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 2dsj_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNPVAFIREK REGKKHRRED LEAFLLGYLR DEVPDYQVSA WLMAAFLRGL DATA SEQUENCE DPEETLWLTE TMARSGKVLD LSGLPHPVDK HSSGGVGDKV SLVVGPILAA DATA SEQUENCE SGCTFAKMSG RGLAHTGGTI DKLESVPGWR GEMTEAEFLE RARRVGLVIA DATA SEQUENCE AQSPDLAPLD GKLYALRDVT ATVESVPLIA SSIMSKKLAA GARSIVLDVK DATA SEQUENCE VGRGAFMKTL EEARLLAKTM VAIGQGAGRR VRALLTSMEA PLGRAVGNAI DATA SEQUENCE EVREAIEALK GEGPGDLLEV ALALAEEALR LEGLDPALAR KALEGGAALE DATA SEQUENCE KFRAFLEAQG GDPRAVEDFS LLPLAEEHPL RAEREGVVRE VDAYKVGLAV DATA SEQUENCE LALGGGRKRK GEPIDHGVGV YLLKKPGDRV ERGEALALVY HRRRGLEEAL DATA SEQUENCE GHLREAYALG EEAHPAPLVL EAI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.336 176.300 0.060 0.000 1.140 1 M CA 0.000 55.333 55.300 0.056 0.000 0.988 1 M CB 0.000 32.660 32.600 0.099 0.000 1.302 2 N N 1.214 119.957 118.700 0.072 0.000 2.415 2 N HA 0.391 5.131 4.740 -0.000 0.000 0.248 2 N C -2.466 173.127 175.510 0.138 0.000 1.271 2 N CA -0.692 52.408 53.050 0.083 0.000 0.913 2 N CB 0.006 38.539 38.487 0.076 0.000 1.129 2 N HN 0.371 nan 8.380 nan 0.000 0.444 3 P HA -0.172 nan 4.420 nan 0.000 0.215 3 P C 1.137 178.602 177.300 0.274 0.000 1.153 3 P CA 0.906 64.192 63.100 0.310 0.000 0.853 3 P CB 0.135 31.999 31.700 0.273 0.000 0.788 4 V N -0.056 119.976 119.914 0.196 0.000 2.407 4 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 4 V C 2.410 178.586 176.094 0.136 0.000 1.055 4 V CA 2.174 64.573 62.300 0.165 0.000 1.049 4 V CB -1.743 30.158 31.823 0.130 0.000 0.662 4 V HN 0.111 nan 8.190 nan 0.000 0.455 5 A N -0.760 122.138 122.820 0.130 0.000 1.968 5 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 5 A C 2.064 179.720 177.584 0.120 0.000 1.169 5 A CA 1.462 53.564 52.037 0.108 0.000 0.638 5 A CB -0.586 18.475 19.000 0.101 0.000 0.812 5 A HN 0.492 nan 8.150 nan 0.000 0.446 6 F N 0.825 120.751 119.950 -0.040 0.000 2.113 6 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 6 F C 1.962 177.729 175.800 -0.054 0.000 1.103 6 F CA 1.603 59.509 58.000 -0.156 0.000 1.248 6 F CB -0.243 38.456 39.000 -0.502 0.000 0.999 6 F HN 0.175 nan 8.300 nan 0.000 0.475 7 I N 0.054 120.643 120.570 0.031 0.000 2.127 7 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 7 I C 2.663 178.816 176.117 0.060 0.000 1.075 7 I CA 1.712 63.076 61.300 0.107 0.000 1.334 7 I CB -0.645 37.465 38.000 0.183 0.000 1.040 7 I HN 0.075 nan 8.210 nan 0.000 0.405 8 R N 1.119 121.651 120.500 0.052 0.000 2.105 8 R HA -0.262 4.078 4.340 -0.000 0.000 0.239 8 R C 2.233 178.528 176.300 -0.008 0.000 1.135 8 R CA 2.033 58.150 56.100 0.028 0.000 0.967 8 R CB -0.233 30.090 30.300 0.038 0.000 0.861 8 R HN 0.412 nan 8.270 nan 0.000 0.442 9 E N 0.207 120.394 120.200 -0.022 0.000 2.058 9 E HA -0.265 4.084 4.350 -0.000 0.000 0.194 9 E C 1.770 178.285 176.600 -0.142 0.000 0.997 9 E CA 1.598 57.961 56.400 -0.062 0.000 0.801 9 E CB 0.041 29.719 29.700 -0.037 0.000 0.746 9 E HN 0.047 nan 8.360 nan 0.000 0.450 10 K N 1.098 121.414 120.400 -0.140 0.000 2.103 10 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 10 K C 2.099 178.619 176.600 -0.135 0.000 1.052 10 K CA 1.195 57.359 56.287 -0.204 0.000 0.945 10 K CB -0.247 32.202 32.500 -0.085 0.000 0.722 10 K HN 0.011 nan 8.250 nan 0.000 0.443 11 R N 0.460 120.915 120.500 -0.074 0.000 2.127 11 R HA -0.111 4.228 4.340 -0.000 0.000 0.238 11 R C 0.761 177.026 176.300 -0.058 0.000 1.134 11 R CA 1.515 57.583 56.100 -0.055 0.000 0.975 11 R CB 0.002 30.291 30.300 -0.018 0.000 0.865 11 R HN 0.139 nan 8.270 nan 0.000 0.447 12 E N -0.791 119.372 120.200 -0.062 0.000 2.489 12 E HA 0.045 4.395 4.350 -0.000 0.000 0.193 12 E C 0.853 177.410 176.600 -0.072 0.000 1.057 12 E CA 0.727 57.093 56.400 -0.055 0.000 0.866 12 E CB 0.553 30.227 29.700 -0.042 0.000 0.916 12 E HN 0.615 nan 8.360 nan 0.000 0.500 13 G N 1.841 110.581 108.800 -0.100 0.000 2.143 13 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.248 13 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.248 13 G C 0.251 175.076 174.900 -0.124 0.000 0.991 13 G CA 0.454 45.488 45.100 -0.110 0.000 0.689 13 G HN 0.233 nan 8.290 nan 0.000 0.522 14 K N -0.068 120.244 120.400 -0.147 0.000 2.107 14 K HA 0.460 4.780 4.320 -0.000 0.000 0.251 14 K C 0.482 176.948 176.600 -0.224 0.000 1.012 14 K CA -0.505 55.697 56.287 -0.141 0.000 0.920 14 K CB 0.984 33.420 32.500 -0.105 0.000 1.033 14 K HN 0.172 nan 8.250 nan 0.000 0.478 15 K N 2.081 122.397 120.400 -0.140 0.000 2.201 15 K HA 0.095 4.415 4.320 -0.000 0.000 0.278 15 K C -0.527 176.055 176.600 -0.030 0.000 1.027 15 K CA -0.562 55.656 56.287 -0.114 0.000 0.909 15 K CB 0.585 33.073 32.500 -0.019 0.000 1.062 15 K HN 0.489 nan 8.250 nan 0.000 0.465 16 H N 2.756 121.903 119.070 0.128 0.000 2.607 16 H HA 0.155 4.711 4.556 -0.000 0.000 0.367 16 H C 0.039 175.552 175.328 0.308 0.000 1.181 16 H CA 0.101 56.262 56.048 0.188 0.000 1.402 16 H CB 0.707 30.624 29.762 0.258 0.000 1.474 16 H HN 0.460 nan 8.280 nan 0.000 0.596 17 R N 1.054 121.776 120.500 0.369 0.000 2.357 17 R HA 0.134 4.474 4.340 -0.000 0.000 0.296 17 R C 1.546 177.890 176.300 0.074 0.000 1.052 17 R CA -0.481 55.734 56.100 0.191 0.000 0.988 17 R CB 1.518 31.877 30.300 0.098 0.000 1.025 17 R HN 0.657 nan 8.270 nan 0.000 0.469 18 R N 2.299 122.585 120.500 -0.357 0.000 2.112 18 R HA -0.234 4.106 4.340 -0.000 0.000 0.242 18 R C 1.563 177.704 176.300 -0.266 0.000 1.137 18 R CA 2.309 58.028 56.100 -0.635 0.000 0.944 18 R CB 0.013 29.483 30.300 -1.384 0.000 0.857 18 R HN 0.694 nan 8.270 nan 0.000 0.435 19 E N 0.518 120.583 120.200 -0.224 0.000 2.130 19 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 19 E C 1.326 177.860 176.600 -0.109 0.000 0.998 19 E CA 1.503 57.816 56.400 -0.146 0.000 0.806 19 E CB -0.498 29.133 29.700 -0.115 0.000 0.738 19 E HN 0.505 nan 8.360 nan 0.000 0.459 20 D N 0.814 121.182 120.400 -0.053 0.000 2.149 20 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 20 D C 2.125 178.250 176.300 -0.292 0.000 0.972 20 D CA 0.498 54.450 54.000 -0.080 0.000 0.835 20 D CB -0.225 40.650 40.800 0.125 0.000 0.966 20 D HN 0.137 nan 8.370 nan 0.000 0.476 21 L N 1.557 122.730 121.223 -0.085 0.000 2.056 21 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 21 L C 1.876 178.626 176.870 -0.200 0.000 1.078 21 L CA 1.722 56.478 54.840 -0.139 0.000 0.749 21 L CB -0.437 41.757 42.059 0.225 0.000 0.901 21 L HN -0.066 nan 8.230 nan 0.000 0.433 22 E N -0.305 119.820 120.200 -0.124 0.000 2.047 22 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 22 E C 2.195 178.701 176.600 -0.157 0.000 0.987 22 E CA 1.133 57.466 56.400 -0.110 0.000 0.799 22 E CB -0.371 29.270 29.700 -0.099 0.000 0.752 22 E HN 0.641 nan 8.360 nan 0.000 0.449 23 A N 1.081 123.788 122.820 -0.188 0.000 1.902 23 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 23 A C 1.998 179.439 177.584 -0.239 0.000 1.181 23 A CA 1.172 53.096 52.037 -0.188 0.000 0.623 23 A CB -0.726 18.175 19.000 -0.166 0.000 0.818 23 A HN 0.315 nan 8.150 nan 0.000 0.443 24 F N 0.517 120.115 119.950 -0.587 0.000 2.102 24 F HA -0.114 4.412 4.527 -0.000 0.000 0.298 24 F C 1.946 177.485 175.800 -0.435 0.000 1.105 24 F CA 1.788 59.369 58.000 -0.698 0.000 1.239 24 F CB -0.233 37.873 39.000 -1.491 0.000 0.991 24 F HN 0.134 nan 8.300 nan 0.000 0.474 25 L N -0.703 120.345 121.223 -0.291 0.000 2.072 25 L HA -0.196 4.144 4.340 -0.000 0.000 0.205 25 L C 2.319 179.119 176.870 -0.115 0.000 1.079 25 L CA 0.657 55.394 54.840 -0.172 0.000 0.752 25 L CB -0.761 41.266 42.059 -0.054 0.000 0.906 25 L HN 0.170 nan 8.230 nan 0.000 0.436 26 L N 0.093 121.238 121.223 -0.131 0.000 2.141 26 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 26 L C 2.583 179.367 176.870 -0.142 0.000 1.094 26 L CA 1.754 56.526 54.840 -0.113 0.000 0.763 26 L CB -1.314 40.684 42.059 -0.101 0.000 0.908 26 L HN 0.182 nan 8.230 nan 0.000 0.437 27 G N -1.841 106.846 108.800 -0.188 0.000 2.422 27 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.218 27 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.218 27 G C 1.619 176.407 174.900 -0.185 0.000 1.140 27 G CA 0.700 45.682 45.100 -0.197 0.000 0.775 27 G HN 0.412 nan 8.290 nan 0.000 0.545 28 Y N 0.876 120.953 120.300 -0.373 0.000 2.220 28 Y HA 0.056 4.606 4.550 -0.000 0.000 0.291 28 Y C 2.340 178.122 175.900 -0.197 0.000 1.129 28 Y CA 0.977 58.879 58.100 -0.331 0.000 1.161 28 Y CB -0.437 37.787 38.460 -0.393 0.000 0.997 28 Y HN 0.111 nan 8.280 nan 0.000 0.522 29 L N 1.108 122.150 121.223 -0.302 0.000 2.131 29 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 29 L C 1.807 178.519 176.870 -0.264 0.000 1.092 29 L CA 1.763 56.401 54.840 -0.336 0.000 0.759 29 L CB -0.488 41.465 42.059 -0.176 0.000 0.903 29 L HN 0.144 nan 8.230 nan 0.000 0.435 30 R N -0.247 120.135 120.500 -0.197 0.000 2.356 30 R HA 0.054 4.393 4.340 -0.000 0.000 0.234 30 R C -0.224 175.989 176.300 -0.145 0.000 0.929 30 R CA 0.395 56.405 56.100 -0.150 0.000 1.084 30 R CB -0.253 29.977 30.300 -0.117 0.000 1.105 30 R HN 0.299 nan 8.270 nan 0.000 0.515 31 D N 1.212 121.501 120.400 -0.185 0.000 2.772 31 D HA -0.179 4.461 4.640 -0.000 0.000 0.233 31 D C 0.145 176.382 176.300 -0.105 0.000 1.143 31 D CA 1.175 55.089 54.000 -0.143 0.000 0.700 31 D CB -0.676 40.053 40.800 -0.118 0.000 1.076 31 D HN 0.545 nan 8.370 nan 0.000 0.430 32 E N -0.906 119.225 120.200 -0.115 0.000 2.431 32 E HA 0.118 4.468 4.350 -0.000 0.000 0.200 32 E C 0.541 177.069 176.600 -0.120 0.000 0.995 32 E CA 0.226 56.565 56.400 -0.102 0.000 0.915 32 E CB 1.049 30.687 29.700 -0.104 0.000 0.930 32 E HN 0.032 nan 8.360 nan 0.000 0.496 33 V N 3.463 123.287 119.914 -0.149 0.000 2.409 33 V HA 0.252 4.372 4.120 -0.000 0.000 0.291 33 V C -2.389 173.602 176.094 -0.171 0.000 1.020 33 V CA -2.216 59.955 62.300 -0.214 0.000 0.848 33 V CB 1.402 32.969 31.823 -0.427 0.000 0.990 33 V HN -0.043 nan 8.190 nan 0.000 0.430 34 P HA 0.084 nan 4.420 nan 0.000 0.268 34 P C 0.178 177.255 177.300 -0.372 0.000 1.208 34 P CA -0.129 62.725 63.100 -0.410 0.000 0.777 34 P CB 0.578 31.720 31.700 -0.930 0.000 0.875 35 D N 1.299 121.592 120.400 -0.178 0.000 2.144 35 D HA -0.264 4.376 4.640 -0.000 0.000 0.199 35 D C 1.529 177.785 176.300 -0.073 0.000 0.984 35 D CA 1.721 55.692 54.000 -0.049 0.000 0.834 35 D CB -1.463 39.393 40.800 0.092 0.000 0.955 35 D HN 0.570 nan 8.370 nan 0.000 0.465 36 Y N -0.065 120.265 120.300 0.051 0.000 2.421 36 Y HA 0.064 4.614 4.550 -0.000 0.000 0.292 36 Y C 1.959 177.909 175.900 0.084 0.000 1.136 36 Y CA 0.703 58.836 58.100 0.055 0.000 1.255 36 Y CB -0.899 37.591 38.460 0.049 0.000 0.991 36 Y HN -0.002 nan 8.280 nan 0.000 0.552 37 Q N 0.234 119.992 119.800 -0.071 0.000 2.163 37 Q HA -0.013 4.327 4.340 -0.000 0.000 0.198 37 Q C 2.304 178.470 176.000 0.277 0.000 0.954 37 Q CA 1.208 57.107 55.803 0.159 0.000 0.851 37 Q CB 0.021 28.803 28.738 0.073 0.000 0.928 37 Q HN 0.478 nan 8.270 nan 0.000 0.459 38 V N 1.172 121.123 119.914 0.061 0.000 2.453 38 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 38 V C 2.400 178.623 176.094 0.216 0.000 1.048 38 V CA 1.955 64.314 62.300 0.098 0.000 1.049 38 V CB -0.549 30.917 31.823 -0.596 0.000 0.672 38 V HN 0.423 nan 8.190 nan 0.000 0.457 39 S N 1.079 116.848 115.700 0.115 0.000 2.406 39 S HA -0.055 4.415 4.470 -0.000 0.000 0.228 39 S C 2.094 176.775 174.600 0.134 0.000 1.020 39 S CA 1.096 59.364 58.200 0.112 0.000 0.965 39 S CB -0.382 62.866 63.200 0.080 0.000 0.798 39 S HN 0.530 nan 8.310 nan 0.000 0.488 40 A N 0.998 123.930 122.820 0.187 0.000 1.898 40 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 40 A C 1.889 179.578 177.584 0.174 0.000 1.181 40 A CA 1.311 53.446 52.037 0.164 0.000 0.620 40 A CB -1.374 17.747 19.000 0.203 0.000 0.819 40 A HN 0.802 nan 8.150 nan 0.000 0.442 41 W N 0.612 121.980 121.300 0.113 0.000 2.381 41 W HA -0.098 4.562 4.660 -0.000 0.000 0.301 41 W C 1.694 178.271 176.519 0.096 0.000 1.205 41 W CA 1.648 59.044 57.345 0.085 0.000 1.285 41 W CB -0.358 29.175 29.460 0.123 0.000 1.133 41 W HN 0.239 nan 8.180 nan 0.000 0.521 42 L N 0.272 121.509 121.223 0.024 0.000 2.042 42 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 42 L C 2.541 179.303 176.870 -0.179 0.000 1.076 42 L CA 1.789 56.518 54.840 -0.184 0.000 0.749 42 L CB -0.832 41.261 42.059 0.057 0.000 0.893 42 L HN 0.113 nan 8.230 nan 0.000 0.432 43 M N -0.290 119.253 119.600 -0.094 0.000 2.175 43 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 43 M C 2.213 178.456 176.300 -0.094 0.000 1.063 43 M CA 1.937 57.184 55.300 -0.088 0.000 1.119 43 M CB -0.418 32.130 32.600 -0.085 0.000 1.377 43 M HN 0.168 nan 8.290 nan 0.000 0.415 44 A N -0.298 122.424 122.820 -0.162 0.000 1.898 44 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 44 A C 2.359 179.790 177.584 -0.255 0.000 1.181 44 A CA 1.906 53.836 52.037 -0.179 0.000 0.620 44 A CB -1.389 17.508 19.000 -0.172 0.000 0.819 44 A HN 0.609 nan 8.150 nan 0.000 0.442 45 A N -1.330 121.198 122.820 -0.487 0.000 1.933 45 A HA -0.017 4.302 4.320 -0.000 0.000 0.218 45 A C 2.017 179.471 177.584 -0.217 0.000 1.175 45 A CA 1.563 53.315 52.037 -0.475 0.000 0.628 45 A CB -0.681 17.794 19.000 -0.874 0.000 0.814 45 A HN 0.599 nan 8.150 nan 0.000 0.444 46 F N 0.475 120.258 119.950 -0.279 0.000 2.102 46 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 46 F C 1.902 177.621 175.800 -0.135 0.000 1.105 46 F CA 1.818 59.715 58.000 -0.171 0.000 1.239 46 F CB -0.239 38.679 39.000 -0.136 0.000 0.991 46 F HN 0.131 nan 8.300 nan 0.000 0.474 47 L N -0.729 120.627 121.223 0.223 0.000 2.209 47 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 47 L C 2.268 179.139 176.870 0.000 0.000 1.094 47 L CA 0.535 55.449 54.840 0.124 0.000 0.790 47 L CB -0.406 41.690 42.059 0.061 0.000 0.932 47 L HN -0.041 nan 8.230 nan 0.000 0.447 48 R N 0.228 120.693 120.500 -0.058 0.000 2.237 48 R HA 0.301 4.641 4.340 -0.000 0.000 0.195 48 R C 0.677 176.912 176.300 -0.109 0.000 0.956 48 R CA 0.645 56.694 56.100 -0.086 0.000 1.029 48 R CB -0.046 30.188 30.300 -0.109 0.000 0.972 48 R HN 0.301 nan 8.270 nan 0.000 0.493 49 G N 0.909 109.629 108.800 -0.132 0.000 2.730 49 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 49 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 49 G C -0.995 173.823 174.900 -0.137 0.000 1.343 49 G CA -0.834 44.181 45.100 -0.142 0.000 0.826 49 G HN 0.091 nan 8.290 nan 0.000 0.582 50 L N 1.626 122.779 121.223 -0.117 0.000 2.385 50 L HA 0.447 4.787 4.340 -0.000 0.000 0.273 50 L C 0.222 177.033 176.870 -0.098 0.000 0.990 50 L CA -1.154 53.638 54.840 -0.080 0.000 0.821 50 L CB 1.857 43.899 42.059 -0.028 0.000 1.279 50 L HN 0.952 nan 8.230 nan 0.000 0.412 51 D N 2.933 123.265 120.400 -0.115 0.000 2.411 51 D HA 0.214 4.854 4.640 -0.000 0.000 0.251 51 D C -2.143 174.055 176.300 -0.170 0.000 1.201 51 D CA -1.809 52.111 54.000 -0.134 0.000 0.996 51 D CB 0.772 41.490 40.800 -0.137 0.000 1.101 51 D HN 0.118 nan 8.370 nan 0.000 0.504 52 P HA -0.167 nan 4.420 nan 0.000 0.216 52 P C 1.098 178.221 177.300 -0.295 0.000 1.157 52 P CA 1.748 64.740 63.100 -0.179 0.000 0.880 52 P CB 0.145 31.763 31.700 -0.137 0.000 0.791 53 E N -0.423 119.510 120.200 -0.444 0.000 2.051 53 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 53 E C 2.034 177.887 176.600 -1.245 0.000 0.991 53 E CA 1.018 56.880 56.400 -0.897 0.000 0.799 53 E CB -0.393 28.682 29.700 -1.041 0.000 0.748 53 E HN 0.433 nan 8.360 nan 0.000 0.449 54 E N 0.216 119.959 120.200 -0.762 0.000 2.085 54 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 54 E C 2.148 178.699 176.600 -0.081 0.000 0.994 54 E CA 1.538 57.769 56.400 -0.283 0.000 0.801 54 E CB -0.072 29.616 29.700 -0.020 0.000 0.743 54 E HN 0.173 nan 8.360 nan 0.000 0.453 55 T N 1.612 116.092 114.554 -0.124 0.000 2.746 55 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 55 T C 1.831 176.519 174.700 -0.020 0.000 1.039 55 T CA 0.919 62.999 62.100 -0.034 0.000 1.142 55 T CB -0.215 68.615 68.868 -0.063 0.000 0.866 55 T HN 0.048 nan 8.240 nan 0.000 0.444 56 L N 0.166 121.316 121.223 -0.122 0.000 2.027 56 L HA 0.006 4.346 4.340 -0.000 0.000 0.206 56 L C 2.018 178.972 176.870 0.141 0.000 1.074 56 L CA 1.625 56.442 54.840 -0.038 0.000 0.745 56 L CB -0.907 41.084 42.059 -0.113 0.000 0.898 56 L HN 0.314 nan 8.230 nan 0.000 0.433 57 W N -0.601 120.744 121.300 0.074 0.000 2.363 57 W HA -0.151 4.509 4.660 -0.000 0.000 0.296 57 W C 2.450 179.022 176.519 0.089 0.000 1.212 57 W CA 0.986 58.377 57.345 0.077 0.000 1.260 57 W CB -1.301 28.214 29.460 0.092 0.000 1.131 57 W HN 0.275 nan 8.180 nan 0.000 0.530 58 L N 0.804 122.222 121.223 0.325 0.000 2.046 58 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 58 L C 2.202 179.185 176.870 0.189 0.000 1.077 58 L CA 2.479 57.478 54.840 0.264 0.000 0.747 58 L CB -1.306 40.923 42.059 0.283 0.000 0.896 58 L HN -0.168 nan 8.230 nan 0.000 0.432 59 T N -0.276 114.369 114.554 0.152 0.000 2.652 59 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 59 T C 1.725 176.485 174.700 0.101 0.000 1.039 59 T CA 1.606 63.769 62.100 0.104 0.000 1.153 59 T CB -0.252 68.658 68.868 0.070 0.000 0.863 59 T HN 0.392 nan 8.240 nan 0.000 0.428 60 E N 0.873 121.149 120.200 0.128 0.000 2.110 60 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 60 E C 2.486 179.137 176.600 0.084 0.000 0.988 60 E CA 1.220 57.684 56.400 0.107 0.000 0.804 60 E CB -0.628 29.157 29.700 0.142 0.000 0.745 60 E HN 0.454 nan 8.360 nan 0.000 0.458 61 T N 1.349 115.964 114.554 0.103 0.000 2.746 61 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 61 T C 2.013 176.747 174.700 0.055 0.000 1.039 61 T CA 1.223 63.364 62.100 0.069 0.000 1.142 61 T CB -0.111 68.806 68.868 0.082 0.000 0.866 61 T HN 0.129 nan 8.240 nan 0.000 0.444 62 M N 0.707 120.352 119.600 0.076 0.000 2.200 62 M HA 0.065 4.545 4.480 -0.000 0.000 0.265 62 M C 2.828 179.151 176.300 0.038 0.000 1.066 62 M CA 1.116 56.455 55.300 0.064 0.000 1.127 62 M CB -0.412 32.241 32.600 0.089 0.000 1.379 62 M HN 0.278 nan 8.290 nan 0.000 0.420 63 A N 1.563 124.405 122.820 0.038 0.000 1.902 63 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 63 A C 2.058 179.646 177.584 0.008 0.000 1.181 63 A CA 1.777 53.826 52.037 0.020 0.000 0.623 63 A CB -0.653 18.361 19.000 0.024 0.000 0.818 63 A HN 0.649 nan 8.150 nan 0.000 0.443 64 R N 0.176 120.682 120.500 0.011 0.000 2.388 64 R HA 0.142 4.482 4.340 -0.000 0.000 0.247 64 R C 1.283 177.576 176.300 -0.010 0.000 0.931 64 R CA 0.934 57.033 56.100 -0.002 0.000 1.082 64 R CB -0.433 29.866 30.300 -0.000 0.000 1.135 64 R HN 0.415 nan 8.270 nan 0.000 0.525 65 S N -1.143 114.553 115.700 -0.008 0.000 2.515 65 S HA 0.087 4.557 4.470 -0.000 0.000 0.231 65 S C 0.966 175.549 174.600 -0.028 0.000 0.987 65 S CA 0.330 58.518 58.200 -0.019 0.000 0.936 65 S CB 0.261 63.454 63.200 -0.013 0.000 0.766 65 S HN 0.533 nan 8.310 nan 0.000 0.528 66 G N 0.404 109.188 108.800 -0.026 0.000 3.265 66 G HA2 0.569 4.529 3.960 -0.000 0.000 0.171 66 G HA3 0.569 4.529 3.960 -0.000 0.000 0.171 66 G C -1.366 173.514 174.900 -0.033 0.000 1.110 66 G CA -0.859 44.222 45.100 -0.033 0.000 0.855 66 G HN 0.141 nan 8.290 nan 0.000 0.658 67 K N -0.233 120.143 120.400 -0.040 0.000 2.237 67 K HA 0.583 4.903 4.320 -0.000 0.000 0.270 67 K C -0.653 175.921 176.600 -0.044 0.000 1.015 67 K CA 0.020 56.280 56.287 -0.044 0.000 0.949 67 K CB 1.490 33.955 32.500 -0.059 0.000 0.976 67 K HN 0.139 nan 8.250 nan 0.000 0.472 68 V N 5.163 125.055 119.914 -0.037 0.000 2.409 68 V HA 0.271 4.390 4.120 -0.000 0.000 0.290 68 V C -0.412 175.665 176.094 -0.027 0.000 1.017 68 V CA -0.880 61.402 62.300 -0.030 0.000 0.841 68 V CB 1.024 32.837 31.823 -0.016 0.000 1.003 68 V HN 0.588 nan 8.190 nan 0.000 0.426 69 L N 3.594 124.795 121.223 -0.037 0.000 2.453 69 L HA 0.300 4.639 4.340 -0.000 0.000 0.272 69 L C 0.157 177.039 176.870 0.020 0.000 1.182 69 L CA 0.159 54.989 54.840 -0.017 0.000 0.858 69 L CB 0.443 42.480 42.059 -0.037 0.000 1.120 69 L HN 0.641 nan 8.230 nan 0.000 0.474 70 D N 3.822 124.244 120.400 0.037 0.000 2.427 70 D HA 0.315 4.955 4.640 -0.000 0.000 0.226 70 D C 0.219 176.552 176.300 0.055 0.000 1.076 70 D CA -0.282 53.740 54.000 0.036 0.000 0.849 70 D CB 0.909 41.724 40.800 0.025 0.000 1.052 70 D HN 0.364 nan 8.370 nan 0.000 0.515 71 L N 2.827 124.081 121.223 0.051 0.000 2.808 71 L HA 0.098 4.438 4.340 -0.000 0.000 0.246 71 L C 2.015 178.898 176.870 0.023 0.000 1.153 71 L CA -0.086 54.785 54.840 0.050 0.000 0.956 71 L CB 0.006 42.102 42.059 0.062 0.000 1.270 71 L HN 0.370 nan 8.230 nan 0.000 0.528 72 S N 0.067 115.777 115.700 0.016 0.000 2.420 72 S HA -0.161 4.309 4.470 -0.000 0.000 0.237 72 S C 1.841 176.436 174.600 -0.008 0.000 1.023 72 S CA 1.370 59.571 58.200 0.003 0.000 0.991 72 S CB -0.568 62.634 63.200 0.004 0.000 0.792 72 S HN 0.480 nan 8.310 nan 0.000 0.488 73 G N 0.545 109.343 108.800 -0.003 0.000 2.880 73 G HA2 0.381 4.341 3.960 -0.000 0.000 0.209 73 G HA3 0.381 4.341 3.960 -0.000 0.000 0.209 73 G C 0.355 175.244 174.900 -0.018 0.000 1.157 73 G CA -0.346 44.748 45.100 -0.010 0.000 0.779 73 G HN 0.459 nan 8.290 nan 0.000 0.539 74 L N 1.819 123.033 121.223 -0.015 0.000 2.357 74 L HA 0.351 4.691 4.340 -0.000 0.000 0.273 74 L C -1.849 174.994 176.870 -0.045 0.000 1.080 74 L CA -2.132 52.697 54.840 -0.018 0.000 0.803 74 L CB 1.464 43.521 42.059 -0.003 0.000 1.174 74 L HN -0.073 nan 8.230 nan 0.000 0.443 75 P HA -0.010 nan 4.420 nan 0.000 0.271 75 P C -0.720 176.556 177.300 -0.040 0.000 1.220 75 P CA -0.022 63.006 63.100 -0.121 0.000 0.768 75 P CB 0.372 32.049 31.700 -0.038 0.000 0.848 76 H N 0.108 119.192 119.070 0.024 0.000 2.252 76 H HA -0.129 4.427 4.556 -0.000 0.000 0.314 76 H C -2.052 173.296 175.328 0.034 0.000 0.918 76 H CA -0.038 56.028 56.048 0.029 0.000 1.042 76 H CB -1.887 27.895 29.762 0.032 0.000 1.604 76 H HN 0.387 nan 8.280 nan 0.000 0.331 77 P HA 0.145 nan 4.420 nan 0.000 0.276 77 P C 0.193 177.530 177.300 0.062 0.000 1.253 77 P CA -0.114 63.025 63.100 0.065 0.000 0.766 77 P CB 1.260 32.982 31.700 0.036 0.000 0.845 78 V N 0.530 120.475 119.914 0.051 0.000 3.158 78 V HA 0.891 5.011 4.120 -0.000 0.000 0.311 78 V C -1.113 174.915 176.094 -0.109 0.000 1.181 78 V CA -0.869 61.453 62.300 0.036 0.000 1.054 78 V CB 2.618 34.515 31.823 0.124 0.000 1.085 78 V HN 0.352 nan 8.190 nan 0.000 0.446 79 D N -0.064 120.276 120.400 -0.099 0.000 2.653 79 D HA 0.444 5.084 4.640 -0.000 0.000 0.258 79 D C -1.799 174.496 176.300 -0.009 0.000 1.252 79 D CA -0.475 53.352 54.000 -0.288 0.000 0.777 79 D CB 2.343 42.990 40.800 -0.254 0.000 1.339 79 D HN 0.952 nan 8.370 nan 0.000 0.422 80 K N 1.501 121.931 120.400 0.050 0.000 2.378 80 K HA 0.322 4.641 4.320 -0.000 0.000 0.252 80 K C -1.695 174.991 176.600 0.144 0.000 0.931 80 K CA -0.585 55.801 56.287 0.166 0.000 0.794 80 K CB 1.338 34.001 32.500 0.273 0.000 1.181 80 K HN 0.624 nan 8.250 nan 0.000 0.425 81 H N 1.449 120.546 119.070 0.046 0.000 2.600 81 H HA 0.366 4.922 4.556 -0.000 0.000 0.357 81 H C -1.407 173.942 175.328 0.036 0.000 1.106 81 H CA -0.339 55.729 56.048 0.032 0.000 1.193 81 H CB 1.928 31.698 29.762 0.013 0.000 1.594 81 H HN 0.485 nan 8.280 nan 0.000 0.526 82 S N 3.016 118.322 115.700 -0.656 0.000 2.438 82 S HA 0.169 4.639 4.470 -0.000 0.000 0.316 82 S C -0.192 174.171 174.600 -0.395 0.000 1.084 82 S CA -0.504 57.479 58.200 -0.363 0.000 1.107 82 S CB 0.926 63.998 63.200 -0.213 0.000 0.981 82 S HN 0.583 nan 8.310 nan 0.000 0.466 83 S N 3.383 119.049 115.700 -0.056 0.000 2.451 83 S HA 0.756 5.226 4.470 -0.000 0.000 0.301 83 S C 0.536 175.174 174.600 0.064 0.000 1.116 83 S CA 0.436 58.690 58.200 0.091 0.000 1.093 83 S CB 0.145 63.457 63.200 0.187 0.000 1.017 83 S HN 1.313 nan 8.310 nan 0.000 0.482 84 G N 3.012 111.860 108.800 0.080 0.000 2.828 84 G HA2 0.367 4.327 3.960 -0.000 0.000 0.463 84 G HA3 0.367 4.327 3.960 -0.000 0.000 0.463 84 G C 0.597 175.549 174.900 0.086 0.000 1.394 84 G CA -0.226 44.937 45.100 0.105 0.000 0.862 84 G HN 2.361 nan 8.290 nan 0.000 0.540 85 G N -2.952 105.927 108.800 0.133 0.000 2.632 85 G HA2 0.281 4.240 3.960 -0.000 0.000 0.224 85 G HA3 0.281 4.240 3.960 -0.000 0.000 0.224 85 G C 0.893 175.840 174.900 0.079 0.000 1.341 85 G CA 1.797 46.931 45.100 0.057 0.000 0.880 85 G HN 2.518 nan 8.290 nan 0.000 0.566 86 V N -2.798 117.106 119.914 -0.017 0.000 3.070 86 V HA 0.675 4.794 4.120 -0.000 0.000 0.345 86 V C 1.245 177.310 176.094 -0.047 0.000 1.403 86 V CA 0.829 63.123 62.300 -0.010 0.000 1.155 86 V CB 0.001 31.812 31.823 -0.021 0.000 1.140 86 V HN 2.918 nan 8.190 nan 0.000 0.505 87 G N 2.102 110.875 108.800 -0.046 0.000 2.540 87 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.260 87 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.260 87 G C -0.380 174.491 174.900 -0.047 0.000 0.993 87 G CA 0.297 45.367 45.100 -0.050 0.000 1.327 87 G HN 1.063 nan 8.290 nan 0.000 0.485 88 D N -0.307 120.062 120.400 -0.052 0.000 2.478 88 D HA 0.459 5.099 4.640 -0.000 0.000 0.269 88 D C 1.409 177.680 176.300 -0.048 0.000 1.232 88 D CA -0.388 53.581 54.000 -0.052 0.000 1.059 88 D CB 0.479 41.243 40.800 -0.060 0.000 1.104 88 D HN 0.479 nan 8.370 nan 0.000 0.566 89 K N -0.125 120.241 120.400 -0.056 0.000 2.437 89 K HA 0.096 4.416 4.320 -0.000 0.000 0.198 89 K C 1.463 178.016 176.600 -0.079 0.000 1.024 89 K CA 0.172 56.420 56.287 -0.065 0.000 1.148 89 K CB -0.090 32.365 32.500 -0.075 0.000 0.860 89 K HN 0.320 nan 8.250 nan 0.000 0.515 90 V N -1.686 118.187 119.914 -0.068 0.000 2.380 90 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 90 V C 2.010 178.050 176.094 -0.090 0.000 1.063 90 V CA 2.029 64.283 62.300 -0.075 0.000 1.055 90 V CB -0.768 31.023 31.823 -0.053 0.000 0.657 90 V HN 0.346 nan 8.190 nan 0.000 0.455 91 S N 0.573 116.238 115.700 -0.058 0.000 2.399 91 S HA 0.062 4.532 4.470 -0.000 0.000 0.231 91 S C 1.755 176.269 174.600 -0.143 0.000 1.022 91 S CA 1.790 59.955 58.200 -0.058 0.000 0.983 91 S CB -0.560 62.679 63.200 0.066 0.000 0.803 91 S HN 0.662 nan 8.310 nan 0.000 0.480 92 L N 0.623 121.772 121.223 -0.123 0.000 2.353 92 L HA -0.046 4.293 4.340 -0.000 0.000 0.220 92 L C 1.751 178.434 176.870 -0.312 0.000 1.133 92 L CA 0.647 55.387 54.840 -0.167 0.000 0.798 92 L CB -0.327 41.625 42.059 -0.179 0.000 0.922 92 L HN 0.244 nan 8.230 nan 0.000 0.445 93 V N -2.261 117.496 119.914 -0.262 0.000 2.908 93 V HA -0.034 4.086 4.120 -0.000 0.000 0.240 93 V C 2.134 178.078 176.094 -0.251 0.000 1.117 93 V CA 0.419 62.563 62.300 -0.259 0.000 1.133 93 V CB 0.919 32.625 31.823 -0.196 0.000 0.857 93 V HN 0.044 nan 8.190 nan 0.000 0.478 94 V N 1.418 121.177 119.914 -0.258 0.000 2.343 94 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 94 V C 2.640 178.399 176.094 -0.558 0.000 1.051 94 V CA 2.372 64.495 62.300 -0.295 0.000 1.036 94 V CB -1.306 30.398 31.823 -0.199 0.000 0.654 94 V HN 0.588 nan 8.190 nan 0.000 0.451 95 G N 0.617 108.887 108.800 -0.884 0.000 2.480 95 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 95 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 95 G C -0.204 174.322 174.900 -0.623 0.000 1.200 95 G CA 1.204 45.447 45.100 -1.427 0.000 0.782 95 G HN 0.494 nan 8.290 nan 0.000 0.554 96 P HA -0.046 nan 4.420 nan 0.000 0.215 96 P C 1.929 179.159 177.300 -0.117 0.000 1.153 96 P CA 0.768 63.792 63.100 -0.125 0.000 0.853 96 P CB -0.046 31.637 31.700 -0.028 0.000 0.788 97 I N -1.497 118.977 120.570 -0.160 0.000 2.179 97 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 97 I C 2.271 178.335 176.117 -0.089 0.000 1.088 97 I CA 1.446 62.680 61.300 -0.110 0.000 1.357 97 I CB -0.612 37.319 38.000 -0.114 0.000 1.051 97 I HN -0.098 nan 8.210 nan 0.000 0.409 98 L N 0.357 121.505 121.223 -0.125 0.000 2.056 98 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 98 L C 2.786 179.655 176.870 -0.002 0.000 1.078 98 L CA 1.225 56.038 54.840 -0.045 0.000 0.749 98 L CB -0.681 41.380 42.059 0.003 0.000 0.901 98 L HN 0.231 nan 8.230 nan 0.000 0.433 99 A N -0.099 122.706 122.820 -0.024 0.000 2.019 99 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 99 A C 2.283 179.880 177.584 0.022 0.000 1.164 99 A CA 1.557 53.609 52.037 0.024 0.000 0.644 99 A CB -0.478 18.529 19.000 0.013 0.000 0.805 99 A HN 0.396 nan 8.150 nan 0.000 0.449 100 A N -1.201 121.620 122.820 0.001 0.000 2.275 100 A HA 0.324 4.643 4.320 -0.000 0.000 0.212 100 A C 1.617 179.205 177.584 0.005 0.000 1.201 100 A CA 0.924 52.967 52.037 0.009 0.000 0.843 100 A CB -0.136 18.867 19.000 0.004 0.000 0.873 100 A HN 0.300 nan 8.150 nan 0.000 0.492 101 S N -1.249 114.452 115.700 0.002 0.000 2.568 101 S HA 0.413 4.883 4.470 -0.000 0.000 0.232 101 S C 1.237 175.839 174.600 0.004 0.000 0.975 101 S CA 0.519 58.716 58.200 -0.005 0.000 0.949 101 S CB 0.389 63.578 63.200 -0.019 0.000 0.829 101 S HN 1.438 nan 8.310 nan 0.000 0.479 102 G N 0.541 109.360 108.800 0.032 0.000 2.176 102 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.232 102 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.232 102 G C 0.228 175.202 174.900 0.123 0.000 0.986 102 G CA -0.122 45.019 45.100 0.068 0.000 0.643 102 G HN 0.534 nan 8.290 nan 0.000 0.522 103 C N 0.454 119.814 119.300 0.099 0.000 2.325 103 C HA 0.823 5.283 4.460 -0.000 0.000 0.370 103 C C 0.801 175.872 174.990 0.135 0.000 1.217 103 C CA -0.137 58.969 59.018 0.147 0.000 2.254 103 C CB 1.440 29.259 27.740 0.131 0.000 2.282 103 C HN 0.442 nan 8.230 nan 0.000 0.564 104 T N 1.615 116.252 114.554 0.138 0.000 2.758 104 T HA 0.374 4.724 4.350 -0.000 0.000 0.285 104 T C -0.862 173.925 174.700 0.144 0.000 0.981 104 T CA 0.124 62.286 62.100 0.104 0.000 0.965 104 T CB 0.214 69.114 68.868 0.053 0.000 0.927 104 T HN 0.466 nan 8.240 nan 0.000 0.448 105 F N 3.885 123.824 119.950 -0.018 0.000 2.310 105 F HA 0.611 5.138 4.527 -0.000 0.000 0.365 105 F C -0.119 175.656 175.800 -0.043 0.000 1.080 105 F CA -0.795 57.193 58.000 -0.020 0.000 1.187 105 F CB 0.215 39.190 39.000 -0.041 0.000 1.465 105 F HN 0.604 nan 8.300 nan 0.000 0.496 106 A N 6.963 129.719 122.820 -0.106 0.000 2.310 106 A HA 0.698 5.018 4.320 -0.000 0.000 0.304 106 A C -1.012 176.618 177.584 0.077 0.000 1.231 106 A CA -0.585 51.398 52.037 -0.091 0.000 0.799 106 A CB 0.567 19.423 19.000 -0.240 0.000 1.162 106 A HN 0.742 nan 8.150 nan 0.000 0.486 107 K N 1.303 121.791 120.400 0.147 0.000 2.499 107 K HA 0.814 5.134 4.320 -0.000 0.000 0.277 107 K C -1.206 175.527 176.600 0.222 0.000 1.025 107 K CA -1.043 55.317 56.287 0.121 0.000 0.900 107 K CB 1.086 33.493 32.500 -0.155 0.000 1.494 107 K HN 0.336 nan 8.250 nan 0.000 0.442 108 M N 1.630 121.297 119.600 0.111 0.000 2.205 108 M HA 0.406 4.886 4.480 -0.000 0.000 0.344 108 M C -0.771 175.595 176.300 0.110 0.000 1.085 108 M CA -0.550 54.811 55.300 0.100 0.000 1.001 108 M CB 0.829 33.436 32.600 0.013 0.000 1.626 108 M HN 0.706 nan 8.290 nan 0.000 0.442 109 S N 0.803 116.592 115.700 0.148 0.000 2.726 109 S HA 0.961 5.431 4.470 -0.000 0.000 0.308 109 S C 0.274 174.943 174.600 0.115 0.000 1.115 109 S CA -0.652 57.629 58.200 0.134 0.000 0.965 109 S CB 2.238 65.541 63.200 0.171 0.000 1.145 109 S HN 0.887 nan 8.310 nan 0.000 0.532 110 G N 0.094 108.947 108.800 0.088 0.000 3.175 110 G HA2 0.684 4.644 3.960 -0.000 0.000 0.255 110 G HA3 0.684 4.644 3.960 -0.000 0.000 0.255 110 G C -1.200 173.744 174.900 0.073 0.000 1.352 110 G CA -0.790 44.353 45.100 0.072 0.000 1.037 110 G HN 0.553 nan 8.290 nan 0.000 0.556 111 R N -1.321 119.213 120.500 0.058 0.000 2.828 111 R HA 0.581 4.921 4.340 -0.000 0.000 0.264 111 R C 0.383 176.699 176.300 0.027 0.000 1.022 111 R CA -0.477 55.656 56.100 0.055 0.000 1.021 111 R CB 1.754 32.092 30.300 0.063 0.000 1.163 111 R HN 0.631 nan 8.270 nan 0.000 0.494 112 G N 0.482 109.293 108.800 0.019 0.000 2.562 112 G HA2 0.477 4.437 3.960 -0.000 0.000 0.275 112 G HA3 0.477 4.437 3.960 -0.000 0.000 0.275 112 G C -1.387 173.507 174.900 -0.011 0.000 1.196 112 G CA -0.229 44.864 45.100 -0.012 0.000 0.908 112 G HN 0.312 nan 8.290 nan 0.000 0.524 113 L N 0.058 121.257 121.223 -0.041 0.000 2.526 113 L HA 0.641 4.980 4.340 -0.000 0.000 0.263 113 L C 0.601 177.442 176.870 -0.049 0.000 0.943 113 L CA 0.924 55.752 54.840 -0.019 0.000 0.859 113 L CB 1.096 43.159 42.059 0.006 0.000 1.313 113 L HN 1.915 nan 8.230 nan 0.000 0.406 114 A N 3.483 126.306 122.820 0.005 0.000 5.295 114 A HA -0.337 3.983 4.320 -0.000 0.000 0.313 114 A C 1.180 178.784 177.584 0.033 0.000 1.912 114 A CA 1.536 53.603 52.037 0.050 0.000 0.714 114 A CB -1.885 17.198 19.000 0.138 0.000 1.319 114 A HN 1.671 nan 8.150 nan 0.000 0.375 115 H N 1.578 120.668 119.070 0.033 0.000 2.556 115 H HA 0.243 4.799 4.556 -0.000 0.000 0.268 115 H C 0.794 176.150 175.328 0.047 0.000 0.996 115 H CA 1.877 57.947 56.048 0.036 0.000 1.157 115 H CB -1.280 28.518 29.762 0.061 0.000 1.355 115 H HN 1.173 nan 8.280 nan 0.000 0.597 116 T N -1.518 112.775 114.554 -0.435 0.000 2.929 116 T HA 0.622 4.972 4.350 -0.000 0.000 0.284 116 T C 0.650 175.283 174.700 -0.112 0.000 1.014 116 T CA -0.336 61.598 62.100 -0.276 0.000 1.051 116 T CB 2.378 71.061 68.868 -0.309 0.000 1.028 116 T HN 0.347 nan 8.240 nan 0.000 0.485 117 G N -0.445 108.316 108.800 -0.065 0.000 2.521 117 G HA2 0.725 4.685 3.960 -0.000 0.000 0.323 117 G HA3 0.725 4.685 3.960 -0.000 0.000 0.323 117 G C -0.337 174.552 174.900 -0.018 0.000 1.211 117 G CA -0.865 44.219 45.100 -0.026 0.000 0.979 117 G HN 1.119 nan 8.290 nan 0.000 0.490 118 G N -1.707 107.097 108.800 0.006 0.000 2.682 118 G HA2 0.445 4.405 3.960 -0.000 0.000 0.300 118 G HA3 0.445 4.405 3.960 -0.000 0.000 0.300 118 G C 0.487 175.405 174.900 0.030 0.000 1.391 118 G CA 0.046 45.158 45.100 0.020 0.000 0.990 118 G HN 0.465 nan 8.290 nan 0.000 0.501 119 T N 2.088 116.663 114.554 0.035 0.000 2.788 119 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 119 T C 2.464 177.183 174.700 0.032 0.000 1.044 119 T CA 0.899 63.018 62.100 0.031 0.000 1.139 119 T CB -0.112 68.794 68.868 0.063 0.000 0.867 119 T HN 0.364 nan 8.240 nan 0.000 0.454 120 I N 1.963 122.601 120.570 0.114 0.000 2.226 120 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 120 I C 2.189 178.398 176.117 0.154 0.000 1.100 120 I CA 1.333 62.758 61.300 0.208 0.000 1.374 120 I CB -1.127 37.026 38.000 0.254 0.000 1.057 120 I HN 0.232 nan 8.210 nan 0.000 0.413 121 D N 1.169 121.647 120.400 0.129 0.000 2.097 121 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 121 D C 2.167 178.532 176.300 0.108 0.000 0.989 121 D CA 1.229 55.332 54.000 0.171 0.000 0.827 121 D CB -0.049 40.835 40.800 0.140 0.000 0.966 121 D HN 0.386 nan 8.370 nan 0.000 0.456 122 K N 0.464 120.871 120.400 0.011 0.000 2.009 122 K HA -0.076 4.244 4.320 -0.000 0.000 0.210 122 K C 2.388 178.858 176.600 -0.216 0.000 1.049 122 K CA 0.707 56.954 56.287 -0.067 0.000 0.929 122 K CB -0.244 32.219 32.500 -0.062 0.000 0.714 122 K HN 0.115 nan 8.250 nan 0.000 0.440 123 L N 1.170 122.175 121.223 -0.362 0.000 2.191 123 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 123 L C 2.010 178.537 176.870 -0.572 0.000 1.103 123 L CA 1.077 55.455 54.840 -0.769 0.000 0.769 123 L CB -0.306 40.751 42.059 -1.671 0.000 0.908 123 L HN 0.229 nan 8.230 nan 0.000 0.438 124 E N -0.286 119.789 120.200 -0.208 0.000 2.409 124 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 124 E C 2.195 178.581 176.600 -0.356 0.000 1.024 124 E CA 1.070 57.476 56.400 0.010 0.000 0.861 124 E CB 0.036 29.834 29.700 0.164 0.000 0.788 124 E HN 0.535 nan 8.360 nan 0.000 0.521 125 S N -0.012 115.328 115.700 -0.599 0.000 2.447 125 S HA -0.054 4.416 4.470 -0.000 0.000 0.233 125 S C 1.082 175.525 174.600 -0.262 0.000 1.006 125 S CA 0.082 57.921 58.200 -0.602 0.000 0.957 125 S CB -0.089 62.862 63.200 -0.416 0.000 0.773 125 S HN -0.063 nan 8.310 nan 0.000 0.507 126 V N 5.689 125.483 119.914 -0.200 0.000 2.439 126 V HA 0.244 4.364 4.120 -0.000 0.000 0.271 126 V C -2.023 174.056 176.094 -0.025 0.000 1.040 126 V CA -1.942 60.294 62.300 -0.106 0.000 1.002 126 V CB 0.270 32.010 31.823 -0.139 0.000 1.000 126 V HN 0.373 nan 8.190 nan 0.000 0.477 127 P HA 0.080 nan 4.420 nan 0.000 0.260 127 P C 0.930 178.247 177.300 0.027 0.000 1.185 127 P CA 1.401 64.506 63.100 0.009 0.000 0.763 127 P CB 0.706 32.408 31.700 0.005 0.000 0.776 128 G N 2.752 111.575 108.800 0.039 0.000 2.254 128 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.225 128 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.225 128 G C -0.229 174.686 174.900 0.024 0.000 1.003 128 G CA -0.261 44.851 45.100 0.019 0.000 0.622 128 G HN 0.550 nan 8.290 nan 0.000 0.507 129 W N 3.797 125.026 121.300 -0.118 0.000 2.251 129 W HA 0.662 5.322 4.660 -0.000 0.000 0.327 129 W C 0.331 176.796 176.519 -0.089 0.000 1.361 129 W CA 0.056 57.313 57.345 -0.146 0.000 1.234 129 W CB 0.479 29.818 29.460 -0.201 0.000 1.212 129 W HN 0.140 nan 8.180 nan 0.000 0.557 130 R N 3.431 123.438 120.500 -0.822 0.000 2.698 130 R HA 0.355 4.695 4.340 -0.000 0.000 0.275 130 R C 0.507 176.044 176.300 -1.271 0.000 1.001 130 R CA -0.479 55.206 56.100 -0.692 0.000 0.896 130 R CB 1.332 31.439 30.300 -0.321 0.000 1.218 130 R HN 0.743 nan 8.270 nan 0.000 0.462 131 G N 0.511 108.867 108.800 -0.741 0.000 3.020 131 G HA2 0.021 3.981 3.960 -0.000 0.000 0.217 131 G HA3 0.021 3.981 3.960 -0.000 0.000 0.217 131 G C -0.215 174.593 174.900 -0.153 0.000 1.144 131 G CA -0.038 44.811 45.100 -0.418 0.000 0.760 131 G HN 0.359 nan 8.290 nan 0.000 0.548 132 E N 1.018 121.129 120.200 -0.148 0.000 2.289 132 E HA 0.576 4.926 4.350 -0.000 0.000 0.278 132 E C 0.382 176.935 176.600 -0.080 0.000 1.032 132 E CA 0.101 56.456 56.400 -0.074 0.000 0.854 132 E CB 1.105 30.771 29.700 -0.057 0.000 1.046 132 E HN 0.497 nan 8.360 nan 0.000 0.409 133 M N -0.834 118.748 119.600 -0.030 0.000 2.643 133 M HA 0.450 4.930 4.480 -0.000 0.000 0.276 133 M C -0.702 175.607 176.300 0.016 0.000 1.200 133 M CA -1.069 54.227 55.300 -0.007 0.000 0.863 133 M CB 1.666 34.282 32.600 0.025 0.000 1.711 133 M HN 0.379 nan 8.290 nan 0.000 0.492 134 T N -2.375 112.191 114.554 0.020 0.000 2.828 134 T HA 0.227 4.577 4.350 -0.000 0.000 0.290 134 T C 0.744 175.478 174.700 0.056 0.000 1.019 134 T CA 0.211 62.323 62.100 0.020 0.000 1.031 134 T CB 1.485 70.361 68.868 0.013 0.000 1.001 134 T HN 0.929 nan 8.240 nan 0.000 0.531 135 E N 0.530 120.748 120.200 0.030 0.000 2.110 135 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 135 E C 2.305 178.976 176.600 0.118 0.000 0.988 135 E CA 1.115 57.546 56.400 0.052 0.000 0.804 135 E CB -0.520 29.183 29.700 0.004 0.000 0.745 135 E HN 0.814 nan 8.360 nan 0.000 0.458 136 A N 1.101 123.964 122.820 0.071 0.000 1.902 136 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 136 A C 1.891 179.519 177.584 0.073 0.000 1.181 136 A CA 1.639 53.714 52.037 0.063 0.000 0.623 136 A CB -0.443 18.576 19.000 0.033 0.000 0.818 136 A HN 0.313 nan 8.150 nan 0.000 0.443 137 E N -1.503 118.742 120.200 0.075 0.000 2.106 137 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 137 E C 1.742 178.396 176.600 0.091 0.000 0.984 137 E CA 1.077 57.512 56.400 0.059 0.000 0.806 137 E CB -0.260 29.462 29.700 0.037 0.000 0.750 137 E HN 0.685 nan 8.360 nan 0.000 0.458 138 F N 1.582 121.531 119.950 -0.001 0.000 2.095 138 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 138 F C 1.916 177.728 175.800 0.020 0.000 1.104 138 F CA 1.420 59.428 58.000 0.013 0.000 1.232 138 F CB -0.080 38.925 39.000 0.009 0.000 0.987 138 F HN -0.090 nan 8.300 nan 0.000 0.475 139 L N -0.170 121.149 121.223 0.160 0.000 2.093 139 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 139 L C 2.564 179.423 176.870 -0.018 0.000 1.085 139 L CA 1.423 56.298 54.840 0.058 0.000 0.755 139 L CB -0.874 41.252 42.059 0.112 0.000 0.904 139 L HN 0.188 nan 8.230 nan 0.000 0.435 140 E N 1.138 121.337 120.200 -0.001 0.000 2.077 140 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 140 E C 2.284 178.863 176.600 -0.035 0.000 0.989 140 E CA 1.383 57.776 56.400 -0.011 0.000 0.800 140 E CB 0.104 29.804 29.700 0.000 0.000 0.746 140 E HN 0.418 nan 8.360 nan 0.000 0.452 141 R N -0.011 120.453 120.500 -0.060 0.000 2.090 141 R HA 0.005 4.345 4.340 -0.000 0.000 0.228 141 R C 2.474 178.718 176.300 -0.093 0.000 1.110 141 R CA 1.071 57.133 56.100 -0.063 0.000 0.973 141 R CB -0.303 29.960 30.300 -0.061 0.000 0.869 141 R HN 0.133 nan 8.270 nan 0.000 0.440 142 A N 1.184 123.891 122.820 -0.188 0.000 1.902 142 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 142 A C 2.124 179.664 177.584 -0.074 0.000 1.181 142 A CA 1.435 53.361 52.037 -0.185 0.000 0.623 142 A CB -0.417 18.413 19.000 -0.283 0.000 0.818 142 A HN 0.233 nan 8.150 nan 0.000 0.443 143 R N -0.808 119.661 120.500 -0.052 0.000 2.075 143 R HA -0.044 4.295 4.340 -0.000 0.000 0.226 143 R C 2.452 178.747 176.300 -0.008 0.000 1.114 143 R CA 1.409 57.496 56.100 -0.021 0.000 0.972 143 R CB -0.225 30.067 30.300 -0.013 0.000 0.869 143 R HN 0.533 nan 8.270 nan 0.000 0.437 144 R N -0.275 120.219 120.500 -0.009 0.000 2.075 144 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 144 R C 1.770 178.078 176.300 0.013 0.000 1.114 144 R CA 1.300 57.401 56.100 0.002 0.000 0.972 144 R CB 0.203 30.503 30.300 0.000 0.000 0.869 144 R HN 0.135 nan 8.270 nan 0.000 0.437 145 V N -0.903 119.021 119.914 0.017 0.000 2.795 145 V HA 0.242 4.362 4.120 -0.000 0.000 0.243 145 V C 1.534 177.654 176.094 0.044 0.000 1.069 145 V CA 1.119 63.444 62.300 0.043 0.000 1.089 145 V CB 0.353 32.221 31.823 0.076 0.000 0.756 145 V HN 0.700 nan 8.190 nan 0.000 0.471 146 G N 0.341 109.156 108.800 0.024 0.000 2.195 146 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.246 146 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.246 146 G C -0.189 174.739 174.900 0.047 0.000 0.984 146 G CA 0.324 45.443 45.100 0.032 0.000 0.633 146 G HN 0.502 nan 8.290 nan 0.000 0.525 147 L N 0.650 121.900 121.223 0.046 0.000 2.441 147 L HA 0.885 5.225 4.340 -0.000 0.000 0.270 147 L C -0.721 176.177 176.870 0.048 0.000 0.973 147 L CA -1.116 53.740 54.840 0.026 0.000 0.842 147 L CB 2.214 44.236 42.059 -0.062 0.000 1.239 147 L HN 0.711 nan 8.230 nan 0.000 0.406 148 V N 6.736 126.661 119.914 0.019 0.000 2.777 148 V HA 0.647 4.767 4.120 -0.000 0.000 0.306 148 V C -1.365 174.846 176.094 0.195 0.000 1.112 148 V CA -0.297 62.065 62.300 0.103 0.000 0.917 148 V CB 2.186 33.885 31.823 -0.207 0.000 1.018 148 V HN 0.689 nan 8.190 nan 0.000 0.426 149 I N 6.624 127.465 120.570 0.451 0.000 2.439 149 I HA 0.768 4.938 4.170 -0.000 0.000 0.283 149 I C 0.175 176.606 176.117 0.522 0.000 1.023 149 I CA -0.455 61.137 61.300 0.486 0.000 1.100 149 I CB 1.757 40.076 38.000 0.532 0.000 1.238 149 I HN 0.791 nan 8.210 nan 0.000 0.445 150 A N 4.661 127.734 122.820 0.421 0.000 2.330 150 A HA 0.910 5.230 4.320 -0.000 0.000 0.329 150 A C -0.099 177.610 177.584 0.208 0.000 1.135 150 A CA -0.618 51.594 52.037 0.291 0.000 0.817 150 A CB 1.385 20.558 19.000 0.289 0.000 1.269 150 A HN 0.752 nan 8.150 nan 0.000 0.469 151 A N 0.983 123.886 122.820 0.139 0.000 2.440 151 A HA 0.459 4.779 4.320 -0.000 0.000 0.251 151 A C 0.347 177.966 177.584 0.059 0.000 1.089 151 A CA -0.187 51.919 52.037 0.116 0.000 0.779 151 A CB -0.183 18.870 19.000 0.089 0.000 1.022 151 A HN 0.842 nan 8.150 nan 0.000 0.492 152 Q N 0.969 120.802 119.800 0.054 0.000 2.361 152 Q HA 0.354 4.694 4.340 -0.000 0.000 0.276 152 Q C 0.270 176.271 176.000 0.002 0.000 1.022 152 Q CA 0.515 56.327 55.803 0.016 0.000 0.898 152 Q CB 0.599 29.351 28.738 0.022 0.000 1.246 152 Q HN 0.854 nan 8.270 nan 0.000 0.410 153 S N 0.564 116.250 115.700 -0.023 0.000 2.542 153 S HA 0.453 4.923 4.470 -0.000 0.000 0.293 153 S C -2.121 172.464 174.600 -0.025 0.000 1.089 153 S CA -1.428 56.757 58.200 -0.025 0.000 0.961 153 S CB 1.783 64.958 63.200 -0.042 0.000 1.062 153 S HN 0.466 nan 8.310 nan 0.000 0.483 154 P HA -0.038 nan 4.420 nan 0.000 0.236 154 P C 0.187 177.470 177.300 -0.027 0.000 1.172 154 P CA 0.723 63.813 63.100 -0.016 0.000 0.759 154 P CB -0.017 31.675 31.700 -0.012 0.000 0.843 155 D N -0.089 120.289 120.400 -0.038 0.000 2.144 155 D HA -0.054 4.586 4.640 -0.000 0.000 0.200 155 D C 0.692 176.963 176.300 -0.048 0.000 0.978 155 D CA 0.796 54.768 54.000 -0.046 0.000 0.833 155 D CB -0.022 40.744 40.800 -0.057 0.000 0.961 155 D HN 0.230 nan 8.370 nan 0.000 0.470 156 L N 0.239 121.431 121.223 -0.051 0.000 2.276 156 L HA 0.359 4.699 4.340 -0.000 0.000 0.286 156 L C 0.589 177.442 176.870 -0.028 0.000 1.061 156 L CA -0.486 54.325 54.840 -0.049 0.000 0.807 156 L CB 1.015 43.034 42.059 -0.066 0.000 1.177 156 L HN 0.076 nan 8.230 nan 0.000 0.429 157 A N 4.810 127.618 122.820 -0.020 0.000 2.560 157 A HA -0.148 4.172 4.320 -0.000 0.000 0.299 157 A C -1.197 176.390 177.584 0.004 0.000 1.484 157 A CA 0.558 52.593 52.037 -0.002 0.000 0.749 157 A CB -1.488 17.514 19.000 0.004 0.000 1.072 157 A HN 0.683 nan 8.150 nan 0.000 0.426 158 P HA -0.142 nan 4.420 nan 0.000 0.220 158 P C 1.453 178.752 177.300 -0.000 0.000 1.148 158 P CA 1.181 64.275 63.100 -0.011 0.000 0.803 158 P CB 0.089 31.769 31.700 -0.032 0.000 0.782 159 L N 1.086 122.315 121.223 0.009 0.000 2.141 159 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 159 L C 2.030 178.962 176.870 0.104 0.000 1.094 159 L CA 2.083 56.945 54.840 0.037 0.000 0.763 159 L CB -1.721 40.366 42.059 0.047 0.000 0.908 159 L HN -0.129 nan 8.230 nan 0.000 0.437 160 D N -0.954 119.503 120.400 0.095 0.000 2.117 160 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 160 D C 2.190 178.586 176.300 0.161 0.000 0.987 160 D CA 1.432 55.509 54.000 0.128 0.000 0.829 160 D CB -0.425 40.424 40.800 0.083 0.000 0.961 160 D HN 0.364 nan 8.370 nan 0.000 0.460 161 G N 0.157 109.025 108.800 0.114 0.000 2.422 161 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 161 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 161 G C 1.662 176.663 174.900 0.169 0.000 1.146 161 G CA 0.903 46.085 45.100 0.137 0.000 0.769 161 G HN 0.315 nan 8.290 nan 0.000 0.547 162 K N -0.216 120.255 120.400 0.119 0.000 2.025 162 K HA 0.132 4.451 4.320 -0.000 0.000 0.207 162 K C 2.516 179.268 176.600 0.254 0.000 1.049 162 K CA 0.629 56.983 56.287 0.111 0.000 0.933 162 K CB -0.251 32.216 32.500 -0.054 0.000 0.714 162 K HN 0.293 nan 8.250 nan 0.000 0.438 163 L N 0.063 121.473 121.223 0.313 0.000 2.083 163 L HA -0.205 4.134 4.340 -0.000 0.000 0.209 163 L C 2.439 179.456 176.870 0.245 0.000 1.083 163 L CA 1.233 56.270 54.840 0.329 0.000 0.752 163 L CB -0.462 41.787 42.059 0.316 0.000 0.899 163 L HN 0.302 nan 8.230 nan 0.000 0.433 164 Y N 0.617 121.004 120.300 0.146 0.000 2.181 164 Y HA -0.265 4.285 4.550 -0.000 0.000 0.288 164 Y C 2.445 178.410 175.900 0.108 0.000 1.146 164 Y CA 1.262 59.432 58.100 0.117 0.000 1.164 164 Y CB -0.287 38.230 38.460 0.094 0.000 0.982 164 Y HN 0.112 nan 8.280 nan 0.000 0.515 165 A N -0.144 122.714 122.820 0.063 0.000 1.972 165 A HA -0.172 4.147 4.320 -0.000 0.000 0.219 165 A C 2.144 179.697 177.584 -0.052 0.000 1.169 165 A CA 1.767 53.795 52.037 -0.016 0.000 0.635 165 A CB -1.073 17.983 19.000 0.093 0.000 0.810 165 A HN 0.535 nan 8.150 nan 0.000 0.446 166 L N -0.412 120.827 121.223 0.027 0.000 2.095 166 L HA 0.008 4.347 4.340 -0.000 0.000 0.204 166 L C 2.372 179.228 176.870 -0.023 0.000 1.080 166 L CA 1.700 56.563 54.840 0.040 0.000 0.759 166 L CB -0.599 41.528 42.059 0.113 0.000 0.914 166 L HN 0.323 nan 8.230 nan 0.000 0.439 167 R N -0.424 120.046 120.500 -0.050 0.000 2.105 167 R HA -0.193 4.146 4.340 -0.000 0.000 0.239 167 R C 1.867 178.080 176.300 -0.145 0.000 1.135 167 R CA 1.517 57.580 56.100 -0.063 0.000 0.967 167 R CB -0.528 29.756 30.300 -0.026 0.000 0.861 167 R HN 0.396 nan 8.270 nan 0.000 0.442 168 D N -0.081 120.137 120.400 -0.302 0.000 2.310 168 D HA -0.096 4.544 4.640 -0.000 0.000 0.212 168 D C 1.239 177.465 176.300 -0.123 0.000 0.965 168 D CA 0.786 54.617 54.000 -0.281 0.000 0.879 168 D CB 0.402 40.939 40.800 -0.437 0.000 0.921 168 D HN 0.192 nan 8.370 nan 0.000 0.510 169 V N -2.814 117.049 119.914 -0.085 0.000 3.380 169 V HA 0.331 4.451 4.120 -0.000 0.000 0.307 169 V C 1.044 177.119 176.094 -0.032 0.000 1.434 169 V CA 0.687 62.963 62.300 -0.041 0.000 1.075 169 V CB -0.035 31.777 31.823 -0.017 0.000 0.954 169 V HN 0.215 nan 8.190 nan 0.000 0.444 170 T N -3.236 111.292 114.554 -0.043 0.000 3.170 170 T HA 0.630 4.980 4.350 -0.000 0.000 0.288 170 T C 1.002 175.652 174.700 -0.084 0.000 0.992 170 T CA 0.553 62.626 62.100 -0.044 0.000 0.909 170 T CB 0.491 69.346 68.868 -0.021 0.000 1.133 170 T HN 1.760 nan 8.240 nan 0.000 0.530 171 A N 1.222 123.991 122.820 -0.086 0.000 2.822 171 A HA -0.140 4.179 4.320 -0.000 0.000 0.287 171 A C 1.075 178.546 177.584 -0.188 0.000 1.479 171 A CA 1.163 53.125 52.037 -0.126 0.000 0.779 171 A CB -2.675 16.227 19.000 -0.165 0.000 1.022 171 A HN 1.358 nan 8.150 nan 0.000 0.532 172 T N -3.975 110.545 114.554 -0.055 0.000 3.296 172 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 172 T C 1.077 175.928 174.700 0.251 0.000 1.014 172 T CA 0.448 62.606 62.100 0.097 0.000 0.920 172 T CB 0.313 69.225 68.868 0.073 0.000 1.143 172 T HN 0.520 nan 8.240 nan 0.000 0.522 173 V N 1.677 121.705 119.914 0.190 0.000 2.331 173 V HA 0.027 4.147 4.120 -0.000 0.000 0.242 173 V C 1.730 177.957 176.094 0.223 0.000 1.034 173 V CA 1.141 63.550 62.300 0.181 0.000 1.027 173 V CB -0.395 31.505 31.823 0.128 0.000 0.667 173 V HN 0.606 nan 8.190 nan 0.000 0.457 174 E N 1.225 121.594 120.200 0.281 0.000 3.265 174 E HA 0.034 4.384 4.350 -0.000 0.000 0.262 174 E C 0.191 176.772 176.600 -0.032 0.000 1.480 174 E CA 0.012 56.529 56.400 0.195 0.000 1.548 174 E CB -0.179 29.658 29.700 0.228 0.000 1.330 174 E HN 0.322 nan 8.360 nan 0.000 0.431 175 S N 0.173 115.764 115.700 -0.181 0.000 2.552 175 S HA 0.172 4.641 4.470 -0.000 0.000 0.314 175 S C 1.109 175.577 174.600 -0.220 0.000 1.099 175 S CA -0.771 57.132 58.200 -0.495 0.000 1.070 175 S CB 1.420 64.190 63.200 -0.716 0.000 0.998 175 S HN 0.107 nan 8.310 nan 0.000 0.474 176 V N 7.291 127.087 119.914 -0.196 0.000 2.250 176 V HA -0.117 4.003 4.120 -0.000 0.000 0.250 176 V C -0.917 175.126 176.094 -0.085 0.000 1.060 176 V CA 2.034 64.269 62.300 -0.109 0.000 1.030 176 V CB -1.471 30.291 31.823 -0.102 0.000 0.643 176 V HN 0.669 nan 8.190 nan 0.000 0.445 177 P HA -0.129 nan 4.420 nan 0.000 0.216 177 P C 1.868 179.155 177.300 -0.021 0.000 1.150 177 P CA 1.421 64.481 63.100 -0.067 0.000 0.837 177 P CB -0.055 31.592 31.700 -0.088 0.000 0.786 178 L N -1.796 119.410 121.223 -0.028 0.000 2.109 178 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 178 L C 2.363 179.273 176.870 0.067 0.000 1.086 178 L CA 1.164 56.030 54.840 0.043 0.000 0.760 178 L CB -0.722 41.369 42.059 0.052 0.000 0.910 178 L HN -0.058 nan 8.230 nan 0.000 0.437 179 I N 0.148 120.742 120.570 0.040 0.000 2.202 179 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 179 I C 2.847 178.978 176.117 0.023 0.000 1.091 179 I CA 1.127 62.460 61.300 0.054 0.000 1.368 179 I CB -0.446 37.581 38.000 0.045 0.000 1.058 179 I HN 0.158 nan 8.210 nan 0.000 0.410 180 A N 0.925 123.746 122.820 0.002 0.000 1.902 180 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 180 A C 2.514 180.091 177.584 -0.011 0.000 1.181 180 A CA 2.305 54.333 52.037 -0.015 0.000 0.623 180 A CB -0.908 18.079 19.000 -0.022 0.000 0.818 180 A HN 0.527 nan 8.150 nan 0.000 0.443 181 S N -0.669 115.041 115.700 0.017 0.000 2.402 181 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 181 S C 2.130 176.752 174.600 0.037 0.000 1.021 181 S CA 1.583 59.806 58.200 0.038 0.000 0.974 181 S CB -0.745 62.503 63.200 0.080 0.000 0.800 181 S HN 0.571 nan 8.310 nan 0.000 0.484 182 S N 1.796 117.523 115.700 0.045 0.000 2.348 182 S HA -0.009 4.461 4.470 -0.000 0.000 0.221 182 S C 1.835 176.417 174.600 -0.030 0.000 1.033 182 S CA 1.282 59.505 58.200 0.038 0.000 1.010 182 S CB -0.685 62.556 63.200 0.069 0.000 0.891 182 S HN 0.595 nan 8.310 nan 0.000 0.442 183 I N 1.333 121.855 120.570 -0.081 0.000 2.179 183 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 183 I C 2.493 178.495 176.117 -0.191 0.000 1.088 183 I CA 1.163 62.335 61.300 -0.215 0.000 1.357 183 I CB -0.311 37.482 38.000 -0.344 0.000 1.051 183 I HN 0.352 nan 8.210 nan 0.000 0.409 184 M N 0.453 119.983 119.600 -0.117 0.000 2.296 184 M HA -0.115 4.365 4.480 -0.000 0.000 0.265 184 M C 2.668 178.944 176.300 -0.039 0.000 1.064 184 M CA 1.690 56.945 55.300 -0.076 0.000 1.109 184 M CB -1.393 31.182 32.600 -0.042 0.000 1.396 184 M HN 0.388 nan 8.290 nan 0.000 0.430 185 S N 0.219 115.908 115.700 -0.018 0.000 2.382 185 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 185 S C 1.935 176.528 174.600 -0.013 0.000 1.027 185 S CA 0.976 59.179 58.200 0.004 0.000 0.991 185 S CB -0.365 62.852 63.200 0.029 0.000 0.823 185 S HN 0.461 nan 8.310 nan 0.000 0.469 186 K N 0.814 121.195 120.400 -0.031 0.000 2.097 186 K HA 0.060 4.380 4.320 -0.000 0.000 0.205 186 K C 2.226 178.804 176.600 -0.037 0.000 1.050 186 K CA 0.965 57.231 56.287 -0.034 0.000 0.938 186 K CB -0.052 32.425 32.500 -0.037 0.000 0.718 186 K HN 0.187 nan 8.250 nan 0.000 0.442 187 K N 1.083 121.452 120.400 -0.051 0.000 2.097 187 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 187 K C 2.087 178.673 176.600 -0.024 0.000 1.050 187 K CA 1.009 57.271 56.287 -0.041 0.000 0.938 187 K CB -0.344 32.123 32.500 -0.056 0.000 0.718 187 K HN 0.166 nan 8.250 nan 0.000 0.442 188 L N 0.409 121.621 121.223 -0.018 0.000 2.093 188 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 188 L C 2.432 179.297 176.870 -0.007 0.000 1.085 188 L CA 1.210 56.047 54.840 -0.005 0.000 0.755 188 L CB -0.605 41.458 42.059 0.007 0.000 0.904 188 L HN 0.077 nan 8.230 nan 0.000 0.435 189 A N -0.035 122.777 122.820 -0.015 0.000 2.015 189 A HA -0.059 4.260 4.320 -0.000 0.000 0.219 189 A C 2.410 179.973 177.584 -0.035 0.000 1.163 189 A CA 1.451 53.474 52.037 -0.023 0.000 0.646 189 A CB -0.462 18.520 19.000 -0.029 0.000 0.806 189 A HN 0.392 nan 8.150 nan 0.000 0.448 190 A N -1.817 120.983 122.820 -0.033 0.000 2.167 190 A HA 0.377 4.697 4.320 -0.000 0.000 0.214 190 A C 1.956 179.543 177.584 0.005 0.000 1.151 190 A CA 1.325 53.342 52.037 -0.034 0.000 0.735 190 A CB -0.863 18.120 19.000 -0.028 0.000 0.802 190 A HN 1.832 nan 8.150 nan 0.000 0.467 191 G N -1.928 106.875 108.800 0.005 0.000 2.162 191 G HA2 0.039 3.999 3.960 -0.000 0.000 0.260 191 G HA3 0.039 3.999 3.960 -0.000 0.000 0.260 191 G C 0.482 175.395 174.900 0.022 0.000 0.976 191 G CA 0.479 45.590 45.100 0.019 0.000 0.655 191 G HN 1.591 nan 8.290 nan 0.000 0.533 192 A N -0.381 122.445 122.820 0.010 0.000 2.386 192 A HA 0.726 5.046 4.320 -0.000 0.000 0.248 192 A C 1.291 178.884 177.584 0.015 0.000 1.082 192 A CA 1.054 53.094 52.037 0.006 0.000 0.789 192 A CB 0.380 19.365 19.000 -0.025 0.000 1.025 192 A HN 0.644 nan 8.150 nan 0.000 0.490 193 R N 0.386 120.902 120.500 0.026 0.000 2.112 193 R HA 0.081 4.421 4.340 -0.000 0.000 0.216 193 R C -0.112 176.208 176.300 0.034 0.000 1.080 193 R CA 1.244 57.363 56.100 0.032 0.000 0.996 193 R CB 0.111 30.436 30.300 0.042 0.000 0.902 193 R HN 0.628 nan 8.270 nan 0.000 0.449 194 S N 0.272 115.997 115.700 0.041 0.000 2.473 194 S HA 0.497 4.967 4.470 -0.000 0.000 0.307 194 S C -0.792 173.829 174.600 0.035 0.000 1.094 194 S CA -0.637 57.588 58.200 0.041 0.000 1.070 194 S CB 1.875 65.108 63.200 0.054 0.000 1.019 194 S HN 0.171 nan 8.310 nan 0.000 0.480 195 I N 2.498 123.088 120.570 0.033 0.000 2.447 195 I HA 0.423 4.593 4.170 -0.000 0.000 0.287 195 I C -0.614 175.533 176.117 0.050 0.000 1.023 195 I CA -0.870 60.451 61.300 0.035 0.000 1.083 195 I CB 1.893 39.905 38.000 0.021 0.000 1.245 195 I HN 0.317 nan 8.210 nan 0.000 0.434 196 V N 7.905 127.861 119.914 0.070 0.000 2.394 196 V HA 0.529 4.649 4.120 -0.000 0.000 0.282 196 V C -0.448 175.699 176.094 0.089 0.000 1.031 196 V CA -0.391 61.953 62.300 0.072 0.000 0.881 196 V CB 1.509 33.378 31.823 0.077 0.000 0.982 196 V HN 0.521 nan 8.190 nan 0.000 0.451 197 L N 5.968 127.239 121.223 0.080 0.000 2.282 197 L HA 0.556 4.896 4.340 -0.000 0.000 0.288 197 L C -0.457 176.459 176.870 0.077 0.000 1.033 197 L CA -0.528 54.374 54.840 0.104 0.000 0.807 197 L CB 1.581 43.698 42.059 0.098 0.000 1.209 197 L HN 0.563 nan 8.230 nan 0.000 0.423 198 D N 3.428 123.870 120.400 0.070 0.000 2.443 198 D HA 0.300 4.940 4.640 -0.000 0.000 0.221 198 D C -0.957 175.369 176.300 0.043 0.000 1.097 198 D CA -0.251 53.772 54.000 0.038 0.000 0.865 198 D CB 1.448 42.255 40.800 0.011 0.000 1.034 198 D HN 0.076 nan 8.370 nan 0.000 0.511 199 V N 4.918 124.862 119.914 0.051 0.000 2.347 199 V HA 0.347 4.467 4.120 -0.000 0.000 0.280 199 V C 0.515 176.643 176.094 0.056 0.000 1.021 199 V CA -0.703 61.632 62.300 0.059 0.000 0.847 199 V CB 1.423 33.281 31.823 0.059 0.000 0.990 199 V HN 0.316 nan 8.190 nan 0.000 0.444 200 K N 2.793 123.230 120.400 0.062 0.000 2.156 200 K HA 0.653 4.973 4.320 -0.000 0.000 0.254 200 K C -0.322 176.340 176.600 0.102 0.000 0.950 200 K CA -0.735 55.597 56.287 0.075 0.000 0.849 200 K CB 2.349 34.884 32.500 0.058 0.000 1.100 200 K HN 0.632 nan 8.250 nan 0.000 0.434 201 V N -0.079 119.914 119.914 0.133 0.000 2.924 201 V HA 0.346 4.466 4.120 -0.000 0.000 0.305 201 V C 0.664 176.855 176.094 0.161 0.000 1.073 201 V CA -0.311 62.076 62.300 0.144 0.000 1.098 201 V CB 0.698 32.650 31.823 0.215 0.000 1.000 201 V HN 0.837 nan 8.190 nan 0.000 0.484 202 G N 3.750 112.627 108.800 0.127 0.000 2.553 202 G HA2 0.386 4.346 3.960 -0.000 0.000 0.278 202 G HA3 0.386 4.346 3.960 -0.000 0.000 0.278 202 G C -0.059 174.914 174.900 0.120 0.000 1.349 202 G CA -1.132 44.041 45.100 0.123 0.000 1.037 202 G HN 0.934 nan 8.290 nan 0.000 0.508 203 R N -0.443 120.082 120.500 0.042 0.000 2.308 203 R HA 0.578 4.918 4.340 -0.000 0.000 0.305 203 R C 0.391 176.697 176.300 0.010 0.000 1.053 203 R CA 0.495 56.586 56.100 -0.015 0.000 0.957 203 R CB 0.989 31.170 30.300 -0.199 0.000 1.022 203 R HN 0.996 nan 8.270 nan 0.000 0.461 204 G N 0.824 109.647 108.800 0.038 0.000 2.325 204 G HA2 0.210 4.170 3.960 -0.000 0.000 0.285 204 G HA3 0.210 4.170 3.960 -0.000 0.000 0.285 204 G C -1.400 173.548 174.900 0.080 0.000 1.303 204 G CA -0.586 44.539 45.100 0.041 0.000 0.970 204 G HN 0.697 nan 8.290 nan 0.000 0.490 205 A N -0.676 122.185 122.820 0.069 0.000 2.546 205 A HA 0.486 4.806 4.320 -0.000 0.000 0.243 205 A C 1.056 178.727 177.584 0.144 0.000 1.063 205 A CA 0.883 52.977 52.037 0.095 0.000 0.757 205 A CB -0.046 18.989 19.000 0.059 0.000 0.991 205 A HN 1.702 nan 8.150 nan 0.000 0.503 206 F N 3.209 123.168 119.950 0.016 0.000 2.161 206 F HA -0.263 4.263 4.527 -0.000 0.000 0.300 206 F C 2.246 178.054 175.800 0.013 0.000 1.089 206 F CA 2.524 60.534 58.000 0.017 0.000 1.282 206 F CB -0.330 38.681 39.000 0.017 0.000 1.010 206 F HN 0.741 nan 8.300 nan 0.000 0.485 207 M N 0.316 119.884 119.600 -0.053 0.000 2.159 207 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 207 M C 1.989 178.194 176.300 -0.158 0.000 1.063 207 M CA 2.350 57.553 55.300 -0.161 0.000 1.110 207 M CB -1.000 31.572 32.600 -0.048 0.000 1.374 207 M HN 0.196 nan 8.290 nan 0.000 0.411 208 K N 1.210 121.562 120.400 -0.081 0.000 2.076 208 K HA -0.022 4.297 4.320 -0.000 0.000 0.204 208 K C 1.971 178.527 176.600 -0.073 0.000 1.051 208 K CA 1.840 58.089 56.287 -0.062 0.000 0.949 208 K CB -0.968 31.520 32.500 -0.021 0.000 0.726 208 K HN 0.493 nan 8.250 nan 0.000 0.443 209 T N -0.156 114.364 114.554 -0.057 0.000 2.867 209 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 209 T C 1.886 176.528 174.700 -0.098 0.000 1.057 209 T CA 0.888 62.971 62.100 -0.029 0.000 1.136 209 T CB -0.265 68.638 68.868 0.059 0.000 0.874 209 T HN 0.190 nan 8.240 nan 0.000 0.466 210 L N 1.232 122.289 121.223 -0.276 0.000 2.072 210 L HA 0.155 4.495 4.340 -0.000 0.000 0.205 210 L C 2.509 179.256 176.870 -0.206 0.000 1.079 210 L CA 1.646 56.274 54.840 -0.354 0.000 0.752 210 L CB -0.756 40.816 42.059 -0.812 0.000 0.906 210 L HN 0.259 nan 8.230 nan 0.000 0.436 211 E N -0.522 119.566 120.200 -0.186 0.000 2.085 211 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 211 E C 2.069 178.620 176.600 -0.083 0.000 0.994 211 E CA 1.612 57.941 56.400 -0.119 0.000 0.801 211 E CB -0.093 29.548 29.700 -0.098 0.000 0.743 211 E HN 0.614 nan 8.360 nan 0.000 0.453 212 E N 0.107 120.265 120.200 -0.070 0.000 2.072 212 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 212 E C 2.020 178.600 176.600 -0.033 0.000 0.985 212 E CA 0.820 57.193 56.400 -0.046 0.000 0.801 212 E CB -0.026 29.657 29.700 -0.028 0.000 0.750 212 E HN 0.223 nan 8.360 nan 0.000 0.452 213 A N 1.219 124.021 122.820 -0.029 0.000 1.933 213 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 213 A C 2.121 179.696 177.584 -0.016 0.000 1.175 213 A CA 1.339 53.372 52.037 -0.007 0.000 0.628 213 A CB -0.399 18.605 19.000 0.007 0.000 0.814 213 A HN 0.157 nan 8.150 nan 0.000 0.444 214 R N -1.277 119.200 120.500 -0.038 0.000 2.092 214 R HA -0.068 4.272 4.340 -0.000 0.000 0.231 214 R C 2.084 178.365 176.300 -0.032 0.000 1.119 214 R CA 1.341 57.420 56.100 -0.035 0.000 0.970 214 R CB -0.468 29.801 30.300 -0.052 0.000 0.864 214 R HN 0.483 nan 8.270 nan 0.000 0.440 215 L N 0.884 122.083 121.223 -0.040 0.000 2.093 215 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 215 L C 1.999 178.848 176.870 -0.035 0.000 1.085 215 L CA 1.376 56.191 54.840 -0.042 0.000 0.755 215 L CB -0.480 41.547 42.059 -0.053 0.000 0.904 215 L HN 0.105 nan 8.230 nan 0.000 0.435 216 L N -0.027 121.181 121.223 -0.026 0.000 2.017 216 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 216 L C 2.514 179.379 176.870 -0.008 0.000 1.073 216 L CA 2.148 56.979 54.840 -0.015 0.000 0.745 216 L CB -1.163 40.897 42.059 0.002 0.000 0.894 216 L HN 0.267 nan 8.230 nan 0.000 0.432 217 A N -0.323 122.496 122.820 -0.001 0.000 1.865 217 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 217 A C 2.474 180.054 177.584 -0.006 0.000 1.191 217 A CA 2.168 54.208 52.037 0.004 0.000 0.623 217 A CB -0.775 18.230 19.000 0.009 0.000 0.826 217 A HN 0.542 nan 8.150 nan 0.000 0.444 218 K N -0.961 119.431 120.400 -0.014 0.000 2.063 218 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 218 K C 1.962 178.548 176.600 -0.024 0.000 1.048 218 K CA 1.972 58.248 56.287 -0.019 0.000 0.928 218 K CB -0.381 32.104 32.500 -0.026 0.000 0.713 218 K HN 0.459 nan 8.250 nan 0.000 0.442 219 T N 1.360 115.897 114.554 -0.028 0.000 2.777 219 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 219 T C 1.852 176.535 174.700 -0.028 0.000 1.040 219 T CA 1.624 63.703 62.100 -0.034 0.000 1.141 219 T CB -0.087 68.757 68.868 -0.041 0.000 0.868 219 T HN 0.258 nan 8.240 nan 0.000 0.444 220 M N 0.588 120.175 119.600 -0.021 0.000 2.175 220 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 220 M C 2.429 178.721 176.300 -0.014 0.000 1.063 220 M CA 1.076 56.364 55.300 -0.020 0.000 1.119 220 M CB -0.524 32.065 32.600 -0.018 0.000 1.377 220 M HN 0.092 nan 8.290 nan 0.000 0.415 221 V N 0.432 120.340 119.914 -0.009 0.000 2.427 221 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 221 V C 2.636 178.725 176.094 -0.009 0.000 1.051 221 V CA 1.945 64.242 62.300 -0.005 0.000 1.048 221 V CB -1.087 30.735 31.823 -0.003 0.000 0.666 221 V HN 0.500 nan 8.190 nan 0.000 0.456 222 A N 0.004 122.814 122.820 -0.017 0.000 1.902 222 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 222 A C 2.169 179.740 177.584 -0.022 0.000 1.181 222 A CA 1.844 53.867 52.037 -0.023 0.000 0.623 222 A CB -0.514 18.464 19.000 -0.036 0.000 0.818 222 A HN 0.497 nan 8.150 nan 0.000 0.443 223 I N -0.253 120.304 120.570 -0.022 0.000 2.163 223 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 223 I C 2.726 178.842 176.117 -0.002 0.000 1.085 223 I CA 1.176 62.467 61.300 -0.015 0.000 1.347 223 I CB -0.712 37.280 38.000 -0.013 0.000 1.044 223 I HN 0.403 nan 8.210 nan 0.000 0.408 224 G N 0.122 108.921 108.800 -0.002 0.000 2.446 224 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 224 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 224 G C 1.547 176.453 174.900 0.010 0.000 1.168 224 G CA 0.559 45.662 45.100 0.005 0.000 0.771 224 G HN 0.421 nan 8.290 nan 0.000 0.551 225 Q N -0.047 119.756 119.800 0.006 0.000 2.061 225 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 225 Q C 2.855 178.864 176.000 0.014 0.000 0.984 225 Q CA 1.226 57.034 55.803 0.008 0.000 0.846 225 Q CB -0.482 28.257 28.738 0.002 0.000 0.902 225 Q HN 0.459 nan 8.270 nan 0.000 0.421 226 G N 0.444 109.250 108.800 0.010 0.000 2.443 226 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 226 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 226 G C 1.311 176.237 174.900 0.042 0.000 1.131 226 G CA 0.723 45.837 45.100 0.022 0.000 0.775 226 G HN 0.404 nan 8.290 nan 0.000 0.547 227 A N -0.530 122.311 122.820 0.036 0.000 2.218 227 A HA 0.489 4.809 4.320 -0.000 0.000 0.209 227 A C 1.899 179.504 177.584 0.035 0.000 1.168 227 A CA 1.221 53.284 52.037 0.043 0.000 0.804 227 A CB -0.267 18.755 19.000 0.037 0.000 0.834 227 A HN 1.539 nan 8.150 nan 0.000 0.482 228 G N -0.863 107.955 108.800 0.030 0.000 2.132 228 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.228 228 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.228 228 G C -0.014 174.900 174.900 0.023 0.000 1.000 228 G CA 0.078 45.194 45.100 0.027 0.000 0.693 228 G HN 0.412 nan 8.290 nan 0.000 0.515 229 R N -0.341 120.172 120.500 0.021 0.000 2.732 229 R HA 0.601 4.941 4.340 -0.000 0.000 0.278 229 R C 0.361 176.673 176.300 0.020 0.000 0.976 229 R CA -0.973 55.139 56.100 0.020 0.000 0.963 229 R CB 0.853 31.163 30.300 0.016 0.000 1.150 229 R HN 0.367 nan 8.270 nan 0.000 0.478 230 R N 0.796 121.310 120.500 0.023 0.000 2.202 230 R HA 0.474 4.814 4.340 -0.000 0.000 0.334 230 R C -0.475 175.839 176.300 0.023 0.000 1.036 230 R CA -0.516 55.598 56.100 0.024 0.000 0.878 230 R CB 1.040 31.358 30.300 0.030 0.000 1.067 230 R HN 0.175 nan 8.270 nan 0.000 0.457 231 V N 3.082 123.008 119.914 0.019 0.000 2.735 231 V HA 0.554 4.674 4.120 -0.000 0.000 0.310 231 V C -0.533 175.573 176.094 0.020 0.000 1.061 231 V CA -0.981 61.331 62.300 0.020 0.000 0.913 231 V CB 2.068 33.898 31.823 0.013 0.000 1.005 231 V HN 0.630 nan 8.190 nan 0.000 0.428 232 R N 2.756 123.271 120.500 0.026 0.000 2.564 232 R HA 0.822 5.162 4.340 -0.000 0.000 0.284 232 R C -1.080 175.238 176.300 0.031 0.000 1.031 232 R CA 0.025 56.140 56.100 0.024 0.000 0.904 232 R CB 1.834 32.149 30.300 0.024 0.000 1.199 232 R HN 1.003 nan 8.270 nan 0.000 0.443 233 A N 4.843 127.679 122.820 0.027 0.000 2.330 233 A HA 0.724 5.044 4.320 -0.000 0.000 0.327 233 A C -1.218 176.383 177.584 0.029 0.000 1.155 233 A CA -0.724 51.333 52.037 0.033 0.000 0.803 233 A CB 0.943 19.961 19.000 0.030 0.000 1.208 233 A HN 0.605 nan 8.150 nan 0.000 0.477 234 L N 2.675 123.918 121.223 0.033 0.000 2.349 234 L HA 0.367 4.707 4.340 -0.000 0.000 0.278 234 L C -1.280 175.611 176.870 0.034 0.000 0.996 234 L CA -0.782 54.076 54.840 0.029 0.000 0.825 234 L CB 1.628 43.702 42.059 0.025 0.000 1.243 234 L HN 0.542 nan 8.230 nan 0.000 0.412 235 L N 3.474 124.718 121.223 0.035 0.000 2.260 235 L HA 0.381 4.721 4.340 -0.000 0.000 0.289 235 L C 0.665 177.564 176.870 0.048 0.000 1.057 235 L CA 0.192 55.059 54.840 0.045 0.000 0.811 235 L CB 1.409 43.496 42.059 0.047 0.000 1.184 235 L HN 0.589 nan 8.230 nan 0.000 0.429 236 T N -0.562 114.020 114.554 0.045 0.000 2.895 236 T HA 0.707 5.057 4.350 -0.000 0.000 0.283 236 T C 0.294 175.020 174.700 0.043 0.000 1.014 236 T CA -0.787 61.333 62.100 0.034 0.000 1.037 236 T CB 1.500 70.376 68.868 0.013 0.000 1.006 236 T HN 0.543 nan 8.240 nan 0.000 0.468 237 S N 2.078 117.793 115.700 0.025 0.000 2.645 237 S HA 0.574 5.044 4.470 -0.000 0.000 0.266 237 S C 0.019 174.606 174.600 -0.021 0.000 1.258 237 S CA -1.018 57.189 58.200 0.011 0.000 0.990 237 S CB 0.692 63.881 63.200 -0.018 0.000 0.967 237 S HN 0.939 nan 8.310 nan 0.000 0.556 238 M N 1.080 120.655 119.600 -0.042 0.000 3.093 238 M HA 0.279 4.759 4.480 -0.000 0.000 0.336 238 M C -0.144 176.095 176.300 -0.102 0.000 1.637 238 M CA -0.036 55.218 55.300 -0.078 0.000 0.543 238 M CB 0.360 32.906 32.600 -0.090 0.000 1.571 238 M HN 0.878 nan 8.290 nan 0.000 0.431 239 E N 0.882 121.022 120.200 -0.101 0.000 2.481 239 E HA 0.255 4.605 4.350 -0.000 0.000 0.195 239 E C 0.209 176.730 176.600 -0.132 0.000 1.047 239 E CA 0.220 56.554 56.400 -0.110 0.000 0.867 239 E CB 0.503 30.143 29.700 -0.100 0.000 0.858 239 E HN 0.613 nan 8.360 nan 0.000 0.513 240 A N 0.975 123.712 122.820 -0.139 0.000 2.583 240 A HA 0.440 4.760 4.320 -0.000 0.000 0.292 240 A C -2.880 174.614 177.584 -0.149 0.000 1.045 240 A CA -1.274 50.664 52.037 -0.165 0.000 0.672 240 A CB 0.676 19.578 19.000 -0.163 0.000 1.283 240 A HN -0.180 nan 8.150 nan 0.000 0.419 241 P HA 0.327 nan 4.420 nan 0.000 0.269 241 P C -0.564 176.670 177.300 -0.109 0.000 1.217 241 P CA -0.210 62.812 63.100 -0.130 0.000 0.783 241 P CB 0.344 31.974 31.700 -0.118 0.000 0.898 242 L N 2.102 123.268 121.223 -0.094 0.000 2.319 242 L HA 0.495 4.835 4.340 -0.000 0.000 0.280 242 L C 0.855 177.675 176.870 -0.083 0.000 1.099 242 L CA 1.339 56.130 54.840 -0.081 0.000 0.828 242 L CB -0.754 41.263 42.059 -0.070 0.000 1.150 242 L HN 0.767 nan 8.230 nan 0.000 0.442 243 G N 4.857 113.606 108.800 -0.085 0.000 2.632 243 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.224 243 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.224 243 G C 0.474 175.290 174.900 -0.141 0.000 1.341 243 G CA 0.173 45.218 45.100 -0.092 0.000 0.880 243 G HN 0.663 nan 8.290 nan 0.000 0.566 244 R N -0.049 120.329 120.500 -0.204 0.000 2.287 244 R HA 0.533 4.873 4.340 -0.000 0.000 0.197 244 R C 1.275 177.372 176.300 -0.339 0.000 0.900 244 R CA 0.616 56.474 56.100 -0.403 0.000 1.052 244 R CB 0.566 30.348 30.300 -0.864 0.000 1.117 244 R HN 0.982 nan 8.270 nan 0.000 0.568 245 A N 1.624 124.371 122.820 -0.122 0.000 2.331 245 A HA 0.530 4.850 4.320 -0.000 0.000 0.283 245 A C -0.389 177.209 177.584 0.024 0.000 1.142 245 A CA -0.225 51.848 52.037 0.060 0.000 0.812 245 A CB 0.913 20.006 19.000 0.156 0.000 1.074 245 A HN -0.010 nan 8.150 nan 0.000 0.497 246 V N 2.449 122.399 119.914 0.061 0.000 2.482 246 V HA 0.788 4.907 4.120 -0.000 0.000 0.295 246 V C 0.619 176.753 176.094 0.067 0.000 1.026 246 V CA 0.546 62.871 62.300 0.040 0.000 0.856 246 V CB 0.748 32.590 31.823 0.032 0.000 1.001 246 V HN 1.760 nan 8.190 nan 0.000 0.424 247 G N 4.321 113.147 108.800 0.044 0.000 2.553 247 G HA2 0.075 4.034 3.960 -0.000 0.000 0.106 247 G HA3 0.075 4.034 3.960 -0.000 0.000 0.106 247 G C -0.281 174.642 174.900 0.038 0.000 1.126 247 G CA 0.316 45.448 45.100 0.052 0.000 1.075 247 G HN 0.430 nan 8.290 nan 0.000 0.472 248 N N -0.777 117.948 118.700 0.042 0.000 3.502 248 N HA 0.220 4.960 4.740 -0.000 0.000 0.226 248 N C 2.258 177.748 175.510 -0.033 0.000 1.133 248 N CA 0.692 53.768 53.050 0.043 0.000 1.143 248 N CB -0.086 38.514 38.487 0.188 0.000 1.346 248 N HN 0.622 nan 8.380 nan 0.000 0.720 249 A N 1.934 124.732 122.820 -0.037 0.000 1.940 249 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 249 A C 2.112 179.587 177.584 -0.181 0.000 1.176 249 A CA 1.142 53.102 52.037 -0.127 0.000 0.631 249 A CB -0.828 18.106 19.000 -0.110 0.000 0.814 249 A HN 0.397 nan 8.150 nan 0.000 0.446 250 I N -0.632 119.853 120.570 -0.143 0.000 2.361 250 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 250 I C 2.234 178.292 176.117 -0.098 0.000 1.133 250 I CA 1.570 62.779 61.300 -0.152 0.000 1.413 250 I CB -0.136 37.809 38.000 -0.091 0.000 1.073 250 I HN 0.444 nan 8.210 nan 0.000 0.424 251 E N -0.350 119.806 120.200 -0.073 0.000 2.158 251 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 251 E C 2.225 178.759 176.600 -0.110 0.000 0.982 251 E CA 1.007 57.369 56.400 -0.064 0.000 0.823 251 E CB 0.158 29.831 29.700 -0.046 0.000 0.766 251 E HN 0.374 nan 8.360 nan 0.000 0.468 252 V N 1.340 121.171 119.914 -0.139 0.000 2.427 252 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 252 V C 2.231 178.193 176.094 -0.220 0.000 1.051 252 V CA 1.499 63.714 62.300 -0.142 0.000 1.048 252 V CB -0.440 31.309 31.823 -0.124 0.000 0.666 252 V HN 0.182 nan 8.190 nan 0.000 0.456 253 R N -0.052 120.228 120.500 -0.368 0.000 2.091 253 R HA -0.231 4.108 4.340 -0.000 0.000 0.238 253 R C 2.395 178.573 176.300 -0.203 0.000 1.136 253 R CA 1.969 57.694 56.100 -0.626 0.000 0.959 253 R CB -0.301 29.534 30.300 -0.776 0.000 0.856 253 R HN 0.635 nan 8.270 nan 0.000 0.437 254 E N 0.424 120.561 120.200 -0.104 0.000 2.106 254 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 254 E C 1.924 178.494 176.600 -0.052 0.000 0.984 254 E CA 1.007 57.404 56.400 -0.005 0.000 0.806 254 E CB 0.001 29.721 29.700 0.033 0.000 0.750 254 E HN 0.356 nan 8.360 nan 0.000 0.458 255 A N 1.078 123.821 122.820 -0.128 0.000 1.902 255 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 255 A C 2.150 179.591 177.584 -0.239 0.000 1.181 255 A CA 1.348 53.251 52.037 -0.224 0.000 0.623 255 A CB -0.635 18.161 19.000 -0.339 0.000 0.818 255 A HN 0.336 nan 8.150 nan 0.000 0.443 256 I N -0.513 119.963 120.570 -0.157 0.000 2.179 256 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 256 I C 2.521 178.668 176.117 0.050 0.000 1.088 256 I CA 1.718 63.008 61.300 -0.017 0.000 1.357 256 I CB -0.453 37.677 38.000 0.218 0.000 1.051 256 I HN 0.434 nan 8.210 nan 0.000 0.409 257 E N 0.801 121.062 120.200 0.102 0.000 2.110 257 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 257 E C 2.330 178.942 176.600 0.021 0.000 0.988 257 E CA 1.265 57.719 56.400 0.090 0.000 0.804 257 E CB -0.181 29.595 29.700 0.127 0.000 0.745 257 E HN 0.525 nan 8.360 nan 0.000 0.458 258 A N 0.967 123.776 122.820 -0.019 0.000 1.933 258 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 258 A C 2.113 179.662 177.584 -0.059 0.000 1.175 258 A CA 0.970 52.980 52.037 -0.045 0.000 0.628 258 A CB -0.474 18.481 19.000 -0.076 0.000 0.814 258 A HN 0.145 nan 8.150 nan 0.000 0.444 259 L N -1.091 120.083 121.223 -0.083 0.000 2.376 259 L HA -0.052 4.288 4.340 -0.000 0.000 0.219 259 L C 1.913 178.767 176.870 -0.026 0.000 1.133 259 L CA 0.899 55.694 54.840 -0.075 0.000 0.816 259 L CB -0.180 41.809 42.059 -0.117 0.000 0.933 259 L HN 0.305 nan 8.230 nan 0.000 0.449 260 K N 0.041 120.435 120.400 -0.010 0.000 2.404 260 K HA 0.165 4.485 4.320 -0.000 0.000 0.194 260 K C 1.071 177.668 176.600 -0.005 0.000 1.023 260 K CA 0.560 56.848 56.287 0.001 0.000 1.094 260 K CB 0.453 32.958 32.500 0.008 0.000 0.841 260 K HN 0.320 nan 8.250 nan 0.000 0.523 261 G N 2.253 111.046 108.800 -0.011 0.000 2.137 261 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.237 261 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.237 261 G C 0.072 174.970 174.900 -0.004 0.000 1.002 261 G CA 0.199 45.292 45.100 -0.010 0.000 0.702 261 G HN 0.486 nan 8.290 nan 0.000 0.515 262 E N -0.489 119.712 120.200 0.003 0.000 2.758 262 E HA 0.375 4.725 4.350 -0.000 0.000 0.215 262 E C 1.404 178.019 176.600 0.024 0.000 0.985 262 E CA -0.010 56.398 56.400 0.013 0.000 1.102 262 E CB 0.940 30.650 29.700 0.017 0.000 1.042 262 E HN 0.501 nan 8.360 nan 0.000 0.480 263 G N 2.626 111.434 108.800 0.012 0.000 2.588 263 G HA2 0.314 4.274 3.960 -0.000 0.000 0.281 263 G HA3 0.314 4.274 3.960 -0.000 0.000 0.281 263 G C -2.158 172.747 174.900 0.009 0.000 1.236 263 G CA -0.989 44.119 45.100 0.014 0.000 0.969 263 G HN -0.095 nan 8.290 nan 0.000 0.504 264 P HA 0.119 nan 4.420 nan 0.000 0.271 264 P C 1.040 178.328 177.300 -0.019 0.000 1.216 264 P CA 0.173 63.268 63.100 -0.009 0.000 0.776 264 P CB 1.276 32.960 31.700 -0.026 0.000 0.881 265 G N 3.272 112.062 108.800 -0.017 0.000 2.440 265 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 265 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 265 G C 1.096 175.981 174.900 -0.026 0.000 1.154 265 G CA 0.952 46.041 45.100 -0.020 0.000 0.767 265 G HN 0.628 nan 8.290 nan 0.000 0.552 266 D N 1.003 121.384 120.400 -0.032 0.000 2.097 266 D HA -0.125 4.515 4.640 -0.000 0.000 0.195 266 D C 2.405 178.681 176.300 -0.041 0.000 0.989 266 D CA 1.015 54.993 54.000 -0.036 0.000 0.827 266 D CB -0.841 39.933 40.800 -0.044 0.000 0.966 266 D HN 0.292 nan 8.370 nan 0.000 0.456 267 L N -0.066 121.129 121.223 -0.046 0.000 2.012 267 L HA -0.091 4.248 4.340 -0.000 0.000 0.210 267 L C 2.446 179.285 176.870 -0.052 0.000 1.073 267 L CA 1.308 56.116 54.840 -0.053 0.000 0.748 267 L CB -0.897 41.128 42.059 -0.058 0.000 0.891 267 L HN 0.069 nan 8.230 nan 0.000 0.431 268 L N -0.140 121.055 121.223 -0.046 0.000 2.046 268 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 268 L C 2.592 179.439 176.870 -0.039 0.000 1.077 268 L CA 2.157 56.971 54.840 -0.045 0.000 0.747 268 L CB -0.707 41.331 42.059 -0.036 0.000 0.896 268 L HN 0.559 nan 8.230 nan 0.000 0.432 269 E N -1.097 119.084 120.200 -0.032 0.000 2.051 269 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 269 E C 2.073 178.657 176.600 -0.026 0.000 0.991 269 E CA 1.841 58.225 56.400 -0.026 0.000 0.799 269 E CB -0.030 29.657 29.700 -0.022 0.000 0.748 269 E HN 0.356 nan 8.360 nan 0.000 0.449 270 V N 1.161 121.058 119.914 -0.030 0.000 2.358 270 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 270 V C 2.448 178.524 176.094 -0.031 0.000 1.047 270 V CA 1.671 63.955 62.300 -0.027 0.000 1.035 270 V CB -0.725 31.080 31.823 -0.030 0.000 0.658 270 V HN 0.445 nan 8.190 nan 0.000 0.452 271 A N -0.117 122.677 122.820 -0.044 0.000 1.877 271 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 271 A C 2.220 179.775 177.584 -0.047 0.000 1.186 271 A CA 1.801 53.804 52.037 -0.056 0.000 0.620 271 A CB -0.549 18.405 19.000 -0.077 0.000 0.822 271 A HN 0.493 nan 8.150 nan 0.000 0.443 272 L N -0.905 120.294 121.223 -0.041 0.000 2.093 272 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 272 L C 3.093 179.950 176.870 -0.022 0.000 1.085 272 L CA 0.890 55.710 54.840 -0.033 0.000 0.755 272 L CB -0.538 41.503 42.059 -0.030 0.000 0.904 272 L HN 0.458 nan 8.230 nan 0.000 0.435 273 A N 0.303 123.112 122.820 -0.017 0.000 1.877 273 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 273 A C 2.226 179.809 177.584 -0.002 0.000 1.186 273 A CA 1.495 53.527 52.037 -0.008 0.000 0.620 273 A CB -0.660 18.337 19.000 -0.006 0.000 0.822 273 A HN 0.351 nan 8.150 nan 0.000 0.443 274 L N -0.891 120.331 121.223 -0.002 0.000 2.056 274 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 274 L C 3.083 179.963 176.870 0.016 0.000 1.078 274 L CA 0.993 55.840 54.840 0.013 0.000 0.749 274 L CB -0.524 41.545 42.059 0.016 0.000 0.901 274 L HN 0.417 nan 8.230 nan 0.000 0.433 275 A N -0.049 122.768 122.820 -0.004 0.000 1.902 275 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 275 A C 2.179 179.762 177.584 -0.001 0.000 1.181 275 A CA 1.663 53.696 52.037 -0.007 0.000 0.623 275 A CB -0.429 18.549 19.000 -0.038 0.000 0.818 275 A HN 0.441 nan 8.150 nan 0.000 0.443 276 E N -0.441 119.755 120.200 -0.006 0.000 2.110 276 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 276 E C 1.991 178.592 176.600 0.001 0.000 0.988 276 E CA 1.084 57.480 56.400 -0.006 0.000 0.804 276 E CB -0.086 29.610 29.700 -0.008 0.000 0.745 276 E HN 0.508 nan 8.360 nan 0.000 0.458 277 E N 0.486 120.691 120.200 0.009 0.000 2.077 277 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 277 E C 2.056 178.668 176.600 0.021 0.000 0.989 277 E CA 1.047 57.456 56.400 0.015 0.000 0.800 277 E CB -0.280 29.433 29.700 0.022 0.000 0.746 277 E HN 0.248 nan 8.360 nan 0.000 0.452 278 A N 1.151 123.990 122.820 0.031 0.000 1.902 278 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 278 A C 2.407 180.003 177.584 0.021 0.000 1.181 278 A CA 1.077 53.141 52.037 0.044 0.000 0.623 278 A CB -0.695 18.351 19.000 0.077 0.000 0.818 278 A HN 0.180 nan 8.150 nan 0.000 0.443 279 L N -1.124 120.100 121.223 0.002 0.000 2.046 279 L HA -0.194 4.145 4.340 -0.000 0.000 0.208 279 L C 2.895 179.746 176.870 -0.031 0.000 1.077 279 L CA 1.457 56.279 54.840 -0.031 0.000 0.747 279 L CB -0.484 41.554 42.059 -0.035 0.000 0.896 279 L HN 0.361 nan 8.230 nan 0.000 0.432 280 R N -0.009 120.483 120.500 -0.013 0.000 2.073 280 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 280 R C 2.310 178.610 176.300 0.001 0.000 1.134 280 R CA 1.217 57.312 56.100 -0.008 0.000 0.952 280 R CB -0.491 29.809 30.300 -0.000 0.000 0.850 280 R HN 0.314 nan 8.270 nan 0.000 0.433 281 L N 0.814 122.043 121.223 0.010 0.000 2.127 281 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 281 L C 1.900 178.786 176.870 0.027 0.000 1.089 281 L CA 1.101 55.953 54.840 0.021 0.000 0.757 281 L CB -0.253 41.824 42.059 0.030 0.000 0.899 281 L HN 0.173 nan 8.230 nan 0.000 0.434 282 E N -0.085 120.125 120.200 0.016 0.000 2.489 282 E HA 0.041 4.391 4.350 -0.000 0.000 0.193 282 E C 1.352 177.949 176.600 -0.006 0.000 1.057 282 E CA 0.663 57.079 56.400 0.027 0.000 0.866 282 E CB 0.274 29.968 29.700 -0.011 0.000 0.916 282 E HN 0.475 nan 8.360 nan 0.000 0.500 283 G N 1.416 110.209 108.800 -0.012 0.000 2.160 283 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.251 283 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.251 283 G C 0.252 175.123 174.900 -0.049 0.000 1.008 283 G CA 0.525 45.618 45.100 -0.012 0.000 0.724 283 G HN 0.211 nan 8.290 nan 0.000 0.514 284 L N -0.524 120.642 121.223 -0.095 0.000 2.365 284 L HA 0.555 4.895 4.340 -0.000 0.000 0.267 284 L C 0.446 177.277 176.870 -0.064 0.000 1.033 284 L CA -1.118 53.652 54.840 -0.117 0.000 0.802 284 L CB 0.915 42.850 42.059 -0.206 0.000 1.267 284 L HN 0.123 nan 8.230 nan 0.000 0.457 285 D N 1.000 121.369 120.400 -0.052 0.000 2.358 285 D HA 0.117 4.757 4.640 -0.000 0.000 0.258 285 D C -1.802 174.479 176.300 -0.031 0.000 1.223 285 D CA -1.579 52.401 54.000 -0.032 0.000 0.886 285 D CB 1.377 42.163 40.800 -0.024 0.000 1.120 285 D HN 0.127 nan 8.370 nan 0.000 0.482 286 P HA -0.131 nan 4.420 nan 0.000 0.218 286 P C 0.938 178.226 177.300 -0.019 0.000 1.148 286 P CA 1.304 64.391 63.100 -0.021 0.000 0.822 286 P CB 0.118 31.810 31.700 -0.014 0.000 0.784 287 A N -0.703 122.107 122.820 -0.017 0.000 2.076 287 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 287 A C 2.067 179.641 177.584 -0.017 0.000 1.160 287 A CA 1.162 53.190 52.037 -0.015 0.000 0.653 287 A CB -1.587 17.406 19.000 -0.012 0.000 0.801 287 A HN 0.166 nan 8.150 nan 0.000 0.455 288 L N -1.121 120.090 121.223 -0.020 0.000 2.191 288 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 288 L C 3.049 179.906 176.870 -0.021 0.000 1.103 288 L CA 0.826 55.654 54.840 -0.020 0.000 0.769 288 L CB -0.608 41.436 42.059 -0.025 0.000 0.908 288 L HN 0.466 nan 8.230 nan 0.000 0.438 289 A N 0.375 123.180 122.820 -0.024 0.000 1.851 289 A HA -0.267 4.053 4.320 -0.000 0.000 0.216 289 A C 2.446 180.013 177.584 -0.028 0.000 1.195 289 A CA 1.912 53.931 52.037 -0.029 0.000 0.622 289 A CB -0.619 18.363 19.000 -0.029 0.000 0.831 289 A HN 0.326 nan 8.150 nan 0.000 0.444 290 R N -0.683 119.803 120.500 -0.023 0.000 2.096 290 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 290 R C 1.984 178.273 176.300 -0.018 0.000 1.127 290 R CA 1.494 57.581 56.100 -0.022 0.000 0.968 290 R CB -0.109 30.180 30.300 -0.018 0.000 0.861 290 R HN 0.300 nan 8.270 nan 0.000 0.440 291 K N 0.094 120.484 120.400 -0.016 0.000 2.057 291 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 291 K C 1.958 178.551 176.600 -0.011 0.000 1.049 291 K CA 1.379 57.659 56.287 -0.012 0.000 0.931 291 K CB -0.329 32.165 32.500 -0.010 0.000 0.714 291 K HN 0.239 nan 8.250 nan 0.000 0.440 292 A N 1.265 124.077 122.820 -0.015 0.000 1.933 292 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 292 A C 2.203 179.777 177.584 -0.016 0.000 1.175 292 A CA 1.144 53.173 52.037 -0.013 0.000 0.628 292 A CB -0.459 18.530 19.000 -0.019 0.000 0.814 292 A HN 0.216 nan 8.150 nan 0.000 0.444 293 L N 0.120 121.329 121.223 -0.024 0.000 1.988 293 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 293 L C 2.209 179.068 176.870 -0.019 0.000 1.071 293 L CA 2.449 57.272 54.840 -0.028 0.000 0.744 293 L CB -0.701 41.336 42.059 -0.037 0.000 0.893 293 L HN 0.502 nan 8.230 nan 0.000 0.433 294 E N -0.741 119.449 120.200 -0.016 0.000 2.204 294 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 294 E C 1.906 178.502 176.600 -0.007 0.000 0.989 294 E CA 0.826 57.219 56.400 -0.012 0.000 0.824 294 E CB -0.377 29.316 29.700 -0.011 0.000 0.756 294 E HN 0.691 nan 8.360 nan 0.000 0.477 295 G N -0.009 108.788 108.800 -0.005 0.000 2.712 295 G HA2 0.095 4.055 3.960 -0.000 0.000 0.212 295 G HA3 0.095 4.055 3.960 -0.000 0.000 0.212 295 G C 1.145 176.046 174.900 0.003 0.000 1.142 295 G CA 0.374 45.473 45.100 -0.001 0.000 0.789 295 G HN 0.410 nan 8.290 nan 0.000 0.535 296 G N -0.777 108.025 108.800 0.003 0.000 2.176 296 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.232 296 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.232 296 G C 1.381 176.293 174.900 0.020 0.000 0.986 296 G CA 1.017 46.123 45.100 0.011 0.000 0.643 296 G HN 1.124 nan 8.290 nan 0.000 0.522 297 A N 0.482 123.311 122.820 0.015 0.000 1.933 297 A HA 0.410 4.730 4.320 -0.000 0.000 0.218 297 A C 2.793 180.395 177.584 0.031 0.000 1.175 297 A CA 2.664 54.714 52.037 0.022 0.000 0.628 297 A CB -0.763 18.246 19.000 0.015 0.000 0.814 297 A HN 1.787 nan 8.150 nan 0.000 0.444 298 A N -0.532 122.298 122.820 0.017 0.000 1.930 298 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 298 A C 2.107 179.731 177.584 0.067 0.000 1.175 298 A CA 1.639 53.686 52.037 0.017 0.000 0.627 298 A CB -0.547 18.437 19.000 -0.028 0.000 0.815 298 A HN 0.673 nan 8.150 nan 0.000 0.443 299 L N 0.184 121.444 121.223 0.062 0.000 2.046 299 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 299 L C 2.145 179.110 176.870 0.159 0.000 1.077 299 L CA 2.357 57.265 54.840 0.112 0.000 0.747 299 L CB -0.650 41.452 42.059 0.071 0.000 0.896 299 L HN 0.508 nan 8.230 nan 0.000 0.432 300 E N -0.626 119.637 120.200 0.104 0.000 2.110 300 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 300 E C 2.070 178.738 176.600 0.114 0.000 0.988 300 E CA 1.158 57.614 56.400 0.094 0.000 0.804 300 E CB -0.075 29.661 29.700 0.060 0.000 0.745 300 E HN 0.268 nan 8.360 nan 0.000 0.458 301 K N 0.937 121.410 120.400 0.121 0.000 2.057 301 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 301 K C 1.738 178.470 176.600 0.219 0.000 1.049 301 K CA 1.040 57.407 56.287 0.132 0.000 0.931 301 K CB -0.515 32.040 32.500 0.092 0.000 0.714 301 K HN 0.055 nan 8.250 nan 0.000 0.440 302 F N 1.292 121.303 119.950 0.101 0.000 2.134 302 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 302 F C 2.292 178.230 175.800 0.230 0.000 1.097 302 F CA 1.738 59.855 58.000 0.195 0.000 1.264 302 F CB -0.274 38.791 39.000 0.108 0.000 1.001 302 F HN 0.022 nan 8.300 nan 0.000 0.479 303 R N 0.130 120.713 120.500 0.139 0.000 2.081 303 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 303 R C 2.344 178.628 176.300 -0.026 0.000 1.131 303 R CA 1.288 57.394 56.100 0.010 0.000 0.960 303 R CB -0.594 29.752 30.300 0.077 0.000 0.856 303 R HN 0.360 nan 8.270 nan 0.000 0.436 304 A N 0.451 123.298 122.820 0.044 0.000 1.930 304 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 304 A C 1.922 179.536 177.584 0.050 0.000 1.175 304 A CA 1.228 53.290 52.037 0.042 0.000 0.627 304 A CB -0.721 18.320 19.000 0.068 0.000 0.815 304 A HN 0.572 nan 8.150 nan 0.000 0.443 305 F N 0.727 120.644 119.950 -0.055 0.000 2.146 305 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 305 F C 1.744 177.535 175.800 -0.016 0.000 1.096 305 F CA 1.500 59.481 58.000 -0.031 0.000 1.275 305 F CB -0.443 38.545 39.000 -0.021 0.000 1.008 305 F HN 0.127 nan 8.300 nan 0.000 0.480 306 L N 0.390 121.238 121.223 -0.626 0.000 2.017 306 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 306 L C 2.656 179.375 176.870 -0.252 0.000 1.073 306 L CA 2.097 56.596 54.840 -0.568 0.000 0.745 306 L CB -0.915 40.855 42.059 -0.481 0.000 0.894 306 L HN 0.306 nan 8.230 nan 0.000 0.432 307 E N 0.355 120.449 120.200 -0.176 0.000 2.072 307 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 307 E C 2.200 178.735 176.600 -0.108 0.000 0.985 307 E CA 1.103 57.440 56.400 -0.106 0.000 0.801 307 E CB 0.007 29.669 29.700 -0.063 0.000 0.750 307 E HN 0.443 nan 8.360 nan 0.000 0.452 308 A N 0.710 123.469 122.820 -0.103 0.000 2.019 308 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 308 A C 1.749 179.248 177.584 -0.141 0.000 1.164 308 A CA 1.292 53.280 52.037 -0.081 0.000 0.644 308 A CB -0.231 18.758 19.000 -0.017 0.000 0.805 308 A HN 0.340 nan 8.150 nan 0.000 0.449 309 Q N -1.661 117.992 119.800 -0.245 0.000 2.201 309 Q HA 0.347 4.687 4.340 -0.000 0.000 0.217 309 Q C 0.896 176.651 176.000 -0.409 0.000 0.860 309 Q CA 0.249 55.809 55.803 -0.404 0.000 0.984 309 Q CB 0.385 28.696 28.738 -0.712 0.000 1.095 309 Q HN 0.813 nan 8.270 nan 0.000 0.477 310 G N 0.214 108.879 108.800 -0.225 0.000 2.213 310 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 310 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 310 G C 0.459 175.309 174.900 -0.083 0.000 0.991 310 G CA -0.370 44.638 45.100 -0.152 0.000 0.629 310 G HN 0.545 nan 8.290 nan 0.000 0.517 311 G N -0.238 108.532 108.800 -0.050 0.000 2.539 311 G HA2 0.435 4.395 3.960 -0.000 0.000 0.258 311 G HA3 0.435 4.395 3.960 -0.000 0.000 0.258 311 G C -0.512 174.371 174.900 -0.028 0.000 1.202 311 G CA 0.411 45.518 45.100 0.012 0.000 0.851 311 G HN 0.215 nan 8.290 nan 0.000 0.556 312 D N 1.438 121.828 120.400 -0.017 0.000 2.352 312 D HA 0.167 4.807 4.640 -0.000 0.000 0.245 312 D C -0.803 175.485 176.300 -0.020 0.000 1.224 312 D CA -2.084 51.907 54.000 -0.016 0.000 0.879 312 D CB 1.601 42.399 40.800 -0.003 0.000 1.057 312 D HN 0.062 nan 8.370 nan 0.000 0.491 313 P HA -0.146 nan 4.420 nan 0.000 0.223 313 P C 0.963 178.270 177.300 0.013 0.000 1.144 313 P CA 0.614 63.701 63.100 -0.023 0.000 0.783 313 P CB 0.325 32.011 31.700 -0.024 0.000 0.771 314 R N -0.004 120.506 120.500 0.016 0.000 2.241 314 R HA 0.029 4.369 4.340 -0.000 0.000 0.224 314 R C 2.372 178.708 176.300 0.059 0.000 1.101 314 R CA 0.922 57.039 56.100 0.029 0.000 0.995 314 R CB -0.746 29.565 30.300 0.019 0.000 0.870 314 R HN 0.160 nan 8.270 nan 0.000 0.463 315 A N 0.779 123.639 122.820 0.067 0.000 2.024 315 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 315 A C 2.233 179.951 177.584 0.223 0.000 1.164 315 A CA 1.157 53.265 52.037 0.119 0.000 0.643 315 A CB -0.300 18.737 19.000 0.061 0.000 0.806 315 A HN 0.124 nan 8.150 nan 0.000 0.451 316 V N -0.348 119.672 119.914 0.177 0.000 2.515 316 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 316 V C 2.228 178.411 176.094 0.148 0.000 1.058 316 V CA 2.348 64.786 62.300 0.229 0.000 1.064 316 V CB -0.555 31.373 31.823 0.175 0.000 0.675 316 V HN 0.632 nan 8.190 nan 0.000 0.461 317 E N -0.829 119.408 120.200 0.061 0.000 2.389 317 E HA 0.066 4.416 4.350 -0.000 0.000 0.199 317 E C 0.411 176.951 176.600 -0.100 0.000 0.978 317 E CA 0.231 56.603 56.400 -0.048 0.000 0.912 317 E CB 0.261 29.944 29.700 -0.028 0.000 0.907 317 E HN 0.510 nan 8.360 nan 0.000 0.494 318 D N -0.478 119.929 120.400 0.012 0.000 2.420 318 D HA 0.101 4.740 4.640 -0.000 0.000 0.255 318 D C -0.367 176.058 176.300 0.207 0.000 1.185 318 D CA -0.512 53.507 54.000 0.030 0.000 0.904 318 D CB 0.129 40.946 40.800 0.028 0.000 1.102 318 D HN -0.200 nan 8.370 nan 0.000 0.534 319 F N 1.544 121.481 119.950 -0.021 0.000 2.722 319 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 319 F C 2.462 178.241 175.800 -0.035 0.000 1.175 319 F CA 0.522 58.503 58.000 -0.032 0.000 1.462 319 F CB -1.004 37.968 39.000 -0.046 0.000 1.111 319 F HN 0.411 nan 8.300 nan 0.000 0.592 320 S N -0.648 115.142 115.700 0.151 0.000 2.507 320 S HA -0.088 4.382 4.470 -0.000 0.000 0.235 320 S C 1.756 176.388 174.600 0.053 0.000 0.988 320 S CA 0.568 58.812 58.200 0.074 0.000 0.944 320 S CB -0.651 62.576 63.200 0.046 0.000 0.762 320 S HN 0.454 nan 8.310 nan 0.000 0.526 321 L N 0.003 121.267 121.223 0.068 0.000 2.509 321 L HA 0.357 4.696 4.340 -0.000 0.000 0.222 321 L C 0.499 177.370 176.870 0.002 0.000 1.123 321 L CA 0.442 55.304 54.840 0.036 0.000 0.856 321 L CB -0.083 42.003 42.059 0.045 0.000 0.985 321 L HN 0.309 nan 8.230 nan 0.000 0.456 322 L N 1.712 122.927 121.223 -0.013 0.000 2.839 322 L HA 0.304 4.644 4.340 -0.000 0.000 0.259 322 L C -2.211 174.602 176.870 -0.095 0.000 1.369 322 L CA -1.488 53.294 54.840 -0.097 0.000 0.845 322 L CB 0.534 42.459 42.059 -0.224 0.000 1.181 322 L HN -0.115 nan 8.230 nan 0.000 0.529 323 P HA 0.072 nan 4.420 nan 0.000 0.268 323 P C -0.544 176.711 177.300 -0.076 0.000 1.205 323 P CA 0.263 63.337 63.100 -0.043 0.000 0.771 323 P CB 1.380 33.074 31.700 -0.010 0.000 0.858 324 L N 1.719 122.877 121.223 -0.108 0.000 2.334 324 L HA 0.636 4.976 4.340 -0.000 0.000 0.270 324 L C 1.156 178.009 176.870 -0.029 0.000 1.018 324 L CA -1.109 53.635 54.840 -0.159 0.000 0.811 324 L CB 1.499 43.287 42.059 -0.452 0.000 1.271 324 L HN 0.411 nan 8.230 nan 0.000 0.443 325 A N 0.706 123.551 122.820 0.043 0.000 2.445 325 A HA 0.196 4.516 4.320 -0.000 0.000 0.270 325 A C 0.032 177.668 177.584 0.086 0.000 1.495 325 A CA -0.234 51.834 52.037 0.051 0.000 0.840 325 A CB 0.063 19.082 19.000 0.031 0.000 1.472 325 A HN 0.758 nan 8.150 nan 0.000 0.541 326 E N 0.090 120.218 120.200 -0.120 0.000 2.376 326 E HA 0.142 4.492 4.350 -0.000 0.000 0.266 326 E C -0.190 176.310 176.600 -0.168 0.000 1.009 326 E CA 0.030 56.310 56.400 -0.201 0.000 0.902 326 E CB 0.320 29.752 29.700 -0.447 0.000 0.972 326 E HN 0.487 nan 8.360 nan 0.000 0.439 327 E N 3.503 123.684 120.200 -0.032 0.000 2.283 327 E HA 0.084 4.434 4.350 -0.000 0.000 0.278 327 E C -1.318 175.289 176.600 0.011 0.000 1.027 327 E CA -0.433 55.860 56.400 -0.178 0.000 0.843 327 E CB 0.667 30.304 29.700 -0.105 0.000 1.062 327 E HN 0.462 nan 8.360 nan 0.000 0.401 328 H N 4.833 123.828 119.070 -0.126 0.000 2.934 328 H HA 0.374 4.930 4.556 -0.000 0.000 0.340 328 H C -2.661 172.619 175.328 -0.080 0.000 1.008 328 H CA -2.016 54.019 56.048 -0.023 0.000 1.317 328 H CB 1.658 31.459 29.762 0.065 0.000 1.670 328 H HN 0.317 nan 8.280 nan 0.000 0.516 329 P HA 0.137 nan 4.420 nan 0.000 0.285 329 P C -0.943 176.109 177.300 -0.414 0.000 1.259 329 P CA -0.716 62.170 63.100 -0.356 0.000 0.794 329 P CB 1.883 33.436 31.700 -0.245 0.000 0.940 330 L N 4.858 125.958 121.223 -0.206 0.000 2.259 330 L HA 0.373 4.713 4.340 -0.000 0.000 0.288 330 L C 0.141 176.918 176.870 -0.154 0.000 1.051 330 L CA -0.295 54.461 54.840 -0.140 0.000 0.824 330 L CB 0.220 42.237 42.059 -0.069 0.000 1.206 330 L HN 0.255 nan 8.230 nan 0.000 0.429 331 R N 4.104 124.520 120.500 -0.140 0.000 2.428 331 R HA 0.710 5.050 4.340 -0.000 0.000 0.294 331 R C -0.116 176.114 176.300 -0.116 0.000 1.000 331 R CA -0.581 55.444 56.100 -0.125 0.000 0.960 331 R CB 1.302 31.541 30.300 -0.102 0.000 1.076 331 R HN 0.811 nan 8.270 nan 0.000 0.475 332 A N 2.248 124.993 122.820 -0.125 0.000 2.520 332 A HA 0.021 4.341 4.320 -0.000 0.000 0.245 332 A C 0.093 177.634 177.584 -0.071 0.000 1.072 332 A CA 0.061 52.031 52.037 -0.113 0.000 0.761 332 A CB 0.088 19.021 19.000 -0.112 0.000 1.004 332 A HN 0.856 nan 8.150 nan 0.000 0.499 333 E N 1.387 121.554 120.200 -0.055 0.000 2.609 333 E HA 0.199 4.548 4.350 -0.000 0.000 0.208 333 E C -0.147 176.437 176.600 -0.027 0.000 1.013 333 E CA -0.093 56.286 56.400 -0.036 0.000 1.093 333 E CB 0.089 29.772 29.700 -0.028 0.000 1.129 333 E HN 0.739 nan 8.360 nan 0.000 0.450 334 R N -0.259 120.222 120.500 -0.031 0.000 2.780 334 R HA 0.351 4.691 4.340 -0.000 0.000 0.280 334 R C -1.410 174.875 176.300 -0.025 0.000 1.016 334 R CA -1.115 54.971 56.100 -0.022 0.000 0.854 334 R CB 0.777 31.069 30.300 -0.014 0.000 1.293 334 R HN 0.011 nan 8.270 nan 0.000 0.483 335 E N -0.101 120.088 120.200 -0.018 0.000 2.359 335 E HA 0.857 5.207 4.350 -0.000 0.000 0.266 335 E C -0.126 176.467 176.600 -0.012 0.000 0.920 335 E CA -0.850 55.539 56.400 -0.018 0.000 0.788 335 E CB 2.352 32.042 29.700 -0.016 0.000 1.279 335 E HN 0.973 nan 8.360 nan 0.000 0.438 336 G N -0.384 108.409 108.800 -0.012 0.000 2.332 336 G HA2 0.232 4.192 3.960 -0.000 0.000 0.265 336 G HA3 0.232 4.192 3.960 -0.000 0.000 0.265 336 G C -1.569 173.325 174.900 -0.011 0.000 1.329 336 G CA -0.359 44.734 45.100 -0.010 0.000 0.949 336 G HN 0.598 nan 8.290 nan 0.000 0.476 337 V N 0.431 120.336 119.914 -0.014 0.000 2.540 337 V HA 0.578 4.698 4.120 -0.000 0.000 0.302 337 V C 0.555 176.647 176.094 -0.004 0.000 1.035 337 V CA -0.770 61.518 62.300 -0.019 0.000 0.873 337 V CB 1.550 33.342 31.823 -0.051 0.000 0.992 337 V HN 0.809 nan 8.190 nan 0.000 0.428 338 V N 6.003 125.930 119.914 0.021 0.000 2.529 338 V HA 0.171 4.291 4.120 -0.000 0.000 0.292 338 V C 1.216 177.305 176.094 -0.009 0.000 1.028 338 V CA 0.392 62.722 62.300 0.050 0.000 1.074 338 V CB 0.506 32.393 31.823 0.106 0.000 0.958 338 V HN 0.855 nan 8.190 nan 0.000 0.481 339 R N 2.432 122.921 120.500 -0.019 0.000 2.250 339 R HA 0.296 4.636 4.340 -0.000 0.000 0.194 339 R C 0.544 176.806 176.300 -0.064 0.000 0.927 339 R CA 0.189 56.260 56.100 -0.048 0.000 1.052 339 R CB 0.794 31.070 30.300 -0.040 0.000 1.055 339 R HN 0.837 nan 8.270 nan 0.000 0.537 340 E N 0.022 120.175 120.200 -0.078 0.000 2.388 340 E HA 0.229 4.579 4.350 -0.000 0.000 0.280 340 E C -1.777 174.689 176.600 -0.223 0.000 1.019 340 E CA -0.562 55.764 56.400 -0.124 0.000 0.806 340 E CB 2.392 32.038 29.700 -0.090 0.000 1.246 340 E HN -0.172 nan 8.360 nan 0.000 0.443 341 V N 3.439 123.181 119.914 -0.288 0.000 2.385 341 V HA 0.150 4.270 4.120 -0.000 0.000 0.277 341 V C -0.448 175.487 176.094 -0.266 0.000 1.012 341 V CA -0.861 61.166 62.300 -0.456 0.000 0.832 341 V CB 1.255 32.702 31.823 -0.627 0.000 1.028 341 V HN 0.692 nan 8.190 nan 0.000 0.436 342 D N 3.806 124.101 120.400 -0.176 0.000 2.455 342 D HA 0.063 4.703 4.640 -0.000 0.000 0.265 342 D C 1.259 177.484 176.300 -0.126 0.000 1.284 342 D CA 0.702 54.646 54.000 -0.093 0.000 0.944 342 D CB 1.724 42.526 40.800 0.004 0.000 1.121 342 D HN 0.642 nan 8.370 nan 0.000 0.525 343 A N 4.447 127.126 122.820 -0.235 0.000 2.019 343 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 343 A C 1.507 178.966 177.584 -0.208 0.000 1.164 343 A CA 1.067 52.944 52.037 -0.267 0.000 0.644 343 A CB -0.481 18.297 19.000 -0.370 0.000 0.805 343 A HN 0.697 nan 8.150 nan 0.000 0.449 344 Y N 0.188 120.484 120.300 -0.008 0.000 2.163 344 Y HA -0.109 4.440 4.550 -0.000 0.000 0.288 344 Y C 2.353 178.219 175.900 -0.058 0.000 1.136 344 Y CA 1.615 59.698 58.100 -0.029 0.000 1.147 344 Y CB -0.325 38.056 38.460 -0.131 0.000 0.987 344 Y HN 0.214 nan 8.280 nan 0.000 0.509 345 K N -0.389 120.068 120.400 0.095 0.000 2.148 345 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 345 K C 1.996 178.610 176.600 0.024 0.000 1.050 345 K CA 1.257 57.565 56.287 0.034 0.000 0.942 345 K CB -0.352 32.196 32.500 0.081 0.000 0.724 345 K HN 0.126 nan 8.250 nan 0.000 0.446 346 V N 0.853 120.781 119.914 0.022 0.000 2.427 346 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 346 V C 2.345 178.463 176.094 0.039 0.000 1.051 346 V CA 2.157 64.478 62.300 0.034 0.000 1.048 346 V CB -0.799 31.021 31.823 -0.005 0.000 0.666 346 V HN 0.476 nan 8.190 nan 0.000 0.456 347 G N -0.270 108.558 108.800 0.047 0.000 2.422 347 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.218 347 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.218 347 G C 1.565 176.498 174.900 0.055 0.000 1.146 347 G CA 0.722 45.871 45.100 0.082 0.000 0.769 347 G HN 0.474 nan 8.290 nan 0.000 0.547 348 L N 0.502 121.704 121.223 -0.036 0.000 2.141 348 L HA 0.001 4.341 4.340 -0.000 0.000 0.209 348 L C 3.349 180.114 176.870 -0.176 0.000 1.094 348 L CA 0.773 55.479 54.840 -0.225 0.000 0.763 348 L CB -0.325 41.348 42.059 -0.644 0.000 0.908 348 L HN 0.311 nan 8.230 nan 0.000 0.437 349 A N -0.180 122.618 122.820 -0.037 0.000 1.873 349 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 349 A C 2.312 179.964 177.584 0.114 0.000 1.186 349 A CA 1.607 53.725 52.037 0.135 0.000 0.616 349 A CB -0.767 18.330 19.000 0.162 0.000 0.823 349 A HN 0.165 nan 8.150 nan 0.000 0.442 350 V N -0.157 119.809 119.914 0.086 0.000 2.407 350 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 350 V C 2.498 178.635 176.094 0.073 0.000 1.055 350 V CA 1.881 64.234 62.300 0.087 0.000 1.049 350 V CB -0.782 31.085 31.823 0.074 0.000 0.662 350 V HN 0.593 nan 8.190 nan 0.000 0.455 351 L N 1.058 122.316 121.223 0.058 0.000 2.046 351 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 351 L C 2.451 179.360 176.870 0.066 0.000 1.077 351 L CA 2.371 57.243 54.840 0.052 0.000 0.747 351 L CB -0.915 41.170 42.059 0.044 0.000 0.896 351 L HN 0.212 nan 8.230 nan 0.000 0.432 352 A N -0.579 122.295 122.820 0.090 0.000 1.933 352 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 352 A C 2.191 179.830 177.584 0.092 0.000 1.175 352 A CA 1.892 53.996 52.037 0.112 0.000 0.628 352 A CB -0.904 18.205 19.000 0.181 0.000 0.814 352 A HN 0.521 nan 8.150 nan 0.000 0.444 353 L N -1.605 119.676 121.223 0.098 0.000 2.478 353 L HA 0.124 4.464 4.340 -0.000 0.000 0.223 353 L C 1.733 178.650 176.870 0.079 0.000 1.140 353 L CA 0.647 55.548 54.840 0.101 0.000 0.842 353 L CB -0.285 41.851 42.059 0.128 0.000 0.953 353 L HN 0.607 nan 8.230 nan 0.000 0.452 354 G N -0.669 108.167 108.800 0.061 0.000 2.159 354 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.227 354 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.227 354 G C 0.791 175.703 174.900 0.020 0.000 0.986 354 G CA -0.036 45.086 45.100 0.037 0.000 0.651 354 G HN 0.421 nan 8.290 nan 0.000 0.523 355 G N -0.192 108.630 108.800 0.036 0.000 2.985 355 G HA2 0.548 4.508 3.960 -0.000 0.000 0.209 355 G HA3 0.548 4.508 3.960 -0.000 0.000 0.209 355 G C 0.758 175.668 174.900 0.017 0.000 1.165 355 G CA 1.027 46.143 45.100 0.026 0.000 0.776 355 G HN 1.360 nan 8.290 nan 0.000 0.541 356 G N -0.383 108.428 108.800 0.019 0.000 2.658 356 G HA2 0.615 4.574 3.960 -0.000 0.000 0.292 356 G HA3 0.615 4.574 3.960 -0.000 0.000 0.292 356 G C -0.863 174.045 174.900 0.014 0.000 1.320 356 G CA -1.237 43.872 45.100 0.016 0.000 0.933 356 G HN 0.439 nan 8.290 nan 0.000 0.476 357 R N 0.110 120.619 120.500 0.014 0.000 2.589 357 R HA 0.528 4.868 4.340 -0.000 0.000 0.293 357 R C 0.139 176.456 176.300 0.028 0.000 0.963 357 R CA -0.980 55.131 56.100 0.018 0.000 0.905 357 R CB 2.101 32.410 30.300 0.016 0.000 1.144 357 R HN 0.245 nan 8.270 nan 0.000 0.459 358 K N 1.759 122.178 120.400 0.032 0.000 2.103 358 K HA 0.037 4.357 4.320 -0.000 0.000 0.204 358 K C 0.288 176.912 176.600 0.040 0.000 1.052 358 K CA 1.183 57.494 56.287 0.039 0.000 0.945 358 K CB 0.073 32.596 32.500 0.037 0.000 0.722 358 K HN 0.599 nan 8.250 nan 0.000 0.443 359 R N 0.737 121.258 120.500 0.035 0.000 2.795 359 R HA 0.260 4.600 4.340 -0.000 0.000 0.275 359 R C -0.542 175.780 176.300 0.036 0.000 0.981 359 R CA -0.824 55.298 56.100 0.037 0.000 0.917 359 R CB 2.015 32.335 30.300 0.034 0.000 1.202 359 R HN -0.110 nan 8.270 nan 0.000 0.469 360 K N 0.664 121.089 120.400 0.042 0.000 2.511 360 K HA -0.022 4.298 4.320 -0.000 0.000 0.280 360 K C 0.715 177.337 176.600 0.037 0.000 1.008 360 K CA 1.682 57.994 56.287 0.042 0.000 1.050 360 K CB 0.147 32.678 32.500 0.051 0.000 0.889 360 K HN 0.801 nan 8.250 nan 0.000 0.484 361 G N 2.787 111.608 108.800 0.035 0.000 2.241 361 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 361 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 361 G C -0.282 174.634 174.900 0.027 0.000 0.998 361 G CA 0.239 45.358 45.100 0.033 0.000 0.621 361 G HN 0.696 nan 8.290 nan 0.000 0.519 362 E N 2.468 122.682 120.200 0.024 0.000 2.383 362 E HA 0.382 4.732 4.350 -0.000 0.000 0.264 362 E C -1.914 174.691 176.600 0.009 0.000 1.050 362 E CA -1.179 55.231 56.400 0.017 0.000 0.896 362 E CB 0.967 30.677 29.700 0.016 0.000 0.982 362 E HN 0.325 nan 8.360 nan 0.000 0.424 363 P HA 0.136 nan 4.420 nan 0.000 0.274 363 P C -0.460 176.810 177.300 -0.049 0.000 1.237 363 P CA -0.020 63.067 63.100 -0.021 0.000 0.793 363 P CB 0.708 32.398 31.700 -0.016 0.000 0.977 364 I N -2.522 117.979 120.570 -0.114 0.000 3.108 364 I HA 0.582 4.752 4.170 -0.000 0.000 0.312 364 I C -0.618 175.351 176.117 -0.246 0.000 1.095 364 I CA -1.132 60.082 61.300 -0.143 0.000 1.000 364 I CB 2.194 40.114 38.000 -0.133 0.000 1.229 364 I HN 0.054 nan 8.210 nan 0.000 0.454 365 D N 1.303 121.601 120.400 -0.170 0.000 2.373 365 D HA 0.238 4.878 4.640 -0.000 0.000 0.227 365 D C 0.609 176.833 176.300 -0.127 0.000 1.091 365 D CA -0.158 53.761 54.000 -0.135 0.000 0.840 365 D CB 0.683 41.464 40.800 -0.032 0.000 1.060 365 D HN 0.551 nan 8.370 nan 0.000 0.502 366 H N 2.271 121.349 119.070 0.014 0.000 2.524 366 H HA 0.041 4.597 4.556 -0.000 0.000 0.282 366 H C 1.643 176.961 175.328 -0.017 0.000 1.016 366 H CA 0.937 56.983 56.048 -0.002 0.000 1.270 366 H CB 0.414 30.171 29.762 -0.009 0.000 1.394 366 H HN 0.540 nan 8.280 nan 0.000 0.568 367 G N 1.029 109.883 108.800 0.090 0.000 2.939 367 G HA2 0.119 4.079 3.960 -0.000 0.000 0.210 367 G HA3 0.119 4.079 3.960 -0.000 0.000 0.210 367 G C 0.806 175.734 174.900 0.046 0.000 1.160 367 G CA 0.428 45.550 45.100 0.037 0.000 0.770 367 G HN 0.222 nan 8.290 nan 0.000 0.543 368 V N -2.335 117.625 119.914 0.078 0.000 2.997 368 V HA 0.993 5.113 4.120 -0.000 0.000 0.311 368 V C 0.459 176.644 176.094 0.152 0.000 1.066 368 V CA -0.073 62.309 62.300 0.136 0.000 1.039 368 V CB 1.112 33.008 31.823 0.122 0.000 1.081 368 V HN 0.718 nan 8.190 nan 0.000 0.467 369 G N 0.651 109.591 108.800 0.232 0.000 2.333 369 G HA2 0.479 4.439 3.960 -0.000 0.000 0.288 369 G HA3 0.479 4.439 3.960 -0.000 0.000 0.288 369 G C -1.659 173.428 174.900 0.311 0.000 1.286 369 G CA -0.009 45.224 45.100 0.223 0.000 0.865 369 G HN 1.335 nan 8.290 nan 0.000 0.506 370 V N -0.066 120.012 119.914 0.273 0.000 2.789 370 V HA 0.679 4.799 4.120 -0.000 0.000 0.311 370 V C -1.529 174.760 176.094 0.325 0.000 1.073 370 V CA -0.696 61.770 62.300 0.276 0.000 0.921 370 V CB 2.017 33.946 31.823 0.176 0.000 1.009 370 V HN 0.882 nan 8.190 nan 0.000 0.426 371 Y N 4.354 124.781 120.300 0.211 0.000 2.363 371 Y HA 0.609 5.159 4.550 -0.000 0.000 0.325 371 Y C -0.432 175.547 175.900 0.132 0.000 0.984 371 Y CA -0.754 57.453 58.100 0.178 0.000 1.248 371 Y CB 1.327 39.942 38.460 0.258 0.000 1.116 371 Y HN 0.548 nan 8.280 nan 0.000 0.470 372 L N 7.659 128.754 121.223 -0.213 0.000 2.369 372 L HA 0.157 4.497 4.340 -0.000 0.000 0.279 372 L C 0.768 177.550 176.870 -0.146 0.000 1.108 372 L CA 0.152 54.944 54.840 -0.080 0.000 0.852 372 L CB 0.736 42.760 42.059 -0.058 0.000 1.169 372 L HN 0.792 nan 8.230 nan 0.000 0.452 373 L N 2.372 123.605 121.223 0.016 0.000 2.354 373 L HA 0.126 4.466 4.340 -0.000 0.000 0.212 373 L C 0.650 177.541 176.870 0.035 0.000 1.091 373 L CA 0.664 55.526 54.840 0.036 0.000 0.828 373 L CB -0.153 41.950 42.059 0.074 0.000 0.973 373 L HN 0.519 nan 8.230 nan 0.000 0.461 374 K N 1.252 121.703 120.400 0.084 0.000 2.323 374 K HA 0.473 4.793 4.320 -0.000 0.000 0.259 374 K C -0.712 175.987 176.600 0.166 0.000 0.947 374 K CA -0.471 55.884 56.287 0.114 0.000 0.819 374 K CB 2.418 34.981 32.500 0.105 0.000 1.109 374 K HN -0.196 nan 8.250 nan 0.000 0.429 375 K N 1.521 121.960 120.400 0.065 0.000 2.352 375 K HA 0.519 4.839 4.320 -0.000 0.000 0.240 375 K C -2.649 173.948 176.600 -0.004 0.000 1.017 375 K CA -2.504 53.785 56.287 0.004 0.000 0.851 375 K CB 0.939 33.419 32.500 -0.034 0.000 1.261 375 K HN 0.166 nan 8.250 nan 0.000 0.451 376 P HA -0.039 nan 4.420 nan 0.000 0.260 376 P C 0.580 177.858 177.300 -0.036 0.000 1.172 376 P CA 1.376 64.449 63.100 -0.046 0.000 0.760 376 P CB 0.165 31.826 31.700 -0.066 0.000 0.773 377 G N 2.283 111.059 108.800 -0.040 0.000 2.232 377 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.226 377 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.226 377 G C -0.097 174.786 174.900 -0.028 0.000 0.996 377 G CA -0.400 44.674 45.100 -0.044 0.000 0.626 377 G HN 0.492 nan 8.290 nan 0.000 0.509 378 D N 0.746 121.140 120.400 -0.010 0.000 2.345 378 D HA 0.484 5.124 4.640 -0.000 0.000 0.247 378 D C 0.760 177.059 176.300 -0.002 0.000 1.108 378 D CA -0.160 53.840 54.000 -0.000 0.000 0.894 378 D CB 1.203 42.012 40.800 0.015 0.000 1.203 378 D HN 0.436 nan 8.370 nan 0.000 0.430 379 R N 0.988 121.484 120.500 -0.007 0.000 2.441 379 R HA 0.421 4.760 4.340 -0.000 0.000 0.284 379 R C -1.138 175.157 176.300 -0.009 0.000 1.070 379 R CA -0.362 55.732 56.100 -0.010 0.000 1.047 379 R CB 0.618 30.911 30.300 -0.012 0.000 1.016 379 R HN 0.158 nan 8.270 nan 0.000 0.477 380 V N 4.122 124.028 119.914 -0.013 0.000 2.531 380 V HA 0.309 4.428 4.120 -0.000 0.000 0.301 380 V C -0.600 175.478 176.094 -0.026 0.000 1.034 380 V CA -0.757 61.529 62.300 -0.024 0.000 0.865 380 V CB 1.780 33.584 31.823 -0.032 0.000 0.995 380 V HN 0.845 nan 8.190 nan 0.000 0.424 381 E N 2.441 122.623 120.200 -0.029 0.000 2.214 381 E HA 0.530 4.880 4.350 -0.000 0.000 0.274 381 E C -0.310 176.269 176.600 -0.034 0.000 0.977 381 E CA -1.100 55.284 56.400 -0.027 0.000 0.827 381 E CB 1.869 31.556 29.700 -0.022 0.000 1.130 381 E HN 0.533 nan 8.360 nan 0.000 0.394 382 R N 0.686 121.167 120.500 -0.030 0.000 2.566 382 R HA 0.010 4.350 4.340 -0.000 0.000 0.273 382 R C 0.935 177.213 176.300 -0.037 0.000 0.981 382 R CA 1.790 57.870 56.100 -0.034 0.000 1.091 382 R CB -0.264 30.021 30.300 -0.025 0.000 0.924 382 R HN 0.797 nan 8.270 nan 0.000 0.411 383 G N 2.346 111.119 108.800 -0.046 0.000 2.234 383 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 383 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 383 G C 0.056 174.923 174.900 -0.056 0.000 0.987 383 G CA 0.390 45.461 45.100 -0.048 0.000 0.625 383 G HN 0.717 nan 8.290 nan 0.000 0.532 384 E N 0.943 121.108 120.200 -0.058 0.000 2.366 384 E HA 0.594 4.944 4.350 -0.000 0.000 0.266 384 E C 0.810 177.360 176.600 -0.083 0.000 1.051 384 E CA -0.050 56.315 56.400 -0.059 0.000 0.884 384 E CB 0.636 30.306 29.700 -0.050 0.000 1.006 384 E HN 0.800 nan 8.360 nan 0.000 0.417 385 A N 5.137 127.912 122.820 -0.075 0.000 2.444 385 A HA 0.134 4.453 4.320 -0.000 0.000 0.273 385 A C 0.733 178.252 177.584 -0.109 0.000 1.136 385 A CA -0.108 51.874 52.037 -0.092 0.000 0.799 385 A CB 0.063 19.024 19.000 -0.064 0.000 1.081 385 A HN 0.838 nan 8.150 nan 0.000 0.509 386 L N 1.681 122.791 121.223 -0.189 0.000 2.162 386 L HA 0.265 4.605 4.340 -0.000 0.000 0.205 386 L C 1.200 177.972 176.870 -0.163 0.000 1.086 386 L CA 1.257 55.910 54.840 -0.312 0.000 0.778 386 L CB -0.224 41.416 42.059 -0.698 0.000 0.928 386 L HN 0.830 nan 8.230 nan 0.000 0.446 387 A N -0.784 121.982 122.820 -0.091 0.000 2.601 387 A HA 0.643 4.963 4.320 -0.000 0.000 0.291 387 A C -1.616 175.982 177.584 0.023 0.000 1.075 387 A CA -0.579 51.478 52.037 0.033 0.000 0.671 387 A CB 0.965 20.027 19.000 0.103 0.000 1.277 387 A HN -0.042 nan 8.150 nan 0.000 0.417 388 L N 0.839 122.116 121.223 0.089 0.000 2.317 388 L HA 0.674 5.014 4.340 -0.000 0.000 0.281 388 L C -0.847 175.968 176.870 -0.091 0.000 1.024 388 L CA -1.063 53.752 54.840 -0.042 0.000 0.810 388 L CB 1.806 43.855 42.059 -0.017 0.000 1.240 388 L HN 0.455 nan 8.230 nan 0.000 0.427 389 V N 2.688 122.486 119.914 -0.193 0.000 2.448 389 V HA 0.348 4.468 4.120 -0.000 0.000 0.295 389 V C -1.013 174.940 176.094 -0.236 0.000 1.025 389 V CA -0.616 61.646 62.300 -0.064 0.000 0.859 389 V CB 1.475 33.369 31.823 0.119 0.000 0.988 389 V HN 0.395 nan 8.190 nan 0.000 0.431 390 Y N 4.829 125.231 120.300 0.170 0.000 2.342 390 Y HA 0.630 5.180 4.550 -0.000 0.000 0.338 390 Y C 0.416 176.379 175.900 0.105 0.000 0.965 390 Y CA -0.507 57.648 58.100 0.092 0.000 1.159 390 Y CB 0.861 39.350 38.460 0.048 0.000 1.157 390 Y HN 0.905 nan 8.280 nan 0.000 0.486 391 H N -0.586 118.564 119.070 0.134 0.000 2.894 391 H HA 0.677 5.233 4.556 -0.000 0.000 0.368 391 H C -0.773 174.598 175.328 0.072 0.000 1.181 391 H CA -1.537 54.563 56.048 0.086 0.000 1.146 391 H CB 1.633 31.415 29.762 0.033 0.000 1.839 391 H HN 0.480 nan 8.280 nan 0.000 0.557 392 R N 0.774 121.340 120.500 0.110 0.000 2.997 392 R HA 0.273 4.613 4.340 -0.000 0.000 0.358 392 R C -0.447 175.946 176.300 0.155 0.000 1.191 392 R CA -0.420 55.715 56.100 0.059 0.000 1.113 392 R CB -0.100 30.227 30.300 0.045 0.000 1.433 392 R HN 0.789 nan 8.270 nan 0.000 0.584 393 R N 0.496 121.229 120.500 0.388 0.000 3.516 393 R HA -0.211 4.129 4.340 -0.000 0.000 0.271 393 R C -0.398 175.965 176.300 0.104 0.000 1.098 393 R CA 0.845 57.093 56.100 0.247 0.000 0.732 393 R CB -1.104 29.282 30.300 0.144 0.000 1.152 393 R HN 0.264 nan 8.270 nan 0.000 0.455 394 R N -0.120 120.441 120.500 0.102 0.000 2.533 394 R HA 0.313 4.653 4.340 -0.000 0.000 0.288 394 R C 0.543 176.868 176.300 0.042 0.000 1.039 394 R CA 0.415 56.547 56.100 0.053 0.000 0.909 394 R CB 1.623 31.956 30.300 0.056 0.000 1.195 394 R HN 0.311 nan 8.270 nan 0.000 0.438 395 G N 3.255 112.065 108.800 0.016 0.000 2.180 395 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.263 395 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.263 395 G C 0.629 175.526 174.900 -0.006 0.000 0.989 395 G CA 0.639 45.750 45.100 0.018 0.000 0.692 395 G HN 0.550 nan 8.290 nan 0.000 0.526 396 L N 0.663 121.843 121.223 -0.071 0.000 2.042 396 L HA 0.079 4.419 4.340 -0.000 0.000 0.210 396 L C 2.473 179.264 176.870 -0.132 0.000 1.076 396 L CA 3.113 57.855 54.840 -0.163 0.000 0.749 396 L CB -0.483 41.318 42.059 -0.430 0.000 0.893 396 L HN 0.517 nan 8.230 nan 0.000 0.432 397 E N -0.712 119.415 120.200 -0.122 0.000 2.051 397 E HA -0.299 4.051 4.350 -0.000 0.000 0.192 397 E C 2.147 178.702 176.600 -0.075 0.000 0.991 397 E CA 1.502 57.844 56.400 -0.096 0.000 0.799 397 E CB -0.202 29.448 29.700 -0.083 0.000 0.748 397 E HN 0.673 nan 8.360 nan 0.000 0.449 398 E N -0.208 119.954 120.200 -0.062 0.000 2.077 398 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 398 E C 1.942 178.506 176.600 -0.060 0.000 0.989 398 E CA 0.949 57.295 56.400 -0.090 0.000 0.800 398 E CB -0.124 29.564 29.700 -0.019 0.000 0.746 398 E HN 0.331 nan 8.360 nan 0.000 0.452 399 A N 1.125 123.977 122.820 0.053 0.000 1.902 399 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 399 A C 2.211 179.857 177.584 0.104 0.000 1.181 399 A CA 1.152 53.272 52.037 0.139 0.000 0.623 399 A CB -0.685 18.383 19.000 0.113 0.000 0.818 399 A HN 0.298 nan 8.150 nan 0.000 0.443 400 L N -0.715 120.532 121.223 0.040 0.000 2.131 400 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 400 L C 2.781 179.667 176.870 0.027 0.000 1.092 400 L CA 0.932 55.800 54.840 0.046 0.000 0.759 400 L CB -0.742 41.334 42.059 0.028 0.000 0.903 400 L HN 0.508 nan 8.230 nan 0.000 0.435 401 G N -1.203 107.573 108.800 -0.040 0.000 2.404 401 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.215 401 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.215 401 G C 1.381 176.254 174.900 -0.045 0.000 1.174 401 G CA 0.387 45.436 45.100 -0.086 0.000 0.780 401 G HN 0.342 nan 8.290 nan 0.000 0.537 402 H N 0.268 119.367 119.070 0.049 0.000 2.353 402 H HA 0.076 4.632 4.556 -0.000 0.000 0.300 402 H C 2.720 178.095 175.328 0.079 0.000 1.090 402 H CA 0.830 56.913 56.048 0.058 0.000 1.327 402 H CB -0.310 29.488 29.762 0.060 0.000 1.383 402 H HN 0.233 nan 8.280 nan 0.000 0.508 403 L N 0.253 121.607 121.223 0.218 0.000 2.056 403 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 403 L C 2.795 179.807 176.870 0.236 0.000 1.078 403 L CA 1.004 55.972 54.840 0.215 0.000 0.749 403 L CB -0.212 41.961 42.059 0.190 0.000 0.901 403 L HN 0.176 nan 8.230 nan 0.000 0.433 404 R N -0.168 120.420 120.500 0.147 0.000 2.092 404 R HA -0.155 4.185 4.340 -0.000 0.000 0.231 404 R C 2.097 178.481 176.300 0.141 0.000 1.119 404 R CA 1.241 57.412 56.100 0.119 0.000 0.970 404 R CB -0.172 30.158 30.300 0.050 0.000 0.864 404 R HN 0.466 nan 8.270 nan 0.000 0.440 405 E N 0.396 120.668 120.200 0.119 0.000 2.106 405 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 405 E C 2.016 178.680 176.600 0.107 0.000 0.984 405 E CA 0.944 57.405 56.400 0.103 0.000 0.806 405 E CB -0.052 29.707 29.700 0.099 0.000 0.750 405 E HN 0.331 nan 8.360 nan 0.000 0.458 406 A N 0.992 123.886 122.820 0.124 0.000 1.908 406 A HA -0.155 4.164 4.320 -0.000 0.000 0.218 406 A C 0.650 178.218 177.584 -0.026 0.000 1.181 406 A CA 0.974 53.038 52.037 0.044 0.000 0.627 406 A CB -0.567 18.449 19.000 0.027 0.000 0.818 406 A HN 0.176 nan 8.150 nan 0.000 0.445 407 Y N -0.130 120.180 120.300 0.016 0.000 2.436 407 Y HA 0.402 4.952 4.550 -0.000 0.000 0.336 407 Y C 0.573 176.473 175.900 -0.000 0.000 1.049 407 Y CA 0.239 58.340 58.100 0.002 0.000 1.294 407 Y CB 0.598 39.058 38.460 -0.001 0.000 1.179 407 Y HN 0.292 nan 8.280 nan 0.000 0.520 408 A N 5.646 128.516 122.820 0.083 0.000 2.291 408 A HA 0.696 5.016 4.320 -0.000 0.000 0.311 408 A C -1.375 176.245 177.584 0.060 0.000 1.224 408 A CA -0.582 51.489 52.037 0.055 0.000 0.821 408 A CB 0.252 19.257 19.000 0.008 0.000 1.172 408 A HN 0.606 nan 8.150 nan 0.000 0.494 409 L N 1.748 123.008 121.223 0.061 0.000 2.334 409 L HA 0.925 5.265 4.340 -0.000 0.000 0.270 409 L C 0.850 177.728 176.870 0.014 0.000 1.018 409 L CA 0.246 55.111 54.840 0.041 0.000 0.811 409 L CB 1.953 44.037 42.059 0.042 0.000 1.271 409 L HN 0.878 nan 8.230 nan 0.000 0.443 410 G N -0.061 108.738 108.800 -0.002 0.000 2.749 410 G HA2 0.460 4.420 3.960 -0.000 0.000 0.300 410 G HA3 0.460 4.420 3.960 -0.000 0.000 0.300 410 G C -0.266 174.622 174.900 -0.019 0.000 1.352 410 G CA -0.270 44.824 45.100 -0.010 0.000 0.789 410 G HN 0.422 nan 8.290 nan 0.000 0.509 411 E N -0.296 119.893 120.200 -0.018 0.000 2.216 411 E HA 0.137 4.486 4.350 -0.000 0.000 0.192 411 E C 0.821 177.397 176.600 -0.040 0.000 0.988 411 E CA 1.200 57.588 56.400 -0.020 0.000 0.834 411 E CB 0.176 29.872 29.700 -0.007 0.000 0.772 411 E HN 0.659 nan 8.360 nan 0.000 0.479 412 E N -1.652 118.507 120.200 -0.069 0.000 2.430 412 E HA 0.742 5.092 4.350 -0.000 0.000 0.279 412 E C -1.315 175.136 176.600 -0.248 0.000 1.003 412 E CA -1.282 55.027 56.400 -0.152 0.000 0.801 412 E CB 1.664 31.283 29.700 -0.135 0.000 1.313 412 E HN -0.054 nan 8.360 nan 0.000 0.459 413 A N 1.179 123.741 122.820 -0.430 0.000 2.515 413 A HA 0.612 4.932 4.320 -0.000 0.000 0.298 413 A C -1.468 175.718 177.584 -0.663 0.000 1.059 413 A CA -0.773 51.023 52.037 -0.402 0.000 0.698 413 A CB 1.511 20.400 19.000 -0.185 0.000 1.289 413 A HN 0.677 nan 8.150 nan 0.000 0.404 414 H N 1.382 120.438 119.070 -0.023 0.000 2.538 414 H HA 0.275 4.831 4.556 -0.000 0.000 0.239 414 H C -2.660 172.648 175.328 -0.034 0.000 1.401 414 H CA -1.305 54.728 56.048 -0.024 0.000 1.499 414 H CB 0.115 29.865 29.762 -0.021 0.000 1.624 414 H HN 0.458 nan 8.280 nan 0.000 0.524 415 P HA 0.101 nan 4.420 nan 0.000 0.262 415 P C 0.117 177.419 177.300 0.003 0.000 1.182 415 P CA 0.016 63.113 63.100 -0.005 0.000 0.761 415 P CB 0.803 32.491 31.700 -0.021 0.000 0.795 416 A N 5.321 128.129 122.820 -0.021 0.000 2.332 416 A HA 0.479 4.799 4.320 -0.000 0.000 0.258 416 A C -2.004 175.571 177.584 -0.014 0.000 1.087 416 A CA -1.178 50.847 52.037 -0.020 0.000 0.802 416 A CB -0.970 18.000 19.000 -0.050 0.000 1.042 416 A HN 0.423 nan 8.150 nan 0.000 0.489 417 P HA 0.088 nan 4.420 nan 0.000 0.268 417 P C 0.595 177.892 177.300 -0.005 0.000 1.208 417 P CA -0.070 63.029 63.100 -0.001 0.000 0.777 417 P CB 0.337 32.041 31.700 0.008 0.000 0.875 418 L N 0.769 121.987 121.223 -0.009 0.000 2.201 418 L HA -0.024 4.316 4.340 -0.000 0.000 0.212 418 L C 0.556 177.425 176.870 -0.002 0.000 1.105 418 L CA 0.919 55.751 54.840 -0.013 0.000 0.775 418 L CB -0.134 41.913 42.059 -0.019 0.000 0.913 418 L HN 0.149 nan 8.230 nan 0.000 0.440 419 V N 0.433 120.351 119.914 0.006 0.000 2.378 419 V HA 0.154 4.274 4.120 -0.000 0.000 0.288 419 V C 0.912 177.022 176.094 0.027 0.000 1.016 419 V CA -0.375 61.935 62.300 0.016 0.000 0.840 419 V CB 1.922 33.752 31.823 0.011 0.000 0.994 419 V HN 0.139 nan 8.190 nan 0.000 0.431 420 L N 3.195 124.444 121.223 0.043 0.000 2.072 420 L HA 0.157 4.497 4.340 -0.000 0.000 0.205 420 L C 1.008 177.907 176.870 0.049 0.000 1.079 420 L CA 1.235 56.112 54.840 0.061 0.000 0.752 420 L CB 0.030 42.153 42.059 0.107 0.000 0.906 420 L HN 0.901 nan 8.230 nan 0.000 0.436 421 E N -1.410 118.813 120.200 0.039 0.000 2.432 421 E HA 0.640 4.990 4.350 -0.000 0.000 0.279 421 E C -1.599 175.014 176.600 0.022 0.000 1.099 421 E CA -0.922 55.494 56.400 0.028 0.000 0.859 421 E CB 1.575 31.290 29.700 0.025 0.000 1.402 421 E HN -0.104 nan 8.360 nan 0.000 0.451 422 A N 0.897 123.727 122.820 0.017 0.000 2.374 422 A HA 0.878 5.198 4.320 -0.000 0.000 0.317 422 A C -0.784 176.807 177.584 0.011 0.000 1.094 422 A CA -0.657 51.389 52.037 0.015 0.000 0.765 422 A CB 0.810 19.817 19.000 0.013 0.000 1.268 422 A HN 0.563 nan 8.150 nan 0.000 0.438 423 I N 0.000 120.577 120.570 0.011 0.000 2.984 423 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 423 I CA 0.000 61.304 61.300 0.007 0.000 1.566 423 I CB 0.000 38.002 38.000 0.004 0.000 1.214 423 I HN 0.000 nan 8.210 nan 0.000 0.494