 nan 0.000 0.414 142 P HA -0.158 nan 4.420 nan 0.000 0.222 142 P C 1.238 178.505 177.300 -0.055 0.000 1.142 142 P CA 1.291 64.365 63.100 -0.044 0.000 0.788 142 P CB -0.086 31.599 31.700 -0.024 0.000 0.767 143 Q N -0.313 119.447 119.800 -0.067 0.000 2.167 143 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 143 Q C 1.885 177.822 176.000 -0.105 0.000 0.970 143 Q CA 1.313 57.074 55.803 -0.070 0.000 0.855 143 Q CB -1.180 27.519 28.738 -0.066 0.000 0.911 143 Q HN 0.174 nan 8.270 nan 0.000 0.438 144 L N -0.207 120.911 121.223 -0.175 0.000 2.043 144 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 144 L C 2.641 179.461 176.870 -0.083 0.000 1.075 144 L CA 1.929 56.617 54.840 -0.253 0.000 0.752 144 L CB -0.411 41.487 42.059 -0.267 0.000 0.891 144 L HN 0.201 nan 8.230 nan 0.000 0.432 145 R N -0.100 120.363 120.500 -0.062 0.000 2.062 145 R HA -0.123 4.217 4.340 -0.000 0.000 0.229 145 R C 2.311 178.594 176.300 -0.028 0.000 1.128 145 R CA 1.088 57.168 56.100 -0.034 0.000 0.960 145 R CB 0.022 30.304 30.300 -0.031 0.000 0.855 145 R HN 0.185 nan 8.270 nan 0.000 0.432 146 I N 1.365 121.918 120.570 -0.028 0.000 2.142 146 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 146 I C 1.987 178.095 176.117 -0.015 0.000 1.078 146 I CA 1.567 62.855 61.300 -0.021 0.000 1.343 146 I CB -1.384 36.606 38.000 -0.017 0.000 1.046 146 I HN 0.229 nan 8.210 nan 0.000 0.405 147 D N 0.905 121.308 120.400 0.005 0.000 2.104 147 D HA -0.241 4.399 4.640 -0.000 0.000 0.194 147 D C 2.292 178.599 176.300 0.013 0.000 0.994 147 D CA 1.517 55.552 54.000 0.058 0.000 0.830 147 D CB 0.010 40.907 40.800 0.161 0.000 0.959 147 D HN 0.195 nan 8.370 nan 0.000 0.452 148 K N -0.419 119.991 120.400 0.016 0.000 2.057 148 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 148 K C 2.029 178.495 176.600 -0.222 0.000 1.050 148 K CA 1.108 57.305 56.287 -0.150 0.000 0.935 148 K CB -0.168 32.316 32.500 -0.028 0.000 0.715 148 K HN 0.133 nan 8.250 nan 0.000 0.439 149 A N 0.636 123.389 122.820 -0.112 0.000 1.902 149 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 149 A C 2.221 179.749 177.584 -0.094 0.000 1.181 149 A CA 1.527 53.511 52.037 -0.089 0.000 0.623 149 A CB -0.615 18.358 19.000 -0.044 0.000 0.818 149 A HN 0.173 nan 8.150 nan 0.000 0.443 150 V N -0.269 119.595 119.914 -0.083 0.000 2.343 150 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 150 V C 3.049 179.081 176.094 -0.104 0.000 1.051 150 V CA 1.948 64.208 62.300 -0.066 0.000 1.036 150 V CB -1.084 30.718 31.823 -0.034 0.000 0.654 150 V HN 0.624 nan 8.190 nan 0.000 0.451 151 A N -0.420 122.278 122.820 -0.203 0.000 1.873 151 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 151 A C 1.950 179.386 177.584 -0.247 0.000 1.186 151 A CA 1.496 53.374 52.037 -0.265 0.000 0.616 151 A CB -0.568 18.070 19.000 -0.603 0.000 0.823 151 A HN 0.425 nan 8.150 nan 0.000 0.442 152 L N 0.867 121.898 121.223 -0.320 0.000 2.642 152 L HA -0.154 4.186 4.340 -0.000 0.000 0.236 152 L C 2.511 179.385 176.870 0.006 0.000 1.169 152 L CA 1.617 56.308 54.840 -0.250 0.000 0.851 152 L CB -0.660 41.147 42.059 -0.420 0.000 0.968 152 L HN 0.703 nan 8.230 nan 0.000 0.453 153 Q N -1.550 118.243 119.800 -0.012 0.000 2.482 153 Q HA -0.005 4.335 4.340 -0.000 0.000 0.209 153 Q C -0.122 175.897 176.000 0.030 0.000 0.961 153 Q CA 0.285 56.105 55.803 0.028 0.000 0.945 153 Q CB -0.248 28.495 28.738 0.008 0.000 1.012 153 Q HN 0.454 nan 8.270 nan 0.000 0.515 154 N N 2.536 121.255 118.700 0.032 0.000 2.426 154 N HA 0.144 4.884 4.740 -0.000 0.000 0.257 154 N C -2.133 173.404 175.510 0.046 0.000 1.002 154 N CA -1.518 51.551 53.050 0.033 0.000 0.942 154 N CB 1.645 40.155 38.487 0.038 0.000 1.112 154 N HN -0.050 nan 8.380 nan 0.000 0.499 155 P HA -0.179 nan 4.420 nan 0.000 0.217 155 P C 1.055 178.300 177.300 -0.092 0.000 1.148 155 P CA 1.467 64.416 63.100 -0.250 0.000 0.834 155 P CB 0.488 31.675 31.700 -0.854 0.000 0.783 156 Q N -0.327 119.488 119.800 0.025 0.000 2.077 156 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 156 Q C 2.347 178.458 176.000 0.185 0.000 0.989 156 Q CA 2.214 58.133 55.803 0.193 0.000 0.853 156 Q CB -1.403 27.401 28.738 0.110 0.000 0.907 156 Q HN 0.203 nan 8.270 nan 0.000 0.418 157 A N 0.405 123.308 122.820 0.137 0.000 1.978 157 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 157 A C 1.778 179.434 177.584 0.121 0.000 1.170 157 A CA 1.596 53.707 52.037 0.123 0.000 0.636 157 A CB -0.748 18.280 19.000 0.046 0.000 0.810 157 A HN 0.461 nan 8.150 nan 0.000 0.448 158 H N -0.733 118.356 119.070 0.031 0.000 2.270 158 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 158 H C 2.334 177.696 175.328 0.057 0.000 1.077 158 H CA 1.766 57.830 56.048 0.027 0.000 1.294 158 H CB -0.372 29.382 29.762 -0.014 0.000 1.371 158 H HN 0.315 nan 8.280 nan 0.000 0.491 159 V N 1.600 121.644 119.914 0.217 0.000 2.252 159 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 159 V C 2.699 178.874 176.094 0.136 0.000 1.056 159 V CA 1.908 64.292 62.300 0.139 0.000 1.022 159 V CB -0.632 31.286 31.823 0.158 0.000 0.641 159 V HN 0.317 nan 8.190 nan 0.000 0.445 160 I N -0.386 120.305 120.570 0.202 0.000 2.361 160 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 160 I C 2.665 178.958 176.117 0.294 0.000 1.133 160 I CA 1.223 62.655 61.300 0.220 0.000 1.413 160 I CB -0.387 37.791 38.000 0.296 0.000 1.073 160 I HN 0.361 nan 8.210 nan 0.000 0.424 161 E N 0.718 121.052 120.200 0.223 0.000 2.106 161 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 161 E C 1.751 178.452 176.600 0.168 0.000 0.984 161 E CA 1.209 57.723 56.400 0.191 0.000 0.806 161 E CB -0.465 29.314 29.700 0.130 0.000 0.750 161 E HN 0.623 nan 8.360 nan 0.000 0.458 162 N N 0.684 119.461 118.700 0.128 0.000 2.270 162 N HA -0.051 4.689 4.740 -0.000 0.000 0.181 162 N C 1.964 177.511 175.510 0.062 0.000 1.016 162 N CA 0.113 53.215 53.050 0.087 0.000 0.870 162 N CB 0.074 38.598 38.487 0.062 0.000 0.979 162 N HN 0.045 nan 8.380 nan 0.000 0.431 163 L N 0.443 121.692 121.223 0.043 0.000 2.046 163 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 163 L C 1.624 178.480 176.870 -0.024 0.000 1.077 163 L CA 1.811 56.615 54.840 -0.059 0.000 0.747 163 L CB -0.282 41.675 42.059 -0.171 0.000 0.896 163 L HN 0.318 nan 8.230 nan 0.000 0.432 164 H N -0.891 118.252 119.070 0.122 0.000 2.363 164 H HA -0.006 4.550 4.556 -0.000 0.000 0.301 164 H C 2.236 177.667 175.328 0.172 0.000 1.074 164 H CA 1.264 57.438 56.048 0.210 0.000 1.354 164 H CB -0.069 29.789 29.762 0.160 0.000 1.397 164 H HN 0.434 nan 8.280 nan 0.000 0.516 165 A N 0.844 123.793 122.820 0.215 0.000 1.940 165 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 165 A C 2.440 180.086 177.584 0.104 0.000 1.176 165 A CA 1.744 53.863 52.037 0.138 0.000 0.631 165 A CB -0.970 18.090 19.000 0.099 0.000 0.814 165 A HN 0.482 nan 8.150 nan 0.000 0.446 166 A N -0.823 122.030 122.820 0.056 0.000 1.970 166 A HA 0.371 4.691 4.320 -0.000 0.000 0.216 166 A C 2.346 179.870 177.584 -0.100 0.000 1.170 166 A CA 1.562 53.593 52.037 -0.009 0.000 0.645 166 A CB -0.607 18.360 19.000 -0.054 0.000 0.816 166 A HN 0.945 nan 8.150 nan 0.000 0.447 167 A N -1.851 120.886 122.820 -0.139 0.000 1.975 167 A HA 0.366 4.686 4.320 -0.000 0.000 0.215 167 A C 0.577 177.796 177.584 -0.608 0.000 1.170 167 A CA 0.428 52.167 52.037 -0.496 0.000 0.656 167 A CB -0.170 18.542 19.000 -0.480 0.000 0.821 167 A HN 0.445 nan 8.150 nan 0.000 0.449 168 Y N -0.677 119.590 120.300 -0.055 0.000 2.468 168 Y HA 0.456 5.006 4.550 -0.000 0.000 0.342 168 Y C 1.244 177.142 175.900 -0.004 0.000 1.021 168 Y CA -1.014 57.080 58.100 -0.010 0.000 1.079 168 Y CB 1.379 39.858 38.460 0.031 0.000 1.226 168 Y HN 0.206 nan 8.280 nan 0.000 0.460 169 R N 0.243 120.809 120.500 0.109 0.000 2.427 169 R HA 0.224 4.564 4.340 -0.000 0.000 0.262 169 R C -0.313 175.994 176.300 0.011 0.000 0.943 169 R CA 0.253 56.330 56.100 -0.038 0.000 1.081 169 R CB 0.179 30.351 30.300 -0.214 0.000 1.166 169 R HN 0.584 nan 8.270 nan 0.000 0.534 170 N N 0.581 119.325 118.700 0.072 0.000 2.961 170 N HA 0.201 4.941 4.740 -0.000 0.000 0.155 170 N C 0.715 176.210 175.510 -0.024 0.000 1.557 170 N CA 0.690 53.755 53.050 0.024 0.000 1.162 170 N CB 0.441 38.953 38.487 0.042 0.000 1.038 170 N HN 0.081 nan 8.380 nan 0.000 0.489 171 A N 0.910 123.677 122.820 -0.087 0.000 1.920 171 A HA 0.333 4.653 4.320 -0.000 0.000 0.209 171 A C 2.049 179.465 177.584 -0.280 0.000 1.229 171 A CA 0.294 52.223 52.037 -0.180 0.000 0.671 171 A CB -0.595 18.269 19.000 -0.227 0.000 0.886 171 A HN 0.317 nan 8.150 nan 0.000 0.461 172 L N 0.072 121.043 121.223 -0.419 0.000 2.551 172 L HA -0.023 4.317 4.340 -0.000 0.000 0.228 172 L C 2.585 179.274 176.870 -0.302 0.000 1.153 172 L CA 0.538 55.026 54.840 -0.587 0.000 0.851 172 L CB -0.094 41.314 42.059 -1.084 0.000 0.959 172 L HN 0.452 nan 8.230 nan 0.000 0.451 173 A N -0.546 122.214 122.820 -0.099 0.000 2.067 173 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 173 A C 0.911 178.494 177.584 -0.001 0.000 1.156 173 A CA 0.124 52.200 52.037 0.065 0.000 0.683 173 A CB -0.568 18.499 19.000 0.112 0.000 0.808 173 A HN 0.451 nan 8.150 nan 0.000 0.455 174 N N 0.474 119.129 118.700 -0.075 0.000 2.345 174 N HA 0.164 4.904 4.740 -0.000 0.000 0.243 174 N C 0.053 175.506 175.510 -0.096 0.000 1.246 174 N CA 0.173 53.178 53.050 -0.075 0.000 0.863 174 N CB 0.325 38.750 38.487 -0.103 0.000 1.096 174 N HN 0.257 nan 8.380 nan 0.000 0.446 175 S N 1.139 116.800 115.700 -0.064 0.000 2.610 175 S HA 0.177 4.647 4.470 -0.000 0.000 0.273 175 S C 0.868 175.362 174.600 -0.177 0.000 1.274 175 S CA -0.725 57.426 58.200 -0.081 0.000 1.023 175 S CB 0.809 64.002 63.200 -0.012 0.000 0.962 175 S HN 0.435 nan 8.310 nan 0.000 0.523 176 L N 3.963 125.018 121.223 -0.280 0.000 2.552 176 L HA 0.329 4.669 4.340 -0.000 0.000 0.227 176 L C -0.719 175.688 176.870 -0.772 0.000 1.146 176 L CA 1.017 55.555 54.840 -0.504 0.000 0.858 176 L CB -0.647 41.034 42.059 -0.631 0.000 0.969 176 L HN 0.659 nan 8.230 nan 0.000 0.451 177 Y N -2.412 117.738 120.300 -0.250 0.000 2.393 177 Y HA 0.293 4.843 4.550 -0.000 0.000 0.341 177 Y C 0.424 176.284 175.900 -0.066 0.000 0.988 177 Y CA -1.127 56.795 58.100 -0.296 0.000 1.078 177 Y CB 1.097 39.427 38.460 -0.217 0.000 1.203 177 Y HN -0.241 nan 8.280 nan 0.000 0.453 178 C N 6.539 126.029 119.300 0.316 0.000 2.592 178 C HA 0.175 4.635 4.460 -0.000 0.000 0.408 178 C C -2.121 172.893 174.990 0.040 0.000 1.436 178 C CA -1.564 57.538 59.018 0.141 0.000 1.595 178 C CB -0.876 26.940 27.740 0.127 0.000 2.487 178 C HN 0.500 nan 8.230 nan 0.000 0.610 179 P HA 0.071 nan 4.420 nan 0.000 0.264 179 P C 0.517 177.759 177.300 -0.096 0.000 1.183 179 P CA 0.466 63.546 63.100 -0.034 0.000 0.763 179 P CB 0.525 32.201 31.700 -0.040 0.000 0.807 180 D N 1.777 122.185 120.400 0.013 0.000 2.149 180 D HA -0.228 4.412 4.640 -0.000 0.000 0.194 180 D C 1.648 177.946 176.300 -0.003 0.000 1.001 180 D CA 1.838 55.846 54.000 0.014 0.000 0.849 180 D CB -0.932 39.903 40.800 0.058 0.000 0.939 180 D HN 0.633 nan 8.370 nan 0.000 0.449 181 Y N -0.098 120.207 120.300 0.008 0.000 2.569 181 Y HA 0.037 4.587 4.550 -0.000 0.000 0.293 181 Y C 1.676 177.575 175.900 -0.000 0.000 1.144 181 Y CA 0.729 58.831 58.100 0.004 0.000 1.321 181 Y CB -0.084 38.379 38.460 0.005 0.000 0.982 181 Y HN -0.184 nan 8.280 nan 0.000 0.558 182 R N 0.979 121.066 120.500 -0.688 0.000 2.290 182 R HA 0.250 4.590 4.340 -0.000 0.000 0.197 182 R C 0.352 176.514 176.300 -0.230 0.000 0.913 182 R CA -0.046 55.759 56.100 -0.492 0.000 1.040 182 R CB 0.093 30.058 30.300 -0.559 0.000 0.992 182 R HN 0.367 nan 8.270 nan 0.000 0.500 183 I N 1.618 122.087 120.570 -0.169 0.000 2.752 183 I HA -0.125 4.045 4.170 -0.000 0.000 0.286 183 I C 1.237 177.304 176.117 -0.084 0.000 1.180 183 I CA 1.268 62.501 61.300 -0.112 0.000 1.404 183 I CB 0.087 38.041 38.000 -0.076 0.000 1.389 183 I HN 0.466 nan 8.210 nan 0.000 0.549 184 G N 5.552 114.301 108.800 -0.084 0.000 2.232 184 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.226 184 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.226 184 G C 0.891 175.760 174.900 -0.053 0.000 0.996 184 G CA -0.036 45.030 45.100 -0.056 0.000 0.626 184 G HN 0.618 nan 8.290 nan 0.000 0.509 185 K N 0.053 120.410 120.400 -0.071 0.000 2.355 185 K HA 0.450 4.770 4.320 -0.000 0.000 0.198 185 K C 1.100 177.656 176.600 -0.073 0.000 1.039 185 K CA 0.542 56.795 56.287 -0.057 0.000 1.075 185 K CB 1.553 34.032 32.500 -0.035 0.000 0.870 185 K HN 0.600 nan 8.250 nan 0.000 0.540 186 V N 2.204 122.055 119.914 -0.106 0.000 2.637 186 V HA 0.129 4.249 4.120 -0.000 0.000 0.296 186 V C -0.029 175.997 176.094 -0.113 0.000 1.046 186 V CA -0.119 62.110 62.300 -0.120 0.000 1.066 186 V CB 0.835 32.563 31.823 -0.158 0.000 0.968 186 V HN 0.309 nan 8.190 nan 0.000 0.483 187 T N 4.551 119.044 114.554 -0.101 0.000 2.943 187 T HA 0.579 4.929 4.350 -0.000 0.000 0.284 187 T C -1.567 173.055 174.700 -0.130 0.000 1.015 187 T CA -1.594 60.453 62.100 -0.087 0.000 1.042 187 T CB 1.480 70.323 68.868 -0.043 0.000 1.055 187 T HN 0.551 nan 8.240 nan 0.000 0.500 188 P HA -0.173 nan 4.420 nan 0.000 0.216 188 P C 1.794 179.083 177.300 -0.019 0.000 1.153 188 P CA 1.002 64.040 63.100 -0.104 0.000 0.858 188 P CB -0.221 31.483 31.700 0.007 0.000 0.789 189 V N 0.462 120.399 119.914 0.039 0.000 2.407 189 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 189 V C 2.183 178.294 176.094 0.029 0.000 1.055 189 V CA 1.990 64.341 62.300 0.084 0.000 1.049 189 V CB -1.230 30.623 31.823 0.049 0.000 0.662 189 V HN 0.016 nan 8.190 nan 0.000 0.455 190 E N 0.011 120.188 120.200 -0.038 0.000 2.153 190 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 190 E C 2.146 178.679 176.600 -0.112 0.000 0.988 190 E CA 1.717 58.090 56.400 -0.045 0.000 0.811 190 E CB -0.207 29.458 29.700 -0.059 0.000 0.746 190 E HN 0.654 nan 8.360 nan 0.000 0.466 191 L N 0.105 121.129 121.223 -0.332 0.000 2.044 191 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 191 L C 2.489 179.126 176.870 -0.388 0.000 1.075 191 L CA 0.872 55.328 54.840 -0.640 0.000 0.747 191 L CB -0.557 40.552 42.059 -1.583 0.000 0.903 191 L HN 0.222 nan 8.230 nan 0.000 0.435 192 H N 0.319 119.285 119.070 -0.173 0.000 2.352 192 H HA -0.182 4.374 4.556 -0.000 0.000 0.299 192 H C 1.822 177.167 175.328 0.028 0.000 1.097 192 H CA 1.814 57.904 56.048 0.071 0.000 1.311 192 H CB -0.126 29.688 29.762 0.087 0.000 1.377 192 H HN 0.359 nan 8.280 nan 0.000 0.504 193 D N -0.091 120.388 120.400 0.132 0.000 2.178 193 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 193 D C 2.025 178.371 176.300 0.076 0.000 0.980 193 D CA 0.701 54.748 54.000 0.078 0.000 0.842 193 D CB -0.570 40.268 40.800 0.063 0.000 0.948 193 D HN 0.393 nan 8.370 nan 0.000 0.472 194 Y N 0.636 120.934 120.300 -0.002 0.000 2.373 194 Y HA -0.139 4.410 4.550 -0.000 0.000 0.293 194 Y C 2.114 178.083 175.900 0.114 0.000 1.129 194 Y CA 0.791 58.959 58.100 0.114 0.000 1.226 194 Y CB 0.264 38.778 38.460 0.089 0.000 1.000 194 Y HN -0.199 nan 8.280 nan 0.000 0.549 195 V N -0.423 119.536 119.914 0.075 0.000 2.500 195 V HA -0.225 3.895 4.120 -0.000 0.000 0.243 195 V C 1.910 177.994 176.094 -0.018 0.000 1.039 195 V CA 1.700 63.905 62.300 -0.158 0.000 1.053 195 V CB -0.422 31.258 31.823 -0.237 0.000 0.695 195 V HN 0.323 nan 8.190 nan 0.000 0.463 196 Q N 0.968 120.772 119.800 0.006 0.000 2.170 196 Q HA -0.177 4.163 4.340 -0.000 0.000 0.203 196 Q C 1.922 177.883 176.000 -0.064 0.000 0.976 196 Q CA 1.794 57.596 55.803 -0.002 0.000 0.858 196 Q CB -0.239 28.503 28.738 0.008 0.000 0.907 196 Q HN 0.896 nan 8.270 nan 0.000 0.433 197 N N -1.456 117.137 118.700 -0.178 0.000 2.356 197 N HA -0.065 4.675 4.740 -0.000 0.000 0.178 197 N C 0.787 176.008 175.510 -0.481 0.000 1.075 197 N CA 0.295 53.143 53.050 -0.337 0.000 0.889 197 N CB 0.145 38.414 38.487 -0.363 0.000 0.999 197 N HN 0.330 nan 8.380 nan 0.000 0.464 198 H N -0.793 118.229 119.070 -0.080 0.000 2.615 198 H HA 0.244 4.800 4.556 -0.000 0.000 0.275 198 H C -0.193 175.198 175.328 0.105 0.000 0.981 198 H CA -0.089 55.905 56.048 -0.090 0.000 1.252 198 H CB 0.201 29.803 29.762 -0.267 0.000 1.447 198 H HN 0.070 nan 8.280 nan 0.000 0.498 199 F N 3.244 123.208 119.950 0.024 0.000 2.666 199 F HA 0.175 4.702 4.527 -0.000 0.000 0.362 199 F C 0.766 176.565 175.800 -0.002 0.000 1.190 199 F CA -0.544 57.473 58.000 0.029 0.000 1.328 199 F CB -0.915 38.111 39.000 0.044 0.000 1.682 199 F HN 0.024 nan 8.300 nan 0.000 0.623 200 T N -4.198 110.412 114.554 0.094 0.000 2.942 200 T HA 0.349 4.699 4.350 -0.000 0.000 0.289 200 T C 1.317 176.027 174.700 0.016 0.000 1.044 200 T CA -0.604 61.523 62.100 0.046 0.000 1.023 200 T CB 1.672 70.547 68.868 0.011 0.000 1.123 200 T HN 0.033 nan 8.240 nan 0.000 0.512 201 S N 1.009 116.716 115.700 0.012 0.000 2.365 201 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 201 S C 2.315 176.912 174.600 -0.004 0.000 1.039 201 S CA 1.441 59.642 58.200 0.002 0.000 1.033 201 S CB -0.981 62.218 63.200 -0.001 0.000 0.887 201 S HN 0.992 nan 8.310 nan 0.000 0.447 202 A N 0.908 123.725 122.820 -0.005 0.000 2.239 202 A HA 0.043 4.363 4.320 -0.000 0.000 0.209 202 A C 1.644 179.224 177.584 -0.007 0.000 1.171 202 A CA 0.536 52.571 52.037 -0.004 0.000 0.768 202 A CB -0.203 18.796 19.000 -0.003 0.000 0.790 202 A HN 0.495 nan 8.150 nan 0.000 0.478 203 R N -1.669 118.820 120.500 -0.017 0.000 2.596 203 R HA 0.468 4.808 4.340 -0.000 0.000 0.369 203 R C -0.443 175.840 176.300 -0.028 0.000 1.042 203 R CA -0.052 56.030 56.100 -0.030 0.000 1.120 203 R CB 0.386 30.644 30.300 -0.069 0.000 1.353 203 R HN 0.392 nan 8.270 nan 0.000 0.564 204 M N 0.213 119.805 119.600 -0.013 0.000 2.716 204 M HA 0.669 5.149 4.480 -0.000 0.000 0.307 204 M C -1.241 175.071 176.300 0.019 0.000 1.223 204 M CA -0.895 54.402 55.300 -0.006 0.000 0.871 204 M CB 2.642 35.231 32.600 -0.018 0.000 1.739 204 M HN 0.049 nan 8.290 nan 0.000 0.475 205 A N 2.088 124.943 122.820 0.059 0.000 2.437 205 A HA 0.717 5.037 4.320 -0.000 0.000 0.293 205 A C -2.008 175.637 177.584 0.101 0.000 1.038 205 A CA -0.548 51.519 52.037 0.051 0.000 0.708 205 A CB 1.255 20.287 19.000 0.053 0.000 1.251 205 A HN 0.725 nan 8.150 nan 0.000 0.409 206 L N 4.741 125.979 121.223 0.024 0.000 2.277 206 L HA 0.605 4.945 4.340 -0.000 0.000 0.284 206 L C -1.042 175.838 176.870 0.018 0.000 1.028 206 L CA -0.297 54.568 54.840 0.042 0.000 0.835 206 L CB 0.460 42.515 42.059 -0.007 0.000 1.215 206 L HN 0.555 nan 8.230 nan 0.000 0.425 207 I N 4.034 124.666 120.570 0.104 0.000 2.460 207 I HA 0.681 4.851 4.170 -0.000 0.000 0.298 207 I C 0.660 176.825 176.117 0.080 0.000 0.989 207 I CA -0.476 60.861 61.300 0.062 0.000 1.173 207 I CB 1.293 39.336 38.000 0.071 0.000 1.338 207 I HN 0.669 nan 8.210 nan 0.000 0.456 208 G N 5.124 113.953 108.800 0.049 0.000 2.620 208 G HA2 0.681 4.641 3.960 -0.000 0.000 0.301 208 G HA3 0.681 4.641 3.960 -0.000 0.000 0.301 208 G C -1.931 173.007 174.900 0.064 0.000 1.347 208 G CA -0.384 44.746 45.100 0.051 0.000 0.971 208 G HN 0.369 nan 8.290 nan 0.000 0.488 209 L N 1.505 122.763 121.223 0.058 0.000 2.406 209 L HA 0.650 4.990 4.340 -0.000 0.000 0.270 209 L C 0.790 177.661 176.870 0.002 0.000 0.982 209 L CA 0.871 55.737 54.840 0.044 0.000 0.843 209 L CB 1.790 43.899 42.059 0.083 0.000 1.225 209 L HN 1.384 nan 8.230 nan 0.000 0.412 210 G N 2.793 111.569 108.800 -0.040 0.000 2.141 210 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.231 210 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.231 210 G C -0.175 174.698 174.900 -0.045 0.000 0.984 210 G CA 0.087 45.153 45.100 -0.058 0.000 0.660 210 G HN 0.956 nan 8.290 nan 0.000 0.525 211 V N -2.163 117.730 119.914 -0.034 0.000 3.181 211 V HA 1.000 5.120 4.120 -0.000 0.000 0.314 211 V C 0.408 176.489 176.094 -0.022 0.000 1.173 211 V CA -0.109 62.178 62.300 -0.022 0.000 1.052 211 V CB 1.586 33.402 31.823 -0.011 0.000 1.123 211 V HN 1.463 nan 8.190 nan 0.000 0.454 212 S N -2.022 113.675 115.700 -0.005 0.000 2.578 212 S HA 0.490 4.960 4.470 -0.000 0.000 0.301 212 S C 0.599 175.224 174.600 0.043 0.000 1.091 212 S CA -0.034 58.179 58.200 0.022 0.000 1.032 212 S CB 1.266 64.482 63.200 0.026 0.000 1.064 212 S HN 0.946 nan 8.310 nan 0.000 0.508 213 H N 2.377 121.440 119.070 -0.013 0.000 2.319 213 H HA 0.039 4.595 4.556 -0.000 0.000 0.297 213 H C -1.232 174.091 175.328 -0.007 0.000 1.097 213 H CA 2.805 58.847 56.048 -0.010 0.000 1.285 213 H CB -1.098 28.661 29.762 -0.004 0.000 1.368 213 H HN 0.526 nan 8.280 nan 0.000 0.495 214 P HA -0.180 nan 4.420 nan 0.000 0.216 214 P C 1.690 178.983 177.300 -0.012 0.000 1.153 214 P CA 1.330 64.454 63.100 0.039 0.000 0.858 214 P CB 0.030 31.759 31.700 0.047 0.000 0.789 215 V N -0.615 119.293 119.914 -0.011 0.000 2.295 215 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 215 V C 2.482 178.551 176.094 -0.041 0.000 1.049 215 V CA 1.620 63.911 62.300 -0.015 0.000 1.024 215 V CB -1.173 30.647 31.823 -0.005 0.000 0.648 215 V HN 0.071 nan 8.190 nan 0.000 0.447 216 L N -0.398 120.771 121.223 -0.090 0.000 2.017 216 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 216 L C 2.595 179.379 176.870 -0.143 0.000 1.073 216 L CA 2.039 56.804 54.840 -0.123 0.000 0.745 216 L CB -0.589 41.350 42.059 -0.199 0.000 0.894 216 L HN 0.313 nan 8.230 nan 0.000 0.432 217 K N -0.242 120.035 120.400 -0.205 0.000 2.097 217 K HA -0.272 4.048 4.320 -0.000 0.000 0.206 217 K C 2.173 178.728 176.600 -0.075 0.000 1.049 217 K CA 1.489 57.683 56.287 -0.155 0.000 0.933 217 K CB 0.056 32.483 32.500 -0.122 0.000 0.717 217 K HN 0.086 nan 8.250 nan 0.000 0.442 218 Q N 0.312 120.083 119.800 -0.049 0.000 2.020 218 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 218 Q C 1.848 177.840 176.000 -0.013 0.000 0.982 218 Q CA 1.846 57.631 55.803 -0.030 0.000 0.838 218 Q CB -0.263 28.470 28.738 -0.008 0.000 0.899 218 Q HN 0.144 nan 8.270 nan 0.000 0.423 219 V N 0.757 120.693 119.914 0.038 0.000 2.332 219 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 219 V C 2.240 178.403 176.094 0.115 0.000 1.055 219 V CA 1.923 64.313 62.300 0.150 0.000 1.038 219 V CB -1.161 30.730 31.823 0.112 0.000 0.651 219 V HN 0.553 nan 8.190 nan 0.000 0.450 220 A N -0.705 122.125 122.820 0.017 0.000 1.898 220 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 220 A C 2.150 179.714 177.584 -0.035 0.000 1.181 220 A CA 1.671 53.704 52.037 -0.006 0.000 0.620 220 A CB -0.383 18.587 19.000 -0.050 0.000 0.819 220 A HN 0.626 nan 8.150 nan 0.000 0.442 221 E N -0.614 119.547 120.200 -0.065 0.000 2.216 221 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 221 E C 2.180 178.686 176.600 -0.157 0.000 0.988 221 E CA 0.934 57.282 56.400 -0.088 0.000 0.834 221 E CB -0.065 29.588 29.700 -0.077 0.000 0.772 221 E HN 0.721 nan 8.360 nan 0.000 0.479 222 Q N -0.774 118.875 119.800 -0.251 0.000 2.165 222 Q HA 0.005 4.345 4.340 -0.000 0.000 0.197 222 Q C 1.264 176.840 176.000 -0.706 0.000 0.952 222 Q CA 0.969 56.430 55.803 -0.570 0.000 0.848 222 Q CB 0.267 28.459 28.738 -0.910 0.000 0.931 222 Q HN 0.274 nan 8.270 nan 0.000 0.470 223 F N -1.010 118.922 119.950 -0.030 0.000 2.680 223 F HA 0.182 4.709 4.527 -0.000 0.000 0.290 223 F C 1.285 177.071 175.800 -0.023 0.000 1.114 223 F CA 0.021 58.004 58.000 -0.028 0.000 1.333 223 F CB 0.573 39.553 39.000 -0.033 0.000 1.091 223 F HN -0.127 nan 8.300 nan 0.000 0.606 224 L N 0.447 121.735 121.223 0.108 0.000 2.688 224 L HA 0.154 4.494 4.340 -0.000 0.000 0.234 224 L C 0.167 177.053 176.870 0.027 0.000 1.192 224 L CA -0.027 54.852 54.840 0.065 0.000 0.984 224 L CB -0.616 41.470 42.059 0.045 0.000 1.232 224 L HN 0.008 nan 8.230 nan 0.000 0.465 225 N N 1.893 120.598 118.700 0.007 0.000 2.968 225 N HA 0.189 4.929 4.740 -0.000 0.000 0.271 225 N C -0.817 174.695 175.510 0.004 0.000 1.174 225 N CA 0.038 53.083 53.050 -0.008 0.000 1.096 225 N CB 0.158 38.626 38.487 -0.033 0.000 1.403 225 N HN 0.033 nan 8.380 nan 0.000 0.522 226 I N 1.478 122.057 120.570 0.016 0.000 2.436 226 I HA 0.521 4.691 4.170 -0.000 0.000 0.289 226 I C 0.052 176.177 176.117 0.012 0.000 1.010 226 I CA -0.628 60.684 61.300 0.021 0.000 1.098 226 I CB 1.422 39.448 38.000 0.043 0.000 1.266 226 I HN 0.213 nan 8.210 nan 0.000 0.434 227 R N 3.158 123.661 120.500 0.004 0.000 2.579 227 R HA 0.569 4.909 4.340 -0.000 0.000 0.260 227 R C -0.250 176.044 176.300 -0.011 0.000 1.103 227 R CA -0.315 55.783 56.100 -0.004 0.000 0.942 227 R CB 2.208 32.505 30.300 -0.006 0.000 1.251 227 R HN 0.910 nan 8.270 nan 0.000 0.450 228 G N 1.015 109.803 108.800 -0.020 0.000 4.553 228 G HA2 0.056 4.016 3.960 -0.000 0.000 0.222 228 G HA3 0.056 4.016 3.960 -0.000 0.000 0.222 228 G C 0.052 174.925 174.900 -0.046 0.000 0.795 228 G CA 0.089 45.172 45.100 -0.027 0.000 1.181 228 G HN 0.792 nan 8.290 nan 0.000 0.766 229 G N -0.177 108.588 108.800 -0.059 0.000 2.882 229 G HA2 0.697 4.657 3.960 -0.000 0.000 0.164 229 G HA3 0.697 4.657 3.960 -0.000 0.000 0.164 229 G C 0.535 175.372 174.900 -0.105 0.000 1.429 229 G CA -0.683 44.353 45.100 -0.108 0.000 1.059 229 G HN 0.317 nan 8.290 nan 0.000 0.581 230 L N -0.951 120.189 121.223 -0.138 0.000 2.770 230 L HA 0.556 4.896 4.340 -0.000 0.000 0.229 230 L C 1.872 178.712 176.870 -0.050 0.000 1.173 230 L CA 0.023 54.812 54.840 -0.084 0.000 0.871 230 L CB 0.795 42.807 42.059 -0.078 0.000 1.682 230 L HN 0.622 nan 8.230 nan 0.000 0.523 231 G N -0.746 108.042 108.800 -0.021 0.000 2.613 231 G HA2 0.234 4.194 3.960 -0.000 0.000 0.218 231 G HA3 0.234 4.194 3.960 -0.000 0.000 0.218 231 G C 0.347 175.250 174.900 0.005 0.000 1.508 231 G CA -0.088 45.008 45.100 -0.006 0.000 0.788 231 G HN 0.274 nan 8.290 nan 0.000 0.603 232 L N -0.707 120.537 121.223 0.035 0.000 2.970 232 L HA 0.598 4.938 4.340 -0.000 0.000 0.214 232 L C 0.284 177.220 176.870 0.109 0.000 1.317 232 L CA -0.379 54.496 54.840 0.059 0.000 1.187 232 L CB -0.302 41.795 42.059 0.063 0.000 2.155 232 L HN 0.037 nan 8.230 nan 0.000 0.554 233 S N 0.058 115.841 115.700 0.139 0.000 3.812 233 S HA 0.589 5.059 4.470 -0.000 0.000 0.195 233 S C 0.327 175.054 174.600 0.211 0.000 1.460 233 S CA 0.276 58.607 58.200 0.219 0.000 1.052 233 S CB -0.927 62.363 63.200 0.150 0.000 1.385 233 S HN 1.096 nan 8.310 nan 0.000 0.490 234 G N 0.530 109.507 108.800 0.294 0.000 2.347 234 G HA2 0.299 4.259 3.960 -0.000 0.000 0.341 234 G HA3 0.299 4.259 3.960 -0.000 0.000 0.341 234 G C -0.035 174.941 174.900 0.126 0.000 1.287 234 G CA -0.282 44.923 45.100 0.175 0.000 0.984 234 G HN 0.391 nan 8.290 nan 0.000 0.526 235 A N -0.745 122.115 122.820 0.066 0.000 2.324 235 A HA 0.768 5.088 4.320 -0.000 0.000 0.220 235 A C 0.788 178.399 177.584 0.045 0.000 1.209 235 A CA 1.798 53.870 52.037 0.058 0.000 0.918 235 A CB -0.073 18.954 19.000 0.045 0.000 0.959 235 A HN 2.099 nan 8.150 nan 0.000 0.507 236 K N -1.171 119.250 120.400 0.034 0.000 4.199 236 K HA -0.018 4.302 4.320 -0.000 0.000 0.937 236 K C -0.401 176.230 176.600 0.052 0.000 1.794 236 K CA 0.531 56.845 56.287 0.045 0.000 1.368 236 K CB -1.363 31.174 32.500 0.061 0.000 3.110 236 K HN 1.030 nan 8.250 nan 0.000 0.143 237 A N 5.607 128.460 122.820 0.055 0.000 2.438 237 A HA 0.207 4.527 4.320 -0.000 0.000 0.280 237 A C -0.198 177.536 177.584 0.250 0.000 1.160 237 A CA 0.200 52.302 52.037 0.109 0.000 0.821 237 A CB 0.110 19.129 19.000 0.032 0.000 1.101 237 A HN 0.410 nan 8.150 nan 0.000 0.515 238 K N 3.202 123.747 120.400 0.242 0.000 2.267 238 K HA 0.157 4.477 4.320 -0.000 0.000 0.282 238 K C -0.965 175.804 176.600 0.283 0.000 1.078 238 K CA -0.238 56.183 56.287 0.223 0.000 0.903 238 K CB 1.046 33.621 32.500 0.125 0.000 1.111 238 K HN 0.709 nan 8.250 nan 0.000 0.475 239 Y N 2.749 123.127 120.300 0.130 0.000 2.425 239 Y HA -0.083 4.467 4.550 -0.000 0.000 0.331 239 Y C 1.339 177.248 175.900 0.015 0.000 1.157 239 Y CA 0.759 58.803 58.100 -0.092 0.000 1.372 239 Y CB 0.463 38.833 38.460 -0.150 0.000 1.253 239 Y HN 0.751 nan 8.280 nan 0.000 0.536 240 H N 3.069 121.793 119.070 -0.578 0.000 2.348 240 H HA 0.549 5.105 4.556 -0.000 0.000 0.233 240 H C 0.577 175.664 175.328 -0.402 0.000 0.889 240 H CA 0.316 56.179 56.048 -0.309 0.000 1.034 240 H CB 0.449 30.122 29.762 -0.148 0.000 1.393 240 H HN 0.962 nan 8.280 nan 0.000 0.422 241 G N -0.647 107.560 108.800 -0.989 0.000 2.612 241 G HA2 0.398 4.358 3.960 -0.000 0.000 0.686 241 G HA3 0.398 4.358 3.960 -0.000 0.000 0.686 241 G C 0.098 174.545 174.900 -0.756 0.000 1.274 241 G CA -0.155 44.486 45.100 -0.765 0.000 0.849 241 G HN 1.559 nan 8.290 nan 0.000 0.595 242 G N -0.731 107.826 108.800 -0.405 0.000 2.334 242 G HA2 0.675 4.635 3.960 -0.000 0.000 0.315 242 G HA3 0.675 4.635 3.960 -0.000 0.000 0.315 242 G C -0.763 174.045 174.900 -0.154 0.000 1.284 242 G CA 0.644 45.585 45.100 -0.266 0.000 0.985 242 G HN 2.384 nan 8.290 nan 0.000 0.504 243 E N -1.112 119.043 120.200 -0.075 0.000 2.321 243 E HA 0.670 5.020 4.350 -0.000 0.000 0.278 243 E C -1.312 175.279 176.600 -0.014 0.000 0.902 243 E CA -1.068 55.303 56.400 -0.048 0.000 0.758 243 E CB 2.283 31.973 29.700 -0.018 0.000 1.213 243 E HN 0.621 nan 8.360 nan 0.000 0.426 244 I N 2.149 122.702 120.570 -0.029 0.000 2.433 244 I HA 0.473 4.642 4.170 -0.000 0.000 0.292 244 I C -0.183 175.916 176.117 -0.031 0.000 1.001 244 I CA -0.967 60.328 61.300 -0.009 0.000 1.119 244 I CB 1.753 39.756 38.000 0.004 0.000 1.289 244 I HN 0.377 nan 8.210 nan 0.000 0.438 245 R N 4.512 124.998 120.500 -0.022 0.000 2.476 245 R HA 0.365 4.705 4.340 -0.000 0.000 0.305 245 R C -0.932 175.347 176.300 -0.035 0.000 0.965 245 R CA -0.677 55.389 56.100 -0.057 0.000 0.867 245 R CB 2.510 32.764 30.300 -0.076 0.000 1.176 245 R HN 0.574 nan 8.270 nan 0.000 0.447 246 E N 3.019 123.192 120.200 -0.045 0.000 2.183 246 E HA 0.079 4.429 4.350 -0.000 0.000 0.250 246 E C -0.636 175.933 176.600 -0.051 0.000 0.901 246 E CA -0.543 55.836 56.400 -0.035 0.000 0.741 246 E CB 0.999 30.680 29.700 -0.031 0.000 1.182 246 E HN 0.280 nan 8.360 nan 0.000 0.425 247 Q N 2.260 122.037 119.800 -0.039 0.000 2.330 247 Q HA 0.016 4.356 4.340 -0.000 0.000 0.279 247 Q C -0.252 175.723 176.000 -0.041 0.000 1.024 247 Q CA 0.921 56.702 55.803 -0.038 0.000 0.900 247 Q CB 1.198 29.922 28.738 -0.024 0.000 1.221 247 Q HN 0.752 nan 8.270 nan 0.000 0.396 248 N N -0.048 118.627 118.700 -0.042 0.000 2.268 248 N HA 0.081 4.821 4.740 -0.000 0.000 0.256 248 N C -0.343 175.148 175.510 -0.032 0.000 1.090 248 N CA 0.485 53.505 53.050 -0.050 0.000 0.806 248 N CB 0.675 39.114 38.487 -0.080 0.000 1.644 248 N HN 0.737 nan 8.380 nan 0.000 0.544 249 G N 1.858 110.646 108.800 -0.020 0.000 2.540 249 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.260 249 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.260 249 G C -0.692 174.202 174.900 -0.009 0.000 0.993 249 G CA 0.496 45.592 45.100 -0.008 0.000 1.327 249 G HN 0.454 nan 8.290 nan 0.000 0.485 250 D N -0.091 120.308 120.400 -0.001 0.000 2.520 250 D HA 0.315 4.955 4.640 -0.000 0.000 0.223 250 D C 1.466 177.782 176.300 0.026 0.000 1.186 250 D CA 1.306 55.309 54.000 0.005 0.000 0.821 250 D CB 0.498 41.297 40.800 -0.000 0.000 1.072 250 D HN 0.892 nan 8.370 nan 0.000 0.518 251 S N -0.823 114.891 115.700 0.024 0.000 2.156 251 S HA -0.222 4.248 4.470 -0.000 0.000 0.234 251 S C 0.036 174.659 174.600 0.038 0.000 1.141 251 S CA 0.898 59.115 58.200 0.028 0.000 1.592 251 S CB -1.187 62.029 63.200 0.026 0.000 2.054 251 S HN 0.302 nan 8.310 nan 0.000 0.586 252 L N 2.040 123.300 121.223 0.061 0.000 2.341 252 L HA 0.681 5.021 4.340 -0.000 0.000 0.278 252 L C -0.196 176.741 176.870 0.111 0.000 1.005 252 L CA -0.902 53.986 54.840 0.080 0.000 0.818 252 L CB 1.895 44.023 42.059 0.115 0.000 1.259 252 L HN 0.081 nan 8.230 nan 0.000 0.418 253 V N 2.836 122.784 119.914 0.057 0.000 2.439 253 V HA 0.290 4.410 4.120 -0.000 0.000 0.282 253 V C -0.070 176.044 176.094 0.034 0.000 1.039 253 V CA -0.426 61.903 62.300 0.048 0.000 0.913 253 V CB 1.243 33.062 31.823 -0.007 0.000 0.983 253 V HN 0.574 nan 8.190 nan 0.000 0.460 254 H N 3.314 122.340 119.070 -0.073 0.000 2.459 254 H HA 0.737 5.293 4.556 -0.000 0.000 0.332 254 H C -0.140 175.026 175.328 -0.271 0.000 1.094 254 H CA -0.240 55.729 56.048 -0.131 0.000 1.224 254 H CB 2.036 31.772 29.762 -0.044 0.000 1.449 254 H HN 0.763 nan 8.280 nan 0.000 0.484 255 A N 2.168 124.770 122.820 -0.363 0.000 2.515 255 A HA 0.734 5.054 4.320 -0.000 0.000 0.298 255 A C -1.351 175.887 177.584 -0.577 0.000 1.059 255 A CA -0.459 51.361 52.037 -0.361 0.000 0.698 255 A CB 1.709 20.584 19.000 -0.208 0.000 1.289 255 A HN 0.712 nan 8.150 nan 0.000 0.404 256 A N 1.576 124.103 122.820 -0.488 0.000 2.381 256 A HA 0.705 5.025 4.320 -0.000 0.000 0.299 256 A C -1.278 176.043 177.584 -0.438 0.000 1.049 256 A CA -0.270 51.471 52.037 -0.493 0.000 0.715 256 A CB 0.971 19.678 19.000 -0.487 0.000 1.222 256 A HN 1.070 nan 8.150 nan 0.000 0.428 257 L N 3.255 124.119 121.223 -0.597 0.000 2.341 257 L HA 0.845 5.185 4.340 -0.000 0.000 0.278 257 L C -1.256 175.349 176.870 -0.442 0.000 1.005 257 L CA -0.706 53.789 54.840 -0.575 0.000 0.818 257 L CB 1.770 43.294 42.059 -0.892 0.000 1.259 257 L HN 0.572 nan 8.230 nan 0.000 0.418 258 V N 2.961 122.785 119.914 -0.151 0.000 3.178 258 V HA 0.866 4.986 4.120 -0.000 0.000 0.302 258 V C -0.981 175.224 176.094 0.186 0.000 1.262 258 V CA -0.387 61.948 62.300 0.058 0.000 1.030 258 V CB 2.322 34.118 31.823 -0.045 0.000 1.074 258 V HN 0.897 nan 8.190 nan 0.000 0.438 259 A N 1.873 124.880 122.820 0.311 0.000 2.532 259 A HA 0.801 5.121 4.320 -0.000 0.000 0.290 259 A C -0.725 176.853 177.584 -0.011 0.000 1.143 259 A CA -0.602 51.522 52.037 0.146 0.000 0.728 259 A CB 1.643 20.721 19.000 0.130 0.000 1.317 259 A HN 0.814 nan 8.150 nan 0.000 0.414 260 E N 0.240 120.165 120.200 -0.459 0.000 2.360 260 E HA 0.382 4.732 4.350 -0.000 0.000 0.269 260 E C 0.548 177.007 176.600 -0.236 0.000 1.022 260 E CA 0.491 56.567 56.400 -0.540 0.000 0.887 260 E CB 0.521 29.644 29.700 -0.962 0.000 0.990 260 E HN 0.729 nan 8.360 nan 0.000 0.426 261 S N 2.985 118.526 115.700 -0.265 0.000 4.167 261 S HA 0.776 5.246 4.470 -0.000 0.000 0.194 261 S C -0.336 174.089 174.600 -0.292 0.000 1.053 261 S CA -0.344 57.526 58.200 -0.550 0.000 1.663 261 S CB 0.477 62.892 63.200 -1.308 0.000 0.938 261 S HN 0.569 nan 8.310 nan 0.000 0.804 262 A N 0.119 122.749 122.820 -0.316 0.000 2.475 262 A HA 0.873 5.193 4.320 -0.000 0.000 0.301 262 A C -0.181 177.383 177.584 -0.034 0.000 1.059 262 A CA -0.516 51.482 52.037 -0.066 0.000 0.710 262 A CB 0.999 20.032 19.000 0.054 0.000 1.288 262 A HN 1.371 nan 8.150 nan 0.000 0.408 263 A N 1.175 124.006 122.820 0.019 0.000 2.483 263 A HA 0.469 4.789 4.320 -0.000 0.000 0.238 263 A C 0.437 178.030 177.584 0.015 0.000 1.070 263 A CA -0.056 52.003 52.037 0.036 0.000 0.770 263 A CB -0.143 18.892 19.000 0.058 0.000 1.008 263 A HN 1.046 nan 8.150 nan 0.000 0.497 264 I N 1.097 121.672 120.570 0.009 0.000 2.813 264 I HA 0.310 4.480 4.170 -0.000 0.000 0.287 264 I C 1.513 177.630 176.117 -0.000 0.000 1.196 264 I CA 1.907 63.203 61.300 -0.008 0.000 1.421 264 I CB 0.620 38.613 38.000 -0.011 0.000 1.365 264 I HN 1.147 nan 8.210 nan 0.000 0.591 265 G N 3.914 112.704 108.800 -0.018 0.000 2.336 265 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.233 265 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.233 265 G C 0.369 175.259 174.900 -0.017 0.000 1.053 265 G CA 0.240 45.327 45.100 -0.022 0.000 0.625 265 G HN 0.984 nan 8.290 nan 0.000 0.511 266 S N 1.018 116.717 115.700 -0.001 0.000 2.579 266 S HA 0.674 5.144 4.470 -0.000 0.000 0.275 266 S C 1.752 176.352 174.600 0.001 0.000 1.345 266 S CA 0.592 58.795 58.200 0.006 0.000 1.031 266 S CB 1.658 64.872 63.200 0.023 0.000 0.892 266 S HN 1.830 nan 8.310 nan 0.000 0.529 267 A N 1.426 124.244 122.820 -0.003 0.000 1.917 267 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 267 A C 2.110 179.697 177.584 0.005 0.000 1.182 267 A CA 1.880 53.910 52.037 -0.011 0.000 0.633 267 A CB -1.289 17.702 19.000 -0.015 0.000 0.819 267 A HN 1.020 nan 8.150 nan 0.000 0.448 268 E N -0.389 119.830 120.200 0.032 0.000 2.171 268 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 268 E C 2.114 178.805 176.600 0.153 0.000 0.997 268 E CA 0.949 57.395 56.400 0.078 0.000 0.810 268 E CB -0.244 29.529 29.700 0.121 0.000 0.738 268 E HN 0.607 nan 8.360 nan 0.000 0.467 269 A N 1.154 124.040 122.820 0.109 0.000 1.902 269 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 269 A C 1.775 179.411 177.584 0.088 0.000 1.181 269 A CA 1.928 54.030 52.037 0.109 0.000 0.623 269 A CB -0.816 18.202 19.000 0.029 0.000 0.818 269 A HN 0.369 nan 8.150 nan 0.000 0.443 270 N N 0.546 119.257 118.700 0.019 0.000 2.149 270 N HA -0.087 4.653 4.740 -0.000 0.000 0.188 270 N C 1.838 177.334 175.510 -0.024 0.000 1.019 270 N CA 1.386 54.424 53.050 -0.019 0.000 0.857 270 N CB -0.324 38.132 38.487 -0.051 0.000 0.997 270 N HN 0.512 nan 8.380 nan 0.000 0.426 271 A N 0.678 123.474 122.820 -0.041 0.000 1.883 271 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 271 A C 1.836 179.301 177.584 -0.199 0.000 1.186 271 A CA 1.186 53.140 52.037 -0.138 0.000 0.624 271 A CB -0.958 17.918 19.000 -0.208 0.000 0.822 271 A HN 0.233 nan 8.150 nan 0.000 0.444 272 F N 0.822 120.676 119.950 -0.160 0.000 2.171 272 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 272 F C 2.838 178.555 175.800 -0.138 0.000 1.090 272 F CA 1.730 59.569 58.000 -0.268 0.000 1.293 272 F CB -0.319 38.527 39.000 -0.257 0.000 1.013 272 F HN 0.150 nan 8.300 nan 0.000 0.486 273 S N -0.371 115.396 115.700 0.112 0.000 2.368 273 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 273 S C 2.260 176.943 174.600 0.138 0.000 1.030 273 S CA 1.246 59.524 58.200 0.130 0.000 0.999 273 S CB -0.513 62.722 63.200 0.058 0.000 0.844 273 S HN 0.141 nan 8.310 nan 0.000 0.459 274 V N 1.815 121.749 119.914 0.033 0.000 2.515 274 V HA -0.093 4.027 4.120 -0.000 0.000 0.250 274 V C 2.177 178.304 176.094 0.054 0.000 1.058 274 V CA 1.222 63.536 62.300 0.024 0.000 1.064 274 V CB -0.616 31.185 31.823 -0.036 0.000 0.675 274 V HN 0.361 nan 8.190 nan 0.000 0.461 275 L N 0.268 121.476 121.223 -0.025 0.000 2.093 275 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 275 L C 2.450 179.402 176.870 0.137 0.000 1.085 275 L CA 2.071 56.886 54.840 -0.041 0.000 0.755 275 L CB -0.877 40.999 42.059 -0.304 0.000 0.904 275 L HN 0.401 nan 8.230 nan 0.000 0.435 276 Q N -1.314 118.629 119.800 0.238 0.000 2.135 276 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 276 Q C 1.796 177.887 176.000 0.151 0.000 0.981 276 Q CA 2.085 58.078 55.803 0.317 0.000 0.856 276 Q CB -0.119 28.811 28.738 0.320 0.000 0.902 276 Q HN 0.677 nan 8.270 nan 0.000 0.425 277 H N -1.353 117.784 119.070 0.112 0.000 2.535 277 H HA 0.047 4.603 4.556 -0.000 0.000 0.273 277 H C 1.803 177.174 175.328 0.072 0.000 0.983 277 H CA 0.870 56.975 56.048 0.095 0.000 1.238 277 H CB 0.478 30.290 29.762 0.082 0.000 1.412 277 H HN 0.047 nan 8.280 nan 0.000 0.562 278 V N 0.249 120.256 119.914 0.155 0.000 2.379 278 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 278 V C 2.192 178.337 176.094 0.086 0.000 1.044 278 V CA 1.301 63.657 62.300 0.094 0.000 1.036 278 V CB -0.344 31.517 31.823 0.063 0.000 0.664 278 V HN 0.334 nan 8.190 nan 0.000 0.453 279 L N -0.140 121.149 121.223 0.109 0.000 2.007 279 L HA 0.303 4.643 4.340 -0.000 0.000 0.205 279 L C 1.079 178.000 176.870 0.084 0.000 1.073 279 L CA 1.402 56.305 54.840 0.105 0.000 0.744 279 L CB -0.405 41.747 42.059 0.156 0.000 0.898 279 L HN 0.535 nan 8.230 nan 0.000 0.435 280 G N -1.212 107.627 108.800 0.066 0.000 2.404 280 G HA2 0.360 4.319 3.960 -0.000 0.000 0.230 280 G HA3 0.360 4.319 3.960 -0.000 0.000 0.230 280 G C -0.779 174.123 174.900 0.004 0.000 1.516 280 G CA -0.364 44.760 45.100 0.040 0.000 1.026 280 G HN 0.323 nan 8.290 nan 0.000 0.660 281 A N 1.608 124.374 122.820 -0.090 0.000 3.778 281 A HA 1.015 5.335 4.320 -0.000 0.000 0.156 281 A C 1.533 179.114 177.584 -0.005 0.000 1.681 281 A CA 0.581 52.561 52.037 -0.095 0.000 1.240 281 A CB -0.360 18.477 19.000 -0.272 0.000 1.750 281 A HN 2.229 nan 8.150 nan 0.000 0.675 282 G N -0.772 108.018 108.800 -0.016 0.000 2.631 282 G HA2 0.465 4.425 3.960 -0.000 0.000 0.271 282 G HA3 0.465 4.425 3.960 -0.000 0.000 0.271 282 G C -2.525 172.400 174.900 0.042 0.000 1.302 282 G CA -0.518 44.584 45.100 0.003 0.000 1.002 282 G HN 0.526 nan 8.290 nan 0.000 0.519 283 P HA 0.425 nan 4.420 nan 0.000 0.282 283 P C -0.592 176.756 177.300 0.080 0.000 1.259 283 P CA -0.452 62.691 63.100 0.072 0.000 0.826 283 P CB 1.328 33.024 31.700 -0.006 0.000 1.064 284 H N -1.505 117.545 119.070 -0.033 0.000 2.855 284 H HA 0.286 4.842 4.556 -0.000 0.000 0.259 284 H C -0.042 175.273 175.328 -0.021 0.000 0.972 284 H CA 0.328 56.368 56.048 -0.014 0.000 1.213 284 H CB 0.448 30.208 29.762 -0.003 0.000 1.451 284 H HN -0.002 nan 8.280 nan 0.000 0.484 285 V N 1.323 121.289 119.914 0.087 0.000 2.540 285 V HA 0.175 4.295 4.120 -0.000 0.000 0.302 285 V C -0.004 176.089 176.094 -0.003 0.000 1.035 285 V CA -1.426 60.891 62.300 0.030 0.000 0.873 285 V CB 2.319 34.149 31.823 0.011 0.000 0.992 285 V HN 0.101 nan 8.190 nan 0.000 0.428 286 K N 4.258 124.655 120.400 -0.005 0.000 2.436 286 K HA 0.201 4.521 4.320 -0.000 0.000 0.282 286 K C 0.427 177.014 176.600 -0.022 0.000 1.044 286 K CA 0.111 56.390 56.287 -0.013 0.000 1.028 286 K CB -0.020 32.475 32.500 -0.008 0.000 0.919 286 K HN 0.642 nan 8.250 nan 0.000 0.474 287 R N 1.246 121.727 120.500 -0.032 0.000 3.336 287 R HA -0.169 4.171 4.340 -0.000 0.000 0.260 287 R C 0.007 176.277 176.300 -0.051 0.000 1.032 287 R CA 0.451 56.528 56.100 -0.039 0.000 0.693 287 R CB -2.138 28.148 30.300 -0.024 0.000 1.134 287 R HN 0.803 nan 8.270 nan 0.000 0.433 288 G N -0.775 107.980 108.800 -0.075 0.000 2.441 288 G HA2 0.405 4.365 3.960 -0.000 0.000 0.334 288 G HA3 0.405 4.365 3.960 -0.000 0.000 0.334 288 G C 0.739 175.545 174.900 -0.156 0.000 1.161 288 G CA -0.507 44.538 45.100 -0.091 0.000 0.935 288 G HN 0.100 nan 8.290 nan 0.000 0.488 289 S N 0.255 115.874 115.700 -0.134 0.000 2.481 289 S HA -0.049 4.421 4.470 -0.000 0.000 0.231 289 S C 0.899 175.330 174.600 -0.283 0.000 0.996 289 S CA 0.357 58.462 58.200 -0.159 0.000 0.942 289 S CB -0.377 62.783 63.200 -0.067 0.000 0.768 289 S HN 0.796 nan 8.310 nan 0.000 0.520 290 N N 0.374 118.918 118.700 -0.260 0.000 2.726 290 N HA -0.186 4.554 4.740 -0.000 0.000 0.253 290 N C 0.747 176.165 175.510 -0.154 0.000 1.059 290 N CA 0.221 53.105 53.050 -0.276 0.000 0.701 290 N CB -0.949 37.184 38.487 -0.591 0.000 0.899 290 N HN 0.502 nan 8.380 nan 0.000 0.548 291 A N 0.592 123.354 122.820 -0.096 0.000 1.902 291 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 291 A C 2.222 179.786 177.584 -0.034 0.000 1.181 291 A CA 2.140 54.149 52.037 -0.046 0.000 0.623 291 A CB -0.544 18.433 19.000 -0.038 0.000 0.818 291 A HN 0.671 nan 8.150 nan 0.000 0.443 292 T N -2.479 112.039 114.554 -0.060 0.000 3.194 292 T HA 0.167 4.516 4.350 -0.000 0.000 0.251 292 T C 0.713 175.401 174.700 -0.019 0.000 1.132 292 T CA 0.688 62.761 62.100 -0.045 0.000 1.028 292 T CB -0.450 68.372 68.868 -0.078 0.000 0.976 292 T HN 0.305 nan 8.240 nan 0.000 0.535 293 S N 0.665 116.363 115.700 -0.003 0.000 2.409 293 S HA 0.365 4.835 4.470 -0.000 0.000 0.308 293 S C 1.394 176.046 174.600 0.086 0.000 1.080 293 S CA -0.585 57.644 58.200 0.047 0.000 1.081 293 S CB 0.423 63.663 63.200 0.068 0.000 1.009 293 S HN 0.339 nan 8.310 nan 0.000 0.502 294 S N 4.584 120.323 115.700 0.065 0.000 2.380 294 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 294 S C 1.723 176.358 174.600 0.058 0.000 1.043 294 S CA 1.602 59.837 58.200 0.057 0.000 1.038 294 S CB -0.431 62.796 63.200 0.046 0.000 0.872 294 S HN 0.800 nan 8.310 nan 0.000 0.456 295 L N -0.952 120.309 121.223 0.064 0.000 2.027 295 L HA -0.113 4.227 4.340 -0.000 0.000 0.206 295 L C 2.228 179.138 176.870 0.067 0.000 1.074 295 L CA 1.637 56.484 54.840 0.012 0.000 0.745 295 L CB -0.627 41.418 42.059 -0.023 0.000 0.898 295 L HN 0.362 nan 8.230 nan 0.000 0.433 296 Y N 0.664 120.999 120.300 0.058 0.000 2.128 296 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 296 Y C 2.926 178.912 175.900 0.144 0.000 1.154 296 Y CA 1.557 59.750 58.100 0.156 0.000 1.149 296 Y CB 0.081 38.606 38.460 0.108 0.000 0.976 296 Y HN 0.195 nan 8.280 nan 0.000 0.505 297 Q N -0.339 119.637 119.800 0.293 0.000 2.170 297 Q HA -0.155 4.185 4.340 -0.000 0.000 0.203 297 Q C 2.461 178.505 176.000 0.074 0.000 0.976 297 Q CA 1.254 57.168 55.803 0.185 0.000 0.858 297 Q CB -0.743 28.063 28.738 0.114 0.000 0.907 297 Q HN 0.610 nan 8.270 nan 0.000 0.433 298 A N 0.323 123.158 122.820 0.024 0.000 1.898 298 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 298 A C 2.432 179.934 177.584 -0.137 0.000 1.181 298 A CA 1.317 53.324 52.037 -0.050 0.000 0.620 298 A CB -0.481 18.485 19.000 -0.057 0.000 0.819 298 A HN 0.199 nan 8.150 nan 0.000 0.442 299 V N -0.229 119.554 119.914 -0.218 0.000 2.379 299 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 299 V C 3.052 178.836 176.094 -0.517 0.000 1.044 299 V CA 1.688 63.705 62.300 -0.472 0.000 1.036 299 V CB -1.165 30.172 31.823 -0.811 0.000 0.664 299 V HN 0.591 nan 8.190 nan 0.000 0.453 300 A N 0.293 122.975 122.820 -0.231 0.000 1.908 300 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 300 A C 2.311 179.841 177.584 -0.091 0.000 1.181 300 A CA 2.411 54.459 52.037 0.018 0.000 0.627 300 A CB -0.594 18.601 19.000 0.325 0.000 0.818 300 A HN 0.576 nan 8.150 nan 0.000 0.445 301 K N -0.819 119.533 120.400 -0.080 0.000 2.089 301 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 301 K C 1.492 177.993 176.600 -0.165 0.000 1.048 301 K CA 1.835 58.075 56.287 -0.078 0.000 0.926 301 K CB -0.455 32.015 32.500 -0.050 0.000 0.714 301 K HN 0.402 nan 8.250 nan 0.000 0.448 302 G N 0.010 108.664 108.800 -0.244 0.000 3.324 302 G HA2 0.251 4.211 3.960 -0.000 0.000 0.251 302 G HA3 0.251 4.211 3.960 -0.000 0.000 0.251 302 G C -0.741 173.881 174.900 -0.463 0.000 1.072 302 G CA -0.344 44.582 45.100 -0.289 0.000 0.787 302 G HN 0.097 nan 8.290 nan 0.000 0.537 303 V N 2.082 121.658 119.914 -0.563 0.000 2.531 303 V HA 0.367 4.487 4.120 -0.000 0.000 0.301 303 V C -1.006 174.820 176.094 -0.447 0.000 1.034 303 V CA -1.065 60.928 62.300 -0.513 0.000 0.865 303 V CB 1.546 33.050 31.823 -0.533 0.000 0.995 303 V HN 0.343 nan 8.190 nan 0.000 0.424 304 H N 5.349 124.418 119.070 -0.002 0.000 2.690 304 H HA 0.567 5.123 4.556 -0.000 0.000 0.280 304 H C 0.234 175.612 175.328 0.083 0.000 1.138 304 H CA -0.281 55.800 56.048 0.056 0.000 1.241 304 H CB 1.474 31.253 29.762 0.027 0.000 1.394 304 H HN 0.721 nan 8.280 nan 0.000 0.489 305 Q N 0.843 120.785 119.800 0.237 0.000 1.331 305 Q HA -0.156 4.184 4.340 -0.000 0.000 0.279 305 Q C -2.407 173.724 176.000 0.219 0.000 0.919 305 Q CA 0.711 56.645 55.803 0.218 0.000 0.916 305 Q CB -2.029 26.787 28.738 0.130 0.000 2.930 305 Q HN 0.614 nan 8.270 nan 0.000 0.479 306 P HA 0.224 nan 4.420 nan 0.000 0.253 306 P C -0.579 176.823 177.300 0.170 0.000 1.159 306 P CA 1.113 64.263 63.100 0.083 0.000 0.779 306 P CB -0.747 30.987 31.700 0.056 0.000 0.745 307 F N 0.545 120.473 119.950 -0.037 0.000 2.769 307 F HA 0.701 5.228 4.527 -0.000 0.000 0.313 307 F C -2.216 173.534 175.800 -0.083 0.000 1.146 307 F CA -1.158 56.788 58.000 -0.090 0.000 0.934 307 F CB 1.374 40.279 39.000 -0.159 0.000 1.283 307 F HN 0.105 nan 8.300 nan 0.000 0.443 308 D N 1.218 121.693 120.400 0.125 0.000 2.661 308 D HA 0.756 5.396 4.640 -0.000 0.000 0.228 308 D C -1.639 174.787 176.300 0.210 0.000 1.210 308 D CA -0.249 53.787 54.000 0.059 0.000 0.826 308 D CB 2.795 43.634 40.800 0.065 0.000 1.542 308 D HN 0.939 nan 8.370 nan 0.000 0.447 309 V N -0.302 119.736 119.914 0.206 0.000 3.012 309 V HA 0.916 5.036 4.120 -0.000 0.000 0.307 309 V C -0.664 175.559 176.094 0.214 0.000 1.166 309 V CA -0.790 61.623 62.300 0.189 0.000 0.974 309 V CB 1.505 33.382 31.823 0.091 0.000 1.040 309 V HN 0.558 nan 8.190 nan 0.000 0.428 310 S N 1.264 117.089 115.700 0.208 0.000 2.542 310 S HA 0.799 5.269 4.470 -0.000 0.000 0.276 310 S C -0.370 174.355 174.600 0.208 0.000 1.148 310 S CA 0.122 58.431 58.200 0.181 0.000 0.886 310 S CB 1.718 65.010 63.200 0.152 0.000 1.109 310 S HN 2.207 nan 8.310 nan 0.000 0.458 311 A N 2.837 125.745 122.820 0.147 0.000 2.425 311 A HA 0.661 4.981 4.320 -0.000 0.000 0.242 311 A C -0.618 177.049 177.584 0.139 0.000 1.077 311 A CA -0.097 52.012 52.037 0.120 0.000 0.781 311 A CB -0.062 19.022 19.000 0.140 0.000 1.020 311 A HN 1.114 nan 8.150 nan 0.000 0.494 312 F N 1.988 121.856 119.950 -0.137 0.000 2.540 312 F HA 0.573 5.100 4.527 -0.000 0.000 0.317 312 F C -0.329 175.416 175.800 -0.091 0.000 1.104 312 F CA -0.658 57.298 58.000 -0.074 0.000 0.913 312 F CB 1.571 40.548 39.000 -0.039 0.000 1.170 312 F HN 0.662 nan 8.300 nan 0.000 0.450 313 N N 4.720 123.070 118.700 -0.584 0.000 2.519 313 N HA 0.635 5.375 4.740 -0.000 0.000 0.291 313 N C -2.235 172.996 175.510 -0.465 0.000 1.107 313 N CA -0.310 52.599 53.050 -0.234 0.000 0.904 313 N CB 1.702 40.256 38.487 0.112 0.000 1.500 313 N HN 0.846 nan 8.380 nan 0.000 0.510 314 A N 2.159 124.770 122.820 -0.349 0.000 2.393 314 A HA 0.678 4.998 4.320 -0.000 0.000 0.306 314 A C -1.127 176.198 177.584 -0.431 0.000 1.050 314 A CA -0.595 51.195 52.037 -0.412 0.000 0.724 314 A CB 1.885 20.741 19.000 -0.240 0.000 1.248 314 A HN 0.445 nan 8.150 nan 0.000 0.424 315 S N 1.127 116.467 115.700 -0.600 0.000 2.538 315 S HA 0.819 5.289 4.470 -0.000 0.000 0.288 315 S C -1.274 172.978 174.600 -0.580 0.000 1.108 315 S CA -0.318 57.611 58.200 -0.451 0.000 0.971 315 S CB 0.539 63.614 63.200 -0.209 0.000 1.041 315 S HN 0.557 nan 8.310 nan 0.000 0.483 316 Y N 0.891 121.213 120.300 0.037 0.000 2.833 316 Y HA 0.352 4.902 4.550 -0.000 0.000 0.319 316 Y C 2.011 177.921 175.900 0.017 0.000 1.254 316 Y CA -0.514 57.596 58.100 0.016 0.000 1.138 316 Y CB 0.627 39.082 38.460 -0.009 0.000 1.352 316 Y HN 0.680 nan 8.280 nan 0.000 0.546 317 S N -0.275 115.550 115.700 0.208 0.000 2.382 317 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 317 S C 0.518 175.182 174.600 0.106 0.000 1.027 317 S CA 1.875 60.149 58.200 0.122 0.000 0.991 317 S CB -0.378 62.883 63.200 0.102 0.000 0.823 317 S HN 0.803 nan 8.310 nan 0.000 0.469 318 D N -0.598 119.874 120.400 0.120 0.000 2.582 318 D HA 0.469 5.109 4.640 -0.000 0.000 0.246 318 D C 0.111 176.499 176.300 0.147 0.000 1.334 318 D CA -0.113 53.952 54.000 0.109 0.000 0.805 318 D CB 0.198 41.050 40.800 0.086 0.000 1.087 318 D HN 0.327 nan 8.370 nan 0.000 0.499 319 S N -1.494 114.323 115.700 0.194 0.000 2.694 319 S HA 0.745 5.215 4.470 -0.000 0.000 0.273 319 S C -1.558 173.189 174.600 0.246 0.000 1.180 319 S CA -0.150 58.204 58.200 0.256 0.000 0.864 319 S CB 1.156 64.623 63.200 0.445 0.000 1.198 319 S HN 0.616 nan 8.310 nan 0.000 0.499 320 G N 0.623 109.582 108.800 0.265 0.000 2.691 320 G HA2 0.537 4.497 3.960 -0.000 0.000 0.298 320 G HA3 0.537 4.497 3.960 -0.000 0.000 0.298 320 G C -2.331 172.663 174.900 0.157 0.000 1.471 320 G CA -0.622 44.553 45.100 0.125 0.000 0.912 320 G HN 0.698 nan 8.290 nan 0.000 0.553 321 L N 1.598 122.933 121.223 0.186 0.000 2.325 321 L HA 0.677 5.017 4.340 -0.000 0.000 0.281 321 L C -1.009 175.987 176.870 0.211 0.000 1.004 321 L CA -0.814 54.171 54.840 0.241 0.000 0.823 321 L CB 1.838 44.128 42.059 0.385 0.000 1.236 321 L HN 0.558 nan 8.230 nan 0.000 0.415 322 F N 2.487 122.453 119.950 0.028 0.000 2.563 322 F HA 0.908 5.435 4.527 -0.000 0.000 0.316 322 F C 0.215 176.086 175.800 0.118 0.000 1.076 322 F CA 0.065 58.097 58.000 0.054 0.000 0.921 322 F CB 2.157 41.110 39.000 -0.078 0.000 1.209 322 F HN 0.509 nan 8.300 nan 0.000 0.462 323 G N 2.982 110.903 108.800 -1.466 0.000 2.566 323 G HA2 0.338 4.298 3.960 -0.000 0.000 0.138 323 G HA3 0.338 4.298 3.960 -0.000 0.000 0.138 323 G C -1.776 172.643 174.900 -0.802 0.000 1.133 323 G CA -0.080 44.246 45.100 -1.291 0.000 1.037 323 G HN 1.119 nan 8.290 nan 0.000 0.491 324 F N -1.533 118.201 119.950 -0.361 0.000 2.643 324 F HA 0.890 5.417 4.527 -0.000 0.000 0.314 324 F C -1.383 174.411 175.800 -0.010 0.000 1.096 324 F CA -2.000 55.919 58.000 -0.136 0.000 0.953 324 F CB 1.665 40.593 39.000 -0.120 0.000 1.345 324 F HN 0.659 nan 8.300 nan 0.000 0.468 325 Y N 0.669 121.134 120.300 0.276 0.000 2.462 325 Y HA 0.671 5.221 4.550 -0.000 0.000 0.346 325 Y C -0.685 175.323 175.900 0.180 0.000 0.976 325 Y CA -0.382 57.799 58.100 0.134 0.000 1.044 325 Y CB 2.184 40.697 38.460 0.089 0.000 1.230 325 Y HN 0.990 nan 8.280 nan 0.000 0.455 326 T N 3.757 118.370 114.554 0.098 0.000 2.903 326 T HA 0.714 5.064 4.350 -0.000 0.000 0.299 326 T C -1.211 173.455 174.700 -0.057 0.000 1.093 326 T CA -0.740 61.411 62.100 0.086 0.000 1.002 326 T CB 1.703 70.596 68.868 0.042 0.000 1.127 326 T HN 0.538 nan 8.240 nan 0.000 0.488 327 I N 2.426 122.975 120.570 -0.035 0.000 2.499 327 I HA 0.638 4.808 4.170 -0.000 0.000 0.288 327 I C -0.376 175.720 176.117 -0.035 0.000 1.048 327 I CA -0.460 60.732 61.300 -0.180 0.000 1.062 327 I CB 2.061 39.930 38.000 -0.219 0.000 1.238 327 I HN 1.106 nan 8.210 nan 0.000 0.426 328 S N 4.658 120.336 115.700 -0.037 0.000 2.615 328 S HA 0.414 4.884 4.470 -0.000 0.000 0.268 328 S C -1.353 173.252 174.600 0.010 0.000 1.146 328 S CA -1.149 57.065 58.200 0.022 0.000 0.818 328 S CB 1.731 64.930 63.200 -0.001 0.000 1.111 328 S HN 0.435 nan 8.310 nan 0.000 0.465 329 Q N 0.752 120.563 119.800 0.019 0.000 2.386 329 Q HA 0.266 4.606 4.340 -0.000 0.000 0.282 329 Q C 1.786 177.778 176.000 -0.014 0.000 1.050 329 Q CA 0.673 56.480 55.803 0.006 0.000 0.918 329 Q CB 0.376 29.116 28.738 0.003 0.000 1.266 329 Q HN 1.018 nan 8.270 nan 0.000 0.423 330 A N 2.804 125.621 122.820 -0.005 0.000 1.915 330 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 330 A C 1.910 179.479 177.584 -0.026 0.000 1.198 330 A CA 2.515 54.554 52.037 0.004 0.000 0.647 330 A CB -0.664 18.352 19.000 0.028 0.000 0.825 330 A HN 0.813 nan 8.150 nan 0.000 0.456 331 A N -1.714 121.035 122.820 -0.118 0.000 2.119 331 A HA 0.183 4.503 4.320 -0.000 0.000 0.216 331 A C 2.107 179.560 177.584 -0.219 0.000 1.152 331 A CA 1.497 53.336 52.037 -0.331 0.000 0.708 331 A CB -0.301 18.467 19.000 -0.386 0.000 0.805 331 A HN 0.413 nan 8.150 nan 0.000 0.460 332 S N -0.734 114.896 115.700 -0.116 0.000 2.535 332 S HA 0.324 4.794 4.470 -0.000 0.000 0.214 332 S C 2.006 176.555 174.600 -0.085 0.000 0.980 332 S CA 0.408 58.548 58.200 -0.100 0.000 0.907 332 S CB 0.101 63.246 63.200 -0.091 0.000 0.790 332 S HN 0.715 nan 8.310 nan 0.000 0.510 333 A N 1.971 124.758 122.820 -0.055 0.000 1.892 333 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 333 A C 2.272 179.833 177.584 -0.038 0.000 1.188 333 A CA 2.005 54.015 52.037 -0.046 0.000 0.631 333 A CB -1.494 17.488 19.000 -0.030 0.000 0.822 333 A HN 0.515 nan 8.150 nan 0.000 0.447 334 G N -0.370 108.424 108.800 -0.010 0.000 2.446 334 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 334 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 334 G C 1.178 176.067 174.900 -0.019 0.000 1.168 334 G CA 1.264 46.366 45.100 0.003 0.000 0.771 334 G HN 0.506 nan 8.290 nan 0.000 0.551 335 D N 0.229 120.598 120.400 -0.052 0.000 2.117 335 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 335 D C 2.811 179.027 176.300 -0.141 0.000 0.982 335 D CA 0.793 54.741 54.000 -0.087 0.000 0.828 335 D CB -0.520 40.217 40.800 -0.105 0.000 0.967 335 D HN 0.202 nan 8.370 nan 0.000 0.464 336 V N 1.569 121.376 119.914 -0.178 0.000 2.287 336 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 336 V C 2.593 178.581 176.094 -0.178 0.000 1.053 336 V CA 1.241 63.386 62.300 -0.258 0.000 1.027 336 V CB -0.411 31.253 31.823 -0.265 0.000 0.646 336 V HN 0.167 nan 8.190 nan 0.000 0.447 337 I N -0.426 120.107 120.570 -0.062 0.000 2.179 337 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 337 I C 2.548 178.720 176.117 0.091 0.000 1.088 337 I CA 1.730 63.069 61.300 0.065 0.000 1.357 337 I CB -0.457 37.610 38.000 0.112 0.000 1.051 337 I HN 0.277 nan 8.210 nan 0.000 0.409 338 K N 0.865 121.300 120.400 0.059 0.000 2.097 338 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 338 K C 2.247 178.874 176.600 0.045 0.000 1.049 338 K CA 1.463 57.811 56.287 0.102 0.000 0.933 338 K CB -0.262 32.280 32.500 0.071 0.000 0.717 338 K HN 0.327 nan 8.250 nan 0.000 0.442 339 A N 1.572 124.353 122.820 -0.065 0.000 1.898 339 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 339 A C 2.394 179.890 177.584 -0.146 0.000 1.181 339 A CA 1.674 53.642 52.037 -0.115 0.000 0.620 339 A CB -0.652 18.233 19.000 -0.191 0.000 0.819 339 A HN 0.311 nan 8.150 nan 0.000 0.442 340 A N -1.338 121.322 122.820 -0.266 0.000 1.877 340 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 340 A C 2.177 179.585 177.584 -0.295 0.000 1.186 340 A CA 1.760 53.482 52.037 -0.525 0.000 0.620 340 A CB -0.887 17.392 19.000 -1.202 0.000 0.822 340 A HN 0.638 nan 8.150 nan 0.000 0.443 341 Y N 1.446 121.674 120.300 -0.121 0.000 2.165 341 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 341 Y C 2.051 178.050 175.900 0.165 0.000 1.155 341 Y CA 1.693 59.968 58.100 0.291 0.000 1.164 341 Y CB -0.976 37.698 38.460 0.357 0.000 0.978 341 Y HN 0.501 nan 8.280 nan 0.000 0.513 342 N N -0.556 118.190 118.700 0.078 0.000 2.289 342 N HA -0.222 4.518 4.740 -0.000 0.000 0.184 342 N C 1.746 177.245 175.510 -0.018 0.000 1.016 342 N CA 0.838 53.862 53.050 -0.043 0.000 0.872 342 N CB -0.184 38.281 38.487 -0.038 0.000 0.973 342 N HN 0.306 nan 8.380 nan 0.000 0.433 343 Q N 1.319 121.116 119.800 -0.006 0.000 2.079 343 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 343 Q C 1.836 177.867 176.000 0.051 0.000 0.974 343 Q CA 1.323 57.126 55.803 -0.002 0.000 0.840 343 Q CB -0.298 28.419 28.738 -0.036 0.000 0.898 343 Q HN 0.131 nan 8.270 nan 0.000 0.430 344 V N 0.854 120.845 119.914 0.129 0.000 2.343 344 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 344 V C 2.242 178.436 176.094 0.166 0.000 1.051 344 V CA 2.200 64.632 62.300 0.221 0.000 1.036 344 V CB -0.564 31.531 31.823 0.453 0.000 0.654 344 V HN 0.373 nan 8.190 nan 0.000 0.451 345 K N -0.408 120.042 120.400 0.082 0.000 2.074 345 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 345 K C 2.289 178.895 176.600 0.010 0.000 1.048 345 K CA 2.044 58.329 56.287 -0.003 0.000 0.926 345 K CB -0.505 31.918 32.500 -0.129 0.000 0.713 345 K HN 0.414 nan 8.250 nan 0.000 0.444 346 T N 1.289 115.848 114.554 0.007 0.000 2.759 346 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 346 T C 1.689 176.398 174.700 0.015 0.000 1.042 346 T CA 1.108 63.210 62.100 0.004 0.000 1.140 346 T CB -0.107 68.761 68.868 0.001 0.000 0.864 346 T HN 0.171 nan 8.240 nan 0.000 0.455 347 I N 0.726 121.316 120.570 0.034 0.000 2.439 347 I HA -0.043 4.127 4.170 -0.000 0.000 0.251 347 I C 2.707 178.839 176.117 0.025 0.000 1.139 347 I CA 0.780 62.098 61.300 0.030 0.000 1.438 347 I CB -0.385 37.642 38.000 0.045 0.000 1.085 347 I HN 0.168 nan 8.210 nan 0.000 0.427 348 A N -0.015 122.831 122.820 0.044 0.000 2.119 348 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 348 A C 1.996 179.589 177.584 0.015 0.000 1.152 348 A CA 0.819 52.878 52.037 0.038 0.000 0.708 348 A CB -0.310 18.735 19.000 0.075 0.000 0.805 348 A HN 0.440 nan 8.150 nan 0.000 0.460 349 Q N -1.465 118.340 119.800 0.008 0.000 2.280 349 Q HA 0.300 4.640 4.340 -0.000 0.000 0.202 349 Q C 1.076 177.074 176.000 -0.004 0.000 0.903 349 Q CA 0.365 56.168 55.803 -0.001 0.000 0.948 349 Q CB 0.250 28.984 28.738 -0.007 0.000 1.058 349 Q HN 0.795 nan 8.270 nan 0.000 0.493 350 G N 0.961 109.758 108.800 -0.004 0.000 2.213 350 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 350 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 350 G C -0.019 174.878 174.900 -0.006 0.000 0.991 350 G CA -0.212 44.883 45.100 -0.007 0.000 0.629 350 G HN 0.392 nan 8.290 nan 0.000 0.517 351 N N 0.665 119.363 118.700 -0.003 0.000 3.103 351 N HA 0.498 5.238 4.740 -0.000 0.000 0.305 351 N C -0.449 175.061 175.510 -0.001 0.000 1.232 351 N CA 0.295 53.343 53.050 -0.002 0.000 1.190 351 N CB 0.570 39.056 38.487 -0.001 0.000 1.461 351 N HN 0.484 nan 8.380 nan 0.000 0.538 352 L N -0.434 120.787 121.223 -0.004 0.000 2.408 352 L HA 0.517 4.857 4.340 -0.000 0.000 0.268 352 L C 0.400 177.266 176.870 -0.007 0.000 0.986 352 L CA -0.399 54.438 54.840 -0.005 0.000 0.820 352 L CB 1.817 43.870 42.059 -0.010 0.000 1.303 352 L HN 0.095 nan 8.230 nan 0.000 0.411 353 S N 2.291 117.988 115.700 -0.005 0.000 2.207 353 S HA 0.251 4.721 4.470 -0.000 0.000 0.226 353 S C 0.667 175.261 174.600 -0.009 0.000 1.286 353 S CA 0.530 58.727 58.200 -0.006 0.000 1.004 353 S CB 0.260 63.458 63.200 -0.004 0.000 0.907 353 S HN 0.900 nan 8.310 nan 0.000 0.443 354 N N -0.239 118.456 118.700 -0.008 0.000 2.441 354 N HA 0.160 4.900 4.740 -0.000 0.000 0.257 354 N C -1.760 173.744 175.510 -0.009 0.000 1.058 354 N CA -0.021 53.022 53.050 -0.010 0.000 0.853 354 N CB -0.371 38.110 38.487 -0.011 0.000 1.694 354 N HN 0.265 nan 8.380 nan 0.000 0.542 355 P HA -0.033 nan 4.420 nan 0.000 0.222 355 P C 0.381 177.679 177.300 -0.004 0.000 1.147 355 P CA 1.135 64.231 63.100 -0.006 0.000 0.790 355 P CB 0.104 31.801 31.700 -0.006 0.000 0.780 356 D N -0.166 120.232 120.400 -0.002 0.000 2.097 356 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 356 D C 2.145 178.449 176.300 0.007 0.000 0.984 356 D CA 0.932 54.934 54.000 0.003 0.000 0.826 356 D CB -0.765 40.039 40.800 0.006 0.000 0.973 356 D HN 0.001 nan 8.370 nan 0.000 0.460 357 V N 0.745 120.659 119.914 -0.001 0.000 2.407 357 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 357 V C 2.469 178.560 176.094 -0.006 0.000 1.055 357 V CA 1.367 63.664 62.300 -0.005 0.000 1.049 357 V CB -0.474 31.339 31.823 -0.017 0.000 0.662 357 V HN 0.073 nan 8.190 nan 0.000 0.455 358 Q N 0.507 120.302 119.800 -0.007 0.000 2.084 358 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 358 Q C 2.225 178.223 176.000 -0.004 0.000 0.978 358 Q CA 2.180 57.978 55.803 -0.008 0.000 0.844 358 Q CB -0.667 28.066 28.738 -0.008 0.000 0.898 358 Q HN 0.618 nan 8.270 nan 0.000 0.426 359 A N -0.160 122.660 122.820 0.001 0.000 1.930 359 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 359 A C 2.215 179.812 177.584 0.021 0.000 1.175 359 A CA 1.696 53.736 52.037 0.004 0.000 0.627 359 A CB -0.981 18.017 19.000 -0.004 0.000 0.815 359 A HN 0.450 nan 8.150 nan 0.000 0.443 360 A N -0.099 122.741 122.820 0.032 0.000 1.873 360 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 360 A C 2.103 179.687 177.584 -0.000 0.000 1.186 360 A CA 1.762 53.840 52.037 0.068 0.000 0.616 360 A CB -0.458 18.594 19.000 0.086 0.000 0.823 360 A HN 0.511 nan 8.150 nan 0.000 0.442 361 K N -0.170 120.218 120.400 -0.020 0.000 2.044 361 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 361 K C 1.828 178.400 176.600 -0.047 0.000 1.049 361 K CA 1.940 58.199 56.287 -0.048 0.000 0.927 361 K CB -0.381 32.098 32.500 -0.035 0.000 0.713 361 K HN 0.646 nan 8.250 nan 0.000 0.443 362 N N 0.402 119.092 118.700 -0.016 0.000 2.166 362 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 362 N C 1.612 177.133 175.510 0.018 0.000 1.019 362 N CA 0.857 53.908 53.050 0.001 0.000 0.856 362 N CB 0.056 38.550 38.487 0.012 0.000 0.993 362 N HN 0.163 nan 8.380 nan 0.000 0.426 363 K N 0.610 121.031 120.400 0.035 0.000 2.057 363 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 363 K C 1.985 178.560 176.600 -0.041 0.000 1.050 363 K CA 0.715 57.083 56.287 0.134 0.000 0.935 363 K CB -0.197 32.503 32.500 0.334 0.000 0.715 363 K HN 0.076 nan 8.250 nan 0.000 0.439 364 L N 2.135 123.141 121.223 -0.363 0.000 2.017 364 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 364 L C 1.822 178.611 176.870 -0.135 0.000 1.073 364 L CA 1.866 56.398 54.840 -0.514 0.000 0.745 364 L CB -0.281 41.465 42.059 -0.522 0.000 0.894 364 L HN 0.009 nan 8.230 nan 0.000 0.432 365 K N -0.399 119.961 120.400 -0.067 0.000 2.026 365 K HA -0.086 4.234 4.320 -0.000 0.000 0.208 365 K C 2.095 178.737 176.600 0.070 0.000 1.048 365 K CA 1.357 57.659 56.287 0.024 0.000 0.929 365 K CB -0.499 32.007 32.500 0.010 0.000 0.713 365 K HN 0.468 nan 8.250 nan 0.000 0.439 366 A N 1.448 124.295 122.820 0.045 0.000 1.940 366 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 366 A C 2.443 180.061 177.584 0.057 0.000 1.176 366 A CA 2.004 54.074 52.037 0.055 0.000 0.631 366 A CB -1.202 17.836 19.000 0.064 0.000 0.814 366 A HN 0.447 nan 8.150 nan 0.000 0.446 367 G N -1.912 106.927 108.800 0.064 0.000 2.408 367 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 367 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 367 G C 1.539 176.492 174.900 0.088 0.000 1.150 367 G CA 1.228 46.370 45.100 0.070 0.000 0.776 367 G HN 0.581 nan 8.290 nan 0.000 0.542 368 Y N 1.157 121.453 120.300 -0.005 0.000 2.163 368 Y HA 0.016 4.566 4.550 -0.000 0.000 0.288 368 Y C 2.553 178.468 175.900 0.026 0.000 1.136 368 Y CA 1.242 59.345 58.100 0.005 0.000 1.147 368 Y CB -0.367 38.085 38.460 -0.013 0.000 0.987 368 Y HN 0.100 nan 8.280 nan 0.000 0.509 369 L N -0.611 120.588 121.223 -0.039 0.000 2.079 369 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 369 L C 2.580 179.383 176.870 -0.112 0.000 1.081 369 L CA 1.801 56.576 54.840 -0.108 0.000 0.752 369 L CB -0.506 41.561 42.059 0.014 0.000 0.896 369 L HN 0.309 nan 8.230 nan 0.000 0.433 370 M N -1.107 118.461 119.600 -0.054 0.000 2.175 370 M HA -0.203 4.277 4.480 -0.000 0.000 0.264 370 M C 2.548 178.814 176.300 -0.057 0.000 1.063 370 M CA 1.744 57.021 55.300 -0.038 0.000 1.119 370 M CB -0.221 32.371 32.600 -0.012 0.000 1.377 370 M HN 0.239 nan 8.290 nan 0.000 0.415 371 S N 0.033 115.681 115.700 -0.085 0.000 2.442 371 S HA -0.061 4.409 4.470 -0.000 0.000 0.236 371 S C 1.240 175.783 174.600 -0.094 0.000 1.007 371 S CA 1.213 59.368 58.200 -0.076 0.000 0.965 371 S CB -0.354 62.813 63.200 -0.055 0.000 0.773 371 S HN 0.418 nan 8.310 nan 0.000 0.504 372 V N -1.180 118.645 119.914 -0.149 0.000 3.043 372 V HA 0.507 4.627 4.120 -0.000 0.000 0.357 372 V C 1.246 177.359 176.094 0.031 0.000 1.372 372 V CA 0.078 62.365 62.300 -0.022 0.000 1.214 372 V CB -0.269 31.547 31.823 -0.012 0.000 1.224 372 V HN 0.310 nan 8.190 nan 0.000 0.507 373 E N 2.150 122.344 120.200 -0.009 0.000 2.106 373 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 373 E C 1.335 177.931 176.600 -0.007 0.000 0.984 373 E CA 1.229 57.621 56.400 -0.013 0.000 0.806 373 E CB 0.183 29.874 29.700 -0.014 0.000 0.750 373 E HN 0.904 nan 8.360 nan 0.000 0.458 374 S N -1.784 113.928 115.700 0.019 0.000 2.704 374 S HA 0.334 4.804 4.470 -0.000 0.000 0.305 374 S C 0.950 175.589 174.600 0.065 0.000 1.107 374 S CA -0.446 57.767 58.200 0.023 0.000 0.993 374 S CB 1.814 65.029 63.200 0.025 0.000 1.110 374 S HN 0.029 nan 8.310 nan 0.000 0.534 375 S N 0.896 116.628 115.700 0.054 0.000 2.354 375 S HA -0.199 4.271 4.470 -0.000 0.000 0.219 375 S C 1.745 176.429 174.600 0.140 0.000 1.035 375 S CA 1.627 59.886 58.200 0.098 0.000 1.037 375 S CB -0.905 62.331 63.200 0.059 0.000 0.956 375 S HN 0.913 nan 8.310 nan 0.000 0.428 376 E N 1.026 121.284 120.200 0.096 0.000 2.114 376 E HA -0.201 4.149 4.350 -0.000 0.000 0.199 376 E C 2.122 178.786 176.600 0.105 0.000 1.008 376 E CA 1.443 57.900 56.400 0.094 0.000 0.810 376 E CB -0.596 29.142 29.700 0.062 0.000 0.739 376 E HN 0.519 nan 8.360 nan 0.000 0.456 377 G N -0.100 108.758 108.800 0.096 0.000 2.402 377 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 377 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 377 G C 1.335 176.295 174.900 0.100 0.000 1.162 377 G CA 0.574 45.721 45.100 0.079 0.000 0.777 377 G HN 0.371 nan 8.290 nan 0.000 0.539 378 F N 0.948 120.890 119.950 -0.012 0.000 2.075 378 F HA -0.006 4.521 4.527 -0.000 0.000 0.297 378 F C 2.377 178.176 175.800 -0.001 0.000 1.113 378 F CA 1.378 59.369 58.000 -0.016 0.000 1.218 378 F CB -0.433 38.554 39.000 -0.022 0.000 0.984 378 F HN 0.095 nan 8.300 nan 0.000 0.472 379 L N 0.692 121.984 121.223 0.115 0.000 2.012 379 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 379 L C 2.138 178.983 176.870 -0.041 0.000 1.073 379 L CA 2.467 57.327 54.840 0.033 0.000 0.748 379 L CB -0.906 41.267 42.059 0.190 0.000 0.891 379 L HN 0.299 nan 8.230 nan 0.000 0.431 380 D N -1.035 119.411 120.400 0.078 0.000 2.144 380 D HA -0.264 4.376 4.640 -0.000 0.000 0.199 380 D C 2.052 178.286 176.300 -0.110 0.000 0.984 380 D CA 1.273 55.346 54.000 0.122 0.000 0.834 380 D CB 0.012 40.915 40.800 0.172 0.000 0.955 380 D HN 0.460 nan 8.370 nan 0.000 0.465 381 E N -0.225 119.897 120.200 -0.130 0.000 2.106 381 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 381 E C 1.958 178.421 176.600 -0.227 0.000 0.984 381 E CA 1.123 57.447 56.400 -0.126 0.000 0.806 381 E CB -0.294 29.354 29.700 -0.086 0.000 0.750 381 E HN 0.215 nan 8.360 nan 0.000 0.458 382 V N 0.295 119.954 119.914 -0.424 0.000 2.453 382 V HA -0.061 4.059 4.120 -0.000 0.000 0.247 382 V C 2.297 178.132 176.094 -0.432 0.000 1.048 382 V CA 1.667 63.721 62.300 -0.410 0.000 1.049 382 V CB -0.979 30.473 31.823 -0.617 0.000 0.672 382 V HN 0.491 nan 8.190 nan 0.000 0.457 383 G N -0.003 108.281 108.800 -0.860 0.000 2.433 383 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 383 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 383 G C 1.822 176.288 174.900 -0.724 0.000 1.186 383 G CA 1.229 45.400 45.100 -1.548 0.000 0.779 383 G HN 0.520 nan 8.290 nan 0.000 0.543 384 S N 0.280 115.708 115.700 -0.455 0.000 2.399 384 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 384 S C 2.296 176.857 174.600 -0.064 0.000 1.022 384 S CA 1.211 59.340 58.200 -0.118 0.000 0.983 384 S CB -0.217 62.966 63.200 -0.028 0.000 0.803 384 S HN 0.483 nan 8.310 nan 0.000 0.480 385 Q N 0.667 120.421 119.800 -0.078 0.000 2.079 385 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 385 Q C 2.588 178.612 176.000 0.040 0.000 0.974 385 Q CA 1.306 57.108 55.803 -0.003 0.000 0.840 385 Q CB -0.368 28.394 28.738 0.039 0.000 0.898 385 Q HN 0.613 nan 8.270 nan 0.000 0.430 386 A N 0.579 123.423 122.820 0.040 0.000 1.908 386 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 386 A C 1.934 179.573 177.584 0.091 0.000 1.181 386 A CA 1.196 53.314 52.037 0.135 0.000 0.627 386 A CB -0.390 18.645 19.000 0.057 0.000 0.818 386 A HN 0.222 nan 8.150 nan 0.000 0.445 387 L N -0.773 120.475 121.223 0.042 0.000 2.049 387 L HA 0.043 4.383 4.340 -0.000 0.000 0.203 387 L C 2.988 179.897 176.870 0.066 0.000 1.074 387 L CA 1.850 56.727 54.840 0.062 0.000 0.749 387 L CB -1.385 40.719 42.059 0.076 0.000 0.907 387 L HN 0.377 nan 8.230 nan 0.000 0.439 388 A N -1.098 121.755 122.820 0.055 0.000 1.902 388 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 388 A C 2.216 179.828 177.584 0.046 0.000 1.181 388 A CA 2.062 54.131 52.037 0.053 0.000 0.623 388 A CB -0.553 18.471 19.000 0.040 0.000 0.818 388 A HN 0.399 nan 8.150 nan 0.000 0.443 389 A N -3.347 119.499 122.820 0.042 0.000 2.211 389 A HA 0.466 4.785 4.320 -0.000 0.000 0.208 389 A C 1.722 179.339 177.584 0.054 0.000 1.250 389 A CA 1.082 53.137 52.037 0.030 0.000 0.935 389 A CB -0.230 18.766 19.000 -0.006 0.000 0.982 389 A HN 1.933 nan 8.150 nan 0.000 0.490 390 G N -0.545 108.324 108.800 0.115 0.000 2.147 390 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.244 390 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.244 390 G C 0.143 175.169 174.900 0.210 0.000 1.005 390 G CA 0.534 45.760 45.100 0.209 0.000 0.713 390 G HN 1.068 nan 8.290 nan 0.000 0.515 391 S N -1.764 113.944 115.700 0.014 0.000 2.671 391 S HA 0.698 5.168 4.470 -0.000 0.000 0.277 391 S C -1.282 173.079 174.600 -0.398 0.000 1.165 391 S CA -0.685 57.250 58.200 -0.442 0.000 0.822 391 S CB 2.206 65.249 63.200 -0.262 0.000 1.150 391 S HN 0.905 nan 8.310 nan 0.000 0.479 392 Y N 1.210 121.087 120.300 -0.706 0.000 2.331 392 Y HA 0.528 5.078 4.550 -0.000 0.000 0.334 392 Y C -0.890 174.882 175.900 -0.213 0.000 0.960 392 Y CA -0.314 57.588 58.100 -0.330 0.000 1.130 392 Y CB 1.219 39.550 38.460 -0.215 0.000 1.164 392 Y HN 0.557 nan 8.280 nan 0.000 0.458 393 T N 9.006 123.115 114.554 -0.741 0.000 2.770 393 T HA 0.331 4.681 4.350 -0.000 0.000 0.297 393 T C -2.672 171.538 174.700 -0.818 0.000 0.997 393 T CA -1.471 60.262 62.100 -0.612 0.000 0.949 393 T CB 0.957 69.632 68.868 -0.323 0.000 0.941 393 T HN 0.449 nan 8.240 nan 0.000 0.457 394 P HA 0.164 nan 4.420 nan 0.000 0.269 394 P C -1.868 175.360 177.300 -0.120 0.000 1.215 394 P CA -1.431 61.438 63.100 -0.384 0.000 0.780 394 P CB 0.136 31.743 31.700 -0.154 0.000 0.898 395 P HA -0.184 nan 4.420 nan 0.000 0.217 395 P C 1.168 178.509 177.300 0.069 0.000 1.148 395 P CA 1.690 64.892 63.100 0.170 0.000 0.828 395 P CB -0.271 31.538 31.700 0.181 0.000 0.783 396 S N -0.952 114.763 115.700 0.023 0.000 2.368 396 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 396 S C 2.076 176.657 174.600 -0.030 0.000 1.030 396 S CA 2.018 60.219 58.200 0.002 0.000 0.999 396 S CB -1.616 61.583 63.200 -0.003 0.000 0.844 396 S HN 0.354 nan 8.310 nan 0.000 0.459 397 T N 0.853 115.369 114.554 -0.063 0.000 3.043 397 T HA 0.091 4.441 4.350 -0.000 0.000 0.263 397 T C 1.708 176.345 174.700 -0.106 0.000 1.094 397 T CA 0.647 62.696 62.100 -0.085 0.000 1.127 397 T CB -0.393 68.415 68.868 -0.101 0.000 0.905 397 T HN 0.136 nan 8.240 nan 0.000 0.490 398 V N 1.550 121.388 119.914 -0.126 0.000 2.358 398 V HA -0.017 4.103 4.120 -0.000 0.000 0.246 398 V C 2.722 178.725 176.094 -0.151 0.000 1.047 398 V CA 1.550 63.731 62.300 -0.197 0.000 1.035 398 V CB -0.541 31.078 31.823 -0.340 0.000 0.658 398 V HN 0.519 nan 8.190 nan 0.000 0.452 399 L N -0.306 120.872 121.223 -0.076 0.000 2.141 399 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 399 L C 2.572 179.410 176.870 -0.054 0.000 1.094 399 L CA 1.908 56.720 54.840 -0.047 0.000 0.763 399 L CB -0.625 41.434 42.059 -0.001 0.000 0.908 399 L HN 0.451 nan 8.230 nan 0.000 0.437 400 Q N 0.188 119.954 119.800 -0.056 0.000 2.119 400 Q HA -0.235 4.105 4.340 -0.000 0.000 0.201 400 Q C 2.147 178.110 176.000 -0.063 0.000 0.972 400 Q CA 1.379 57.151 55.803 -0.052 0.000 0.847 400 Q CB 0.077 28.786 28.738 -0.049 0.000 0.903 400 Q HN 0.530 nan 8.270 nan 0.000 0.433 401 Q N 0.130 119.880 119.800 -0.083 0.000 2.119 401 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 401 Q C 2.055 178.005 176.000 -0.084 0.000 0.972 401 Q CA 1.437 57.188 55.803 -0.087 0.000 0.847 401 Q CB 0.043 28.713 28.738 -0.113 0.000 0.903 401 Q HN 0.464 nan 8.270 nan 0.000 0.433 402 I N 0.770 121.284 120.570 -0.094 0.000 2.252 402 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 402 I C 1.534 177.612 176.117 -0.065 0.000 1.102 402 I CA 0.892 62.140 61.300 -0.087 0.000 1.385 402 I CB -0.195 37.746 38.000 -0.098 0.000 1.064 402 I HN 0.182 nan 8.210 nan 0.000 0.414 403 D N 1.176 121.542 120.400 -0.056 0.000 2.178 403 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 403 D C 2.210 178.485 176.300 -0.042 0.000 0.980 403 D CA 1.455 55.428 54.000 -0.044 0.000 0.842 403 D CB -0.006 40.772 40.800 -0.036 0.000 0.948 403 D HN 0.342 nan 8.370 nan 0.000 0.472 404 A N 0.783 123.575 122.820 -0.046 0.000 2.070 404 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 404 A C 1.306 178.864 177.584 -0.044 0.000 1.159 404 A CA 0.238 52.250 52.037 -0.042 0.000 0.656 404 A CB -0.243 18.731 19.000 -0.042 0.000 0.800 404 A HN 0.070 nan 8.150 nan 0.000 0.453 405 V N 1.025 120.909 119.914 -0.050 0.000 2.475 405 V HA 0.268 4.388 4.120 -0.000 0.000 0.292 405 V C 0.912 176.976 176.094 -0.050 0.000 1.003 405 V CA 0.094 62.361 62.300 -0.055 0.000 1.120 405 V CB -0.363 31.422 31.823 -0.062 0.000 0.937 405 V HN 0.543 nan 8.190 nan 0.000 0.476 406 A N 4.088 126.878 122.820 -0.050 0.000 2.252 406 A HA 0.452 4.772 4.320 -0.000 0.000 0.305 406 A C 1.028 178.581 177.584 -0.051 0.000 1.097 406 A CA -0.501 51.510 52.037 -0.044 0.000 0.849 406 A CB 0.319 19.296 19.000 -0.039 0.000 1.142 406 A HN 0.774 nan 8.150 nan 0.000 0.499 407 D N 0.559 120.933 120.400 -0.042 0.000 2.123 407 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 407 D C 2.090 178.358 176.300 -0.052 0.000 0.992 407 D CA 2.187 56.161 54.000 -0.043 0.000 0.833 407 D CB -0.333 40.447 40.800 -0.032 0.000 0.954 407 D HN 0.604 nan 8.370 nan 0.000 0.455 408 A N 0.876 123.668 122.820 -0.047 0.000 2.019 408 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 408 A C 1.698 179.239 177.584 -0.071 0.000 1.164 408 A CA 1.522 53.528 52.037 -0.051 0.000 0.644 408 A CB -0.288 18.689 19.000 -0.039 0.000 0.805 408 A HN 0.085 nan 8.150 nan 0.000 0.449 409 D N -0.051 120.301 120.400 -0.079 0.000 2.117 409 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 409 D C 2.106 178.306 176.300 -0.166 0.000 0.982 409 D CA 1.483 55.419 54.000 -0.107 0.000 0.828 409 D CB -0.462 40.282 40.800 -0.093 0.000 0.967 409 D HN 0.253 nan 8.370 nan 0.000 0.464 410 V N 1.554 121.377 119.914 -0.151 0.000 2.295 410 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 410 V C 2.597 178.582 176.094 -0.182 0.000 1.049 410 V CA 1.226 63.414 62.300 -0.187 0.000 1.024 410 V CB -0.458 31.293 31.823 -0.120 0.000 0.648 410 V HN 0.124 nan 8.190 nan 0.000 0.447 411 I N 0.496 120.998 120.570 -0.113 0.000 2.127 411 I HA -0.262 3.908 4.170 -0.000 0.000 0.241 411 I C 2.419 178.478 176.117 -0.096 0.000 1.075 411 I CA 1.701 62.952 61.300 -0.081 0.000 1.334 411 I CB -0.662 37.308 38.000 -0.049 0.000 1.040 411 I HN 0.333 nan 8.210 nan 0.000 0.405 412 N N 1.043 119.679 118.700 -0.107 0.000 2.137 412 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 412 N C 1.870 177.279 175.510 -0.167 0.000 1.017 412 N CA 1.776 54.766 53.050 -0.101 0.000 0.859 412 N CB -0.451 37.987 38.487 -0.081 0.000 1.002 412 N HN 0.441 nan 8.380 nan 0.000 0.428 413 A N 0.906 123.504 122.820 -0.370 0.000 1.930 413 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 413 A C 2.398 179.759 177.584 -0.372 0.000 1.175 413 A CA 1.806 53.389 52.037 -0.755 0.000 0.627 413 A CB -0.728 17.299 19.000 -1.621 0.000 0.815 413 A HN 0.323 nan 8.150 nan 0.000 0.443 414 A N -0.292 122.404 122.820 -0.206 0.000 1.902 414 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 414 A C 2.125 179.815 177.584 0.176 0.000 1.181 414 A CA 1.950 54.021 52.037 0.057 0.000 0.623 414 A CB -0.434 18.596 19.000 0.050 0.000 0.818 414 A HN 0.523 nan 8.150 nan 0.000 0.443 415 K N -0.292 120.149 120.400 0.069 0.000 2.211 415 K HA -0.144 4.176 4.320 -0.000 0.000 0.203 415 K C 2.074 178.741 176.600 0.112 0.000 1.050 415 K CA 1.629 57.964 56.287 0.079 0.000 0.945 415 K CB -0.111 32.406 32.500 0.028 0.000 0.732 415 K HN 0.471 nan 8.250 nan 0.000 0.451 416 K N -0.292 120.190 120.400 0.136 0.000 2.155 416 K HA -0.125 4.195 4.320 -0.000 0.000 0.203 416 K C 1.860 178.630 176.600 0.283 0.000 1.052 416 K CA 0.889 57.289 56.287 0.189 0.000 0.948 416 K CB -0.144 32.504 32.500 0.247 0.000 0.728 416 K HN 0.096 nan 8.250 nan 0.000 0.448 417 F N 0.810 120.920 119.950 0.267 0.000 2.113 417 F HA -0.129 4.398 4.527 -0.000 0.000 0.297 417 F C 1.611 177.576 175.800 0.275 0.000 1.103 417 F CA 1.104 59.312 58.000 0.347 0.000 1.248 417 F CB -0.450 38.874 39.000 0.540 0.000 0.999 417 F HN -0.225 nan 8.300 nan 0.000 0.475 418 V N 0.384 120.387 119.914 0.149 0.000 2.469 418 V HA -0.279 3.841 4.120 -0.000 0.000 0.251 418 V C 2.209 178.281 176.094 -0.036 0.000 1.064 418 V CA 2.151 64.467 62.300 0.027 0.000 1.066 418 V CB -1.120 30.767 31.823 0.106 0.000 0.667 418 V HN 0.624 nan 8.190 nan 0.000 0.461 419 S N -1.031 114.660 115.700 -0.016 0.000 2.559 419 S HA 0.334 4.804 4.470 -0.000 0.000 0.226 419 S C 0.870 175.451 174.600 -0.031 0.000 1.000 419 S CA 0.180 58.371 58.200 -0.015 0.000 0.948 419 S CB 0.462 63.666 63.200 0.008 0.000 0.870 419 S HN 0.492 nan 8.310 nan 0.000 0.497 420 G N 1.336 110.100 108.800 -0.061 0.000 2.448 420 G HA2 0.466 4.426 3.960 -0.000 0.000 0.285 420 G HA3 0.466 4.426 3.960 -0.000 0.000 0.285 420 G C -0.459 174.401 174.900 -0.067 0.000 1.176 420 G CA -1.064 44.000 45.100 -0.060 0.000 0.852 420 G HN 0.478 nan 8.290 nan 0.000 0.530 421 R N 0.793 121.282 120.500 -0.018 0.000 2.502 421 R HA 0.135 4.475 4.340 -0.000 0.000 0.292 421 R C 0.117 176.445 176.300 0.047 0.000 0.998 421 R CA 0.170 56.281 56.100 0.018 0.000 1.056 421 R CB 0.253 30.597 30.300 0.073 0.000 0.939 421 R HN 0.354 nan 8.270 nan 0.000 0.411 422 K N 1.194 121.574 120.400 -0.033 0.000 2.098 422 K HA 0.333 4.653 4.320 -0.000 0.000 0.244 422 K C -0.850 175.720 176.600 -0.051 0.000 1.014 422 K CA -0.180 56.073 56.287 -0.056 0.000 0.917 422 K CB 1.680 34.075 32.500 -0.174 0.000 1.072 422 K HN 0.489 nan 8.250 nan 0.000 0.477 423 S N 0.825 116.487 115.700 -0.064 0.000 2.547 423 S HA 0.624 5.094 4.470 -0.000 0.000 0.281 423 S C -1.377 173.131 174.600 -0.154 0.000 1.118 423 S CA -0.934 57.186 58.200 -0.133 0.000 0.947 423 S CB 1.145 64.260 63.200 -0.142 0.000 1.053 423 S HN 0.630 nan 8.310 nan 0.000 0.482 424 M N 2.281 121.787 119.600 -0.157 0.000 2.421 424 M HA 0.895 5.375 4.480 -0.000 0.000 0.287 424 M C -2.094 174.117 176.300 -0.148 0.000 1.183 424 M CA -0.691 54.504 55.300 -0.176 0.000 0.916 424 M CB 1.856 34.344 32.600 -0.187 0.000 1.701 424 M HN 0.670 nan 8.290 nan 0.000 0.470 425 A N 2.653 125.371 122.820 -0.169 0.000 2.414 425 A HA 1.041 5.361 4.320 -0.000 0.000 0.306 425 A C -1.366 176.123 177.584 -0.157 0.000 1.054 425 A CA -0.231 51.730 52.037 -0.127 0.000 0.724 425 A CB 1.783 20.726 19.000 -0.094 0.000 1.267 425 A HN 1.613 nan 8.150 nan 0.000 0.418 426 A N 0.897 123.642 122.820 -0.124 0.000 2.547 426 A HA 0.869 5.189 4.320 -0.000 0.000 0.297 426 A C -0.446 177.084 177.584 -0.089 0.000 1.056 426 A CA 0.182 52.141 52.037 -0.129 0.000 0.688 426 A CB 1.273 20.179 19.000 -0.157 0.000 1.282 426 A HN 2.344 nan 8.150 nan 0.000 0.400 427 S N 0.714 116.375 115.700 -0.065 0.000 2.549 427 S HA 0.982 5.452 4.470 -0.000 0.000 0.280 427 S C 0.017 174.591 174.600 -0.043 0.000 1.109 427 S CA 0.298 58.455 58.200 -0.072 0.000 0.905 427 S CB 1.497 64.629 63.200 -0.113 0.000 1.081 427 S HN 2.863 nan 8.310 nan 0.000 0.477 428 G N 1.794 110.563 108.800 -0.052 0.000 2.293 428 G HA2 0.040 4.000 3.960 -0.000 0.000 0.282 428 G HA3 0.040 4.000 3.960 -0.000 0.000 0.282 428 G C -1.461 173.423 174.900 -0.025 0.000 1.299 428 G CA -0.748 44.338 45.100 -0.023 0.000 1.018 428 G HN 0.930 nan 8.290 nan 0.000 0.478 429 N N 1.302 119.998 118.700 -0.006 0.000 2.448 429 N HA 0.262 5.002 4.740 -0.000 0.000 0.250 429 N C 1.492 177.001 175.510 -0.003 0.000 1.136 429 N CA -0.305 52.745 53.050 -0.001 0.000 0.953 429 N CB 0.197 38.695 38.487 0.019 0.000 1.251 429 N HN 0.475 nan 8.380 nan 0.000 0.502 430 L N 2.000 123.202 121.223 -0.035 0.000 2.650 430 L HA 0.097 4.437 4.340 -0.000 0.000 0.235 430 L C 2.147 178.972 176.870 -0.075 0.000 1.149 430 L CA 0.099 54.896 54.840 -0.072 0.000 0.887 430 L CB -0.346 41.637 42.059 -0.127 0.000 1.021 430 L HN 0.502 nan 8.230 nan 0.000 0.441 431 G N -0.334 108.443 108.800 -0.038 0.000 2.532 431 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.222 431 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.222 431 G C 0.879 175.613 174.900 -0.276 0.000 1.102 431 G CA 0.862 45.890 45.100 -0.121 0.000 0.742 431 G HN 0.534 nan 8.290 nan 0.000 0.577 432 H N -1.528 117.513 119.070 -0.049 0.000 2.916 432 H HA 0.276 4.832 4.556 -0.000 0.000 0.262 432 H C -0.025 175.262 175.328 -0.067 0.000 1.178 432 H CA -0.282 55.740 56.048 -0.042 0.000 1.090 432 H CB 0.649 30.394 29.762 -0.029 0.000 1.657 432 H HN 0.051 nan 8.280 nan 0.000 0.601 433 T N 5.081 119.617 114.554 -0.029 0.000 2.723 433 T HA 0.153 4.503 4.350 -0.000 0.000 0.297 433 T C -2.222 172.373 174.700 -0.176 0.000 0.925 433 T CA -1.344 60.698 62.100 -0.097 0.000 1.030 433 T CB 1.100 69.881 68.868 -0.144 0.000 0.905 433 T HN 0.170 nan 8.240 nan 0.000 0.502 434 P HA 0.118 nan 4.420 nan 0.000 0.271 434 P C -0.076 177.139 177.300 -0.142 0.000 1.233 434 P CA -0.297 62.767 63.100 -0.060 0.000 0.789 434 P CB 0.708 32.412 31.700 0.008 0.000 0.951 435 F N -0.073 119.856 119.950 -0.036 0.000 2.664 435 F HA 0.236 4.763 4.527 -0.000 0.000 0.303 435 F C 1.857 177.619 175.800 -0.064 0.000 1.092 435 F CA 0.201 58.171 58.000 -0.050 0.000 1.305 435 F CB -0.206 38.769 39.000 -0.043 0.000 1.054 435 F HN 0.249 nan 8.300 nan 0.000 0.565 436 I N -1.918 118.710 120.570 0.098 0.000 4.677 436 I HA -0.494 3.676 4.170 -0.000 0.000 0.044 436 I C 1.755 177.897 176.117 0.042 0.000 0.627 436 I CA 1.216 62.526 61.300 0.018 0.000 0.800 436 I CB -0.916 37.082 38.000 -0.004 0.000 0.736 436 I HN -0.074 nan 8.210 nan 0.000 0.156 437 D N 1.399 121.835 120.400 0.061 0.000 2.192 437 D HA -0.216 4.424 4.640 -0.000 0.000 0.189 437 D C 1.433 177.763 176.300 0.050 0.000 1.007 437 D CA 2.444 56.461 54.000 0.029 0.000 0.859 437 D CB -0.235 40.566 40.800 0.002 0.000 0.936 437 D HN 0.647 nan 8.370 nan 0.000 0.447 438 E N -0.268 119.983 120.200 0.086 0.000 2.403 438 E HA 0.134 4.484 4.350 -0.000 0.000 0.187 438 E C 0.516 177.169 176.600 0.089 0.000 1.073 438 E CA -0.280 56.170 56.400 0.083 0.000 0.888 438 E CB 0.396 30.159 29.700 0.104 0.000 1.035 438 E HN 0.293 nan 8.360 nan 0.000 0.471 439 L N 0.000 121.279 121.223 0.093 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.928 54.840 0.147 0.000 0.813 439 L CB 0.000 42.092 42.059 0.055 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502