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 1m57_1_G DATA FIRST_RESID 14 DATA SEQUENCE RGFFTRWFMS TNHKDIGVLY LFTGGLVGLI SVAFTVYMRM ELMAPGVQFM DATA SEQUENCE cAEHLESGLV KGFFQSLWPS AVENcTPNGH LWNVMITGHG ILMMFFVVIP DATA SEQUENCE ALFGGFGNYF MPLHIGAPDM AFPRMNNLSY WLYVAGTSLA VASLFAPGGN DATA SEQUENCE GQLGSGIGWV LYPPLSTSES GYSTDLAIFA VHLSGASSIL GAINMITTFL DATA SEQUENCE NMRAPGMTMH KVPLFAWSIF VTAWLILLAL PVLAGAITML LTDRNFGTTF DATA SEQUENCE FQPSGGGDPV LYQHILWFFG HPQVYIIVLP AFGIVSHVIA TFAKKPIFGY DATA SEQUENCE LPMVYAMVAI GVLGFVVWAH HMYTAGLSLT QQSYFMMATM VIAVPTGIKI DATA SEQUENCE FSWIATMWGG SIELKTPMLW ALGFLFLFTV GGVTGIVLSQ ASVDRYYHDT DATA SEQUENCE YYVVAHFHYV MSLGAVFGIF AGIYFWIGKM SGRQYPEWAG KLHFWMMFVG DATA SEQUENCE ANLTFFPQHF LGRQGMPRRY IDYPEAFATW NFVSSLGAFL SFASFLFFLG DATA SEQUENCE VIFYTLTRGA RVTANNYWNE HADTLEWTLT SPPPEHTFEQ LPKREDW 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 14 R HA 0.000 nan 4.340 nan 0.000 0.208 14 R C 0.000 176.326 176.300 0.044 0.000 0.893 14 R CA 0.000 56.094 56.100 -0.009 0.000 0.921 14 R CB 0.000 30.295 30.300 -0.008 0.000 0.687 15 G N 0.191 109.034 108.800 0.072 0.000 2.414 15 G HA2 0.052 4.012 3.960 0.000 0.000 0.236 15 G HA3 0.052 4.012 3.960 0.000 0.000 0.236 15 G C 0.837 175.871 174.900 0.224 0.000 1.293 15 G CA -0.324 44.879 45.100 0.172 0.000 0.869 15 G HN 0.365 nan 8.290 nan 0.000 0.556 16 F N 2.700 122.783 119.950 0.223 0.000 2.120 16 F HA -0.151 4.376 4.527 0.000 0.000 0.300 16 F C 2.078 178.185 175.800 0.511 0.000 1.095 16 F CA 1.837 60.059 58.000 0.370 0.000 1.249 16 F CB -0.151 39.078 39.000 0.383 0.000 0.995 16 F HN 0.484 nan 8.300 nan 0.000 0.480 17 F N 0.830 121.038 119.950 0.431 0.000 2.171 17 F HA -0.178 4.349 4.527 0.000 0.000 0.300 17 F C 2.394 178.346 175.800 0.254 0.000 1.090 17 F CA 2.115 60.335 58.000 0.368 0.000 1.293 17 F CB -1.106 37.972 39.000 0.131 0.000 1.013 17 F HN -0.080 nan 8.300 nan 0.000 0.486 18 T N 0.520 115.145 114.554 0.119 0.000 2.595 18 T HA -0.220 4.130 4.350 0.000 0.000 0.264 18 T C 2.193 176.771 174.700 -0.204 0.000 1.058 18 T CA 1.738 63.807 62.100 -0.052 0.000 1.166 18 T CB -0.291 68.569 68.868 -0.014 0.000 0.863 18 T HN 0.192 nan 8.240 nan 0.000 0.415 19 R N -0.743 119.564 120.500 -0.322 0.000 2.082 19 R HA -0.109 4.231 4.340 0.000 0.000 0.234 19 R C 2.351 178.186 176.300 -0.774 0.000 1.136 19 R CA 2.023 57.713 56.100 -0.683 0.000 0.935 19 R CB -0.279 29.410 30.300 -1.018 0.000 0.842 19 R HN 0.503 nan 8.270 nan 0.000 0.430 20 W N -1.211 119.919 121.300 -0.285 0.000 2.494 20 W HA 0.069 4.729 4.660 0.000 0.000 0.286 20 W C 1.802 178.164 176.519 -0.262 0.000 1.218 20 W CA -0.234 56.894 57.345 -0.362 0.000 1.313 20 W CB -0.268 28.832 29.460 -0.599 0.000 1.105 20 W HN 0.019 nan 8.180 nan 0.000 0.561 21 F N -0.703 119.243 119.950 -0.007 0.000 2.743 21 F HA 0.153 4.680 4.527 0.000 0.000 0.297 21 F C 1.799 177.426 175.800 -0.287 0.000 1.131 21 F CA 0.905 58.799 58.000 -0.176 0.000 1.426 21 F CB -0.181 38.345 39.000 -0.791 0.000 1.116 21 F HN -0.212 nan 8.300 nan 0.000 0.583 22 M N -1.032 118.491 119.600 -0.128 0.000 2.603 22 M HA 0.137 4.617 4.480 0.000 0.000 0.380 22 M C 0.545 176.815 176.300 -0.051 0.000 1.158 22 M CA -0.191 55.047 55.300 -0.104 0.000 0.921 22 M CB 0.661 33.166 32.600 -0.158 0.000 1.417 22 M HN -0.181 nan 8.290 nan 0.000 0.523 23 S N 0.992 116.673 115.700 -0.032 0.000 2.702 23 S HA -0.050 4.420 4.470 0.000 0.000 0.314 23 S C 1.292 175.877 174.600 -0.024 0.000 1.244 23 S CA 1.126 59.284 58.200 -0.071 0.000 1.058 23 S CB 0.320 63.483 63.200 -0.061 0.000 0.783 23 S HN 0.625 nan 8.310 nan 0.000 0.503 24 T N 1.646 116.153 114.554 -0.078 0.000 2.958 24 T HA 0.186 4.536 4.350 0.000 0.000 0.256 24 T C 0.408 175.054 174.700 -0.091 0.000 0.983 24 T CA -0.327 61.748 62.100 -0.042 0.000 0.924 24 T CB -0.238 68.616 68.868 -0.023 0.000 1.136 24 T HN 0.644 nan 8.240 nan 0.000 0.506 25 N N 1.997 120.581 118.700 -0.194 0.000 2.444 25 N HA 0.005 4.745 4.740 0.000 0.000 0.271 25 N C 1.196 176.510 175.510 -0.326 0.000 1.069 25 N CA -0.199 52.666 53.050 -0.309 0.000 0.965 25 N CB 0.747 38.967 38.487 -0.446 0.000 1.092 25 N HN 0.568 nan 8.380 nan 0.000 0.476 26 H N 3.431 122.380 119.070 -0.201 0.000 2.545 26 H HA 0.010 4.566 4.556 0.000 0.000 0.282 26 H C 0.159 175.297 175.328 -0.316 0.000 1.020 26 H CA 0.732 56.664 56.048 -0.194 0.000 1.243 26 H CB 0.317 29.987 29.762 -0.154 0.000 1.377 26 H HN 0.568 nan 8.280 nan 0.000 0.581 27 K N 0.089 119.838 120.400 -1.084 0.000 2.400 27 K HA -0.007 4.313 4.320 0.000 0.000 0.194 27 K C 0.921 177.171 176.600 -0.583 0.000 1.033 27 K CA 0.541 56.137 56.287 -1.152 0.000 1.021 27 K CB 0.532 32.064 32.500 -1.612 0.000 0.808 27 K HN 0.211 nan 8.250 nan 0.000 0.505 28 D N 0.817 120.999 120.400 -0.363 0.000 2.262 28 D HA 0.063 4.703 4.640 0.000 0.000 0.212 28 D C 1.770 178.064 176.300 -0.010 0.000 0.964 28 D CA 0.508 54.441 54.000 -0.111 0.000 0.875 28 D CB 0.200 40.837 40.800 -0.272 0.000 0.996 28 D HN 0.042 nan 8.370 nan 0.000 0.497 29 I N 1.286 121.805 120.570 -0.086 0.000 2.163 29 I HA -0.198 3.972 4.170 0.000 0.000 0.243 29 I C 2.461 178.611 176.117 0.055 0.000 1.085 29 I CA 1.398 62.665 61.300 -0.055 0.000 1.347 29 I CB -0.344 37.682 38.000 0.044 0.000 1.044 29 I HN 0.023 nan 8.210 nan 0.000 0.408 30 G N 0.552 109.391 108.800 0.065 0.000 2.553 30 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 30 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 30 G C 1.630 176.593 174.900 0.104 0.000 1.195 30 G CA 1.516 46.692 45.100 0.126 0.000 0.779 30 G HN 0.303 nan 8.290 nan 0.000 0.577 31 V N 1.275 121.263 119.914 0.124 0.000 2.332 31 V HA -0.176 3.944 4.120 0.000 0.000 0.248 31 V C 2.928 178.992 176.094 -0.049 0.000 1.055 31 V CA 1.672 63.989 62.300 0.029 0.000 1.038 31 V CB -0.729 31.173 31.823 0.132 0.000 0.651 31 V HN 0.362 nan 8.190 nan 0.000 0.450 32 L N -1.346 119.805 121.223 -0.121 0.000 1.990 32 L HA -0.241 4.099 4.340 0.000 0.000 0.213 32 L C 2.626 179.391 176.870 -0.175 0.000 1.072 32 L CA 2.202 56.801 54.840 -0.402 0.000 0.755 32 L CB -0.921 40.498 42.059 -1.067 0.000 0.889 32 L HN 0.258 nan 8.230 nan 0.000 0.432 33 Y N 0.060 120.274 120.300 -0.143 0.000 2.193 33 Y HA -0.292 4.258 4.550 0.000 0.000 0.285 33 Y C 2.507 178.406 175.900 -0.002 0.000 1.166 33 Y CA 1.263 59.403 58.100 0.067 0.000 1.181 33 Y CB -0.409 38.026 38.460 -0.042 0.000 0.976 33 Y HN 0.081 nan 8.280 nan 0.000 0.520 34 L N -1.650 119.580 121.223 0.011 0.000 1.944 34 L HA -0.297 4.043 4.340 0.000 0.000 0.218 34 L C 2.248 179.099 176.870 -0.032 0.000 1.075 34 L CA 1.606 56.346 54.840 -0.167 0.000 0.767 34 L CB -0.776 41.035 42.059 -0.415 0.000 0.890 34 L HN 0.148 nan 8.230 nan 0.000 0.434 35 F N 0.238 120.204 119.950 0.027 0.000 2.065 35 F HA -0.276 4.251 4.527 0.000 0.000 0.298 35 F C 2.749 178.601 175.800 0.086 0.000 1.112 35 F CA 1.895 59.917 58.000 0.037 0.000 1.212 35 F CB -1.458 37.527 39.000 -0.026 0.000 0.975 35 F HN 0.121 nan 8.300 nan 0.000 0.476 36 T N -0.508 114.238 114.554 0.320 0.000 2.635 36 T HA -0.200 4.150 4.350 0.000 0.000 0.267 36 T C 2.353 177.235 174.700 0.304 0.000 1.040 36 T CA 1.652 63.925 62.100 0.289 0.000 1.156 36 T CB -1.274 67.837 68.868 0.404 0.000 0.863 36 T HN 0.427 nan 8.240 nan 0.000 0.430 37 G N 1.008 109.993 108.800 0.308 0.000 2.469 37 G HA2 -0.131 3.829 3.960 0.000 0.000 0.220 37 G HA3 -0.131 3.829 3.960 0.000 0.000 0.220 37 G C 1.673 176.690 174.900 0.195 0.000 1.136 37 G CA 1.174 46.419 45.100 0.241 0.000 0.759 37 G HN 0.600 nan 8.290 nan 0.000 0.562 38 G N 0.733 109.664 108.800 0.217 0.000 2.434 38 G HA2 -0.105 3.855 3.960 0.000 0.000 0.214 38 G HA3 -0.105 3.855 3.960 0.000 0.000 0.214 38 G C 1.679 176.749 174.900 0.283 0.000 1.202 38 G CA 0.971 46.251 45.100 0.300 0.000 0.788 38 G HN 0.389 nan 8.290 nan 0.000 0.539 39 L N 0.594 121.962 121.223 0.242 0.000 1.980 39 L HA -0.239 4.101 4.340 0.000 0.000 0.232 39 L C 3.032 179.973 176.870 0.119 0.000 1.092 39 L CA 2.225 57.168 54.840 0.173 0.000 0.808 39 L CB -0.877 41.258 42.059 0.126 0.000 0.908 39 L HN 0.132 nan 8.230 nan 0.000 0.442 40 V N 0.011 119.979 119.914 0.091 0.000 2.215 40 V HA -0.377 3.743 4.120 0.000 0.000 0.249 40 V C 2.550 178.641 176.094 -0.005 0.000 1.054 40 V CA 2.311 64.628 62.300 0.028 0.000 1.012 40 V CB -1.865 30.008 31.823 0.084 0.000 0.639 40 V HN 0.762 nan 8.190 nan 0.000 0.448 41 G N 0.036 108.855 108.800 0.033 0.000 2.732 41 G HA2 -0.395 3.565 3.960 0.000 0.000 0.222 41 G HA3 -0.395 3.565 3.960 0.000 0.000 0.222 41 G C 1.517 176.349 174.900 -0.113 0.000 1.203 41 G CA 1.844 46.916 45.100 -0.048 0.000 0.780 41 G HN 0.448 nan 8.290 nan 0.000 0.621 42 L N 1.166 122.387 121.223 -0.003 0.000 1.976 42 L HA -0.182 4.158 4.340 0.000 0.000 0.223 42 L C 2.833 179.699 176.870 -0.006 0.000 1.081 42 L CA 2.087 56.958 54.840 0.053 0.000 0.784 42 L CB -0.818 41.410 42.059 0.282 0.000 0.896 42 L HN 0.419 nan 8.230 nan 0.000 0.438 43 I N -0.923 119.623 120.570 -0.040 0.000 2.074 43 I HA -0.435 3.735 4.170 0.000 0.000 0.238 43 I C 2.728 178.479 176.117 -0.610 0.000 1.037 43 I CA 1.958 63.146 61.300 -0.188 0.000 1.301 43 I CB -0.979 36.906 38.000 -0.192 0.000 1.016 43 I HN 0.533 nan 8.210 nan 0.000 0.400 44 S N 0.623 115.957 115.700 -0.610 0.000 2.359 44 S HA -0.206 4.264 4.470 0.000 0.000 0.222 44 S C 2.149 176.521 174.600 -0.380 0.000 1.038 44 S CA 2.117 59.909 58.200 -0.681 0.000 1.051 44 S CB -0.596 62.459 63.200 -0.243 0.000 0.944 44 S HN 0.238 nan 8.310 nan 0.000 0.433 45 V N 2.868 122.661 119.914 -0.203 0.000 2.252 45 V HA -0.349 3.772 4.120 0.000 0.000 0.255 45 V C 2.909 178.912 176.094 -0.152 0.000 1.071 45 V CA 2.330 64.544 62.300 -0.143 0.000 1.050 45 V CB -1.769 29.957 31.823 -0.161 0.000 0.654 45 V HN 0.710 nan 8.190 nan 0.000 0.448 46 A N -0.101 122.672 122.820 -0.077 0.000 1.884 46 A HA -0.269 4.051 4.320 0.000 0.000 0.219 46 A C 2.025 179.622 177.584 0.022 0.000 1.197 46 A CA 2.480 54.486 52.037 -0.051 0.000 0.637 46 A CB -0.840 18.270 19.000 0.184 0.000 0.827 46 A HN 0.481 nan 8.150 nan 0.000 0.450 47 F N 1.007 120.858 119.950 -0.165 0.000 2.147 47 F HA -0.216 4.312 4.527 0.000 0.000 0.301 47 F C 2.979 178.620 175.800 -0.267 0.000 1.084 47 F CA 1.499 59.384 58.000 -0.191 0.000 1.268 47 F CB -1.853 37.030 39.000 -0.195 0.000 1.009 47 F HN 0.473 nan 8.300 nan 0.000 0.486 48 T N -2.042 112.390 114.554 -0.203 0.000 2.788 48 T HA -0.148 4.202 4.350 0.000 0.000 0.268 48 T C 2.167 176.676 174.700 -0.319 0.000 1.044 48 T CA 1.444 63.336 62.100 -0.346 0.000 1.139 48 T CB -1.040 67.580 68.868 -0.413 0.000 0.867 48 T HN 0.141 nan 8.240 nan 0.000 0.454 49 V N -0.202 119.460 119.914 -0.421 0.000 2.358 49 V HA -0.022 4.099 4.120 0.000 0.000 0.246 49 V C 2.203 178.067 176.094 -0.384 0.000 1.047 49 V CA 1.708 63.646 62.300 -0.602 0.000 1.035 49 V CB -0.863 30.432 31.823 -0.880 0.000 0.658 49 V HN 0.629 nan 8.190 nan 0.000 0.452 50 Y N 0.544 120.655 120.300 -0.315 0.000 2.014 50 Y HA -0.396 4.154 4.550 0.000 0.000 0.272 50 Y C 2.401 178.212 175.900 -0.148 0.000 1.164 50 Y CA 3.045 61.007 58.100 -0.229 0.000 1.114 50 Y CB -0.426 37.932 38.460 -0.171 0.000 0.961 50 Y HN 0.284 nan 8.280 nan 0.000 0.489 51 M N -0.453 119.246 119.600 0.165 0.000 2.399 51 M HA -0.336 4.145 4.480 0.000 0.000 0.263 51 M C 2.183 178.589 176.300 0.177 0.000 1.067 51 M CA 2.056 57.545 55.300 0.315 0.000 1.084 51 M CB -0.666 32.053 32.600 0.200 0.000 1.252 51 M HN 0.050 nan 8.290 nan 0.000 0.454 52 R N 0.150 120.646 120.500 -0.006 0.000 2.159 52 R HA -0.244 4.096 4.340 0.000 0.000 0.249 52 R C 2.170 178.456 176.300 -0.022 0.000 1.136 52 R CA 2.285 58.348 56.100 -0.061 0.000 0.951 52 R CB -1.219 28.912 30.300 -0.283 0.000 0.876 52 R HN 0.542 nan 8.270 nan 0.000 0.440 53 M N -0.018 119.482 119.600 -0.166 0.000 2.308 53 M HA -0.294 4.186 4.480 0.000 0.000 0.257 53 M C 2.289 178.457 176.300 -0.221 0.000 1.070 53 M CA 2.409 57.573 55.300 -0.227 0.000 1.080 53 M CB -0.457 31.724 32.600 -0.698 0.000 1.274 53 M HN 0.104 nan 8.290 nan 0.000 0.434 54 E N 0.247 120.304 120.200 -0.238 0.000 2.204 54 E HA -0.114 4.236 4.350 0.000 0.000 0.195 54 E C 1.615 178.305 176.600 0.150 0.000 0.990 54 E CA 1.047 57.487 56.400 0.067 0.000 0.821 54 E CB -0.179 29.612 29.700 0.153 0.000 0.750 54 E HN 0.527 nan 8.360 nan 0.000 0.477 55 L N 0.357 121.672 121.223 0.154 0.000 2.558 55 L HA 0.108 4.448 4.340 0.000 0.000 0.225 55 L C 2.237 179.269 176.870 0.270 0.000 1.128 55 L CA 0.269 55.233 54.840 0.207 0.000 0.868 55 L CB -0.319 41.820 42.059 0.133 0.000 1.006 55 L HN 0.390 nan 8.230 nan 0.000 0.454 56 M N 0.470 120.222 119.600 0.254 0.000 2.065 56 M HA -0.114 4.367 4.480 0.000 0.000 0.259 56 M C 0.882 177.413 176.300 0.385 0.000 1.069 56 M CA 1.811 57.315 55.300 0.341 0.000 1.110 56 M CB 0.141 32.955 32.600 0.357 0.000 1.328 56 M HN 0.178 nan 8.290 nan 0.000 0.405 57 A N -0.070 122.926 122.820 0.293 0.000 2.380 57 A HA 0.722 5.042 4.320 0.000 0.000 0.315 57 A C -2.580 175.047 177.584 0.072 0.000 1.101 57 A CA -1.821 50.335 52.037 0.198 0.000 0.771 57 A CB 0.496 19.547 19.000 0.085 0.000 1.287 57 A HN 0.183 nan 8.150 nan 0.000 0.436 58 P HA 0.267 nan 4.420 nan 0.000 0.277 58 P C 0.905 178.035 177.300 -0.284 0.000 1.269 58 P CA 1.610 64.355 63.100 -0.592 0.000 0.840 58 P CB 0.133 31.505 31.700 -0.547 0.000 1.156 59 G N -2.492 106.130 108.800 -0.297 0.000 2.907 59 G HA2 -0.146 3.815 3.960 0.000 0.000 0.242 59 G HA3 -0.146 3.815 3.960 0.000 0.000 0.242 59 G C -0.949 173.892 174.900 -0.099 0.000 1.448 59 G CA -0.376 44.627 45.100 -0.161 0.000 0.911 59 G HN 0.508 nan 8.290 nan 0.000 0.553 60 V N 0.927 120.806 119.914 -0.058 0.000 2.304 60 V HA 0.398 4.518 4.120 0.000 0.000 0.278 60 V C 0.748 176.841 176.094 -0.002 0.000 1.018 60 V CA -0.037 62.262 62.300 -0.002 0.000 0.814 60 V CB 1.146 32.979 31.823 0.016 0.000 1.021 60 V HN 0.757 nan 8.190 nan 0.000 0.440 61 Q N 2.413 122.218 119.800 0.008 0.000 2.259 61 Q HA 0.253 4.593 4.340 0.000 0.000 0.201 61 Q C 1.304 177.151 176.000 -0.255 0.000 0.938 61 Q CA 1.334 57.034 55.803 -0.172 0.000 0.872 61 Q CB 0.058 28.586 28.738 -0.351 0.000 0.971 61 Q HN 0.772 nan 8.270 nan 0.000 0.494 62 F N -0.808 119.145 119.950 0.005 0.000 2.383 62 F HA 0.237 4.764 4.527 0.000 0.000 0.287 62 F C 0.937 176.812 175.800 0.125 0.000 1.069 62 F CA 0.378 58.386 58.000 0.012 0.000 1.402 62 F CB 0.266 39.197 39.000 -0.116 0.000 1.116 62 F HN -0.074 nan 8.300 nan 0.000 0.549 63 M N 1.348 121.158 119.600 0.351 0.000 3.396 63 M HA 0.169 4.649 4.480 0.000 0.000 0.255 63 M C -0.979 175.481 176.300 0.267 0.000 1.398 63 M CA -0.204 55.300 55.300 0.339 0.000 1.554 63 M CB -0.473 32.341 32.600 0.357 0.000 1.070 63 M HN 0.089 nan 8.290 nan 0.000 0.587 64 c N -0.121 118.680 118.600 0.335 0.000 2.335 64 c HA 0.610 5.180 4.570 0.000 0.000 0.363 64 c C 1.845 176.038 174.090 0.172 0.000 1.198 64 c CA -0.593 55.855 56.329 0.199 0.000 2.279 64 c CB 1.149 43.704 42.510 0.075 0.000 2.334 64 c HN 0.854 nan 8.230 nan 0.000 0.559 65 A N 0.044 122.896 122.820 0.054 0.000 1.975 65 A HA -0.015 4.305 4.320 0.000 0.000 0.215 65 A C 1.869 179.452 177.584 -0.003 0.000 1.170 65 A CA 0.917 52.986 52.037 0.052 0.000 0.656 65 A CB -0.517 18.500 19.000 0.029 0.000 0.821 65 A HN 0.947 nan 8.150 nan 0.000 0.449 66 E N -0.351 119.771 120.200 -0.131 0.000 2.209 66 E HA -0.200 4.150 4.350 0.000 0.000 0.196 66 E C 1.228 177.714 176.600 -0.190 0.000 0.993 66 E CA 1.141 57.420 56.400 -0.202 0.000 0.819 66 E CB -0.193 29.351 29.700 -0.260 0.000 0.745 66 E HN 0.700 nan 8.360 nan 0.000 0.477 67 H N -0.318 118.802 119.070 0.084 0.000 2.556 67 H HA 0.018 4.574 4.556 0.000 0.000 0.268 67 H C 1.893 177.282 175.328 0.102 0.000 0.996 67 H CA 0.524 56.633 56.048 0.102 0.000 1.157 67 H CB 0.149 29.986 29.762 0.126 0.000 1.355 67 H HN 0.233 nan 8.280 nan 0.000 0.597 68 L N 0.383 121.704 121.223 0.164 0.000 2.156 68 L HA -0.124 4.216 4.340 0.000 0.000 0.208 68 L C 2.196 179.125 176.870 0.098 0.000 1.095 68 L CA 1.043 55.959 54.840 0.128 0.000 0.770 68 L CB -0.243 41.874 42.059 0.096 0.000 0.914 68 L HN 0.275 nan 8.230 nan 0.000 0.439 69 E N 0.433 120.680 120.200 0.078 0.000 2.077 69 E HA -0.105 4.245 4.350 0.000 0.000 0.193 69 E C 1.057 177.704 176.600 0.079 0.000 0.989 69 E CA 0.928 57.365 56.400 0.063 0.000 0.800 69 E CB -0.204 29.521 29.700 0.042 0.000 0.746 69 E HN 0.484 nan 8.360 nan 0.000 0.452 70 S N 1.224 116.989 115.700 0.108 0.000 2.562 70 S HA 0.273 4.743 4.470 0.000 0.000 0.281 70 S C 0.747 175.419 174.600 0.119 0.000 1.333 70 S CA -0.516 57.757 58.200 0.121 0.000 1.052 70 S CB 1.211 64.511 63.200 0.167 0.000 0.884 70 S HN 0.246 nan 8.310 nan 0.000 0.506 71 G N 0.747 109.607 108.800 0.101 0.000 2.794 71 G HA2 0.210 4.170 3.960 0.000 0.000 0.249 71 G HA3 0.210 4.170 3.960 0.000 0.000 0.249 71 G C 0.669 175.638 174.900 0.115 0.000 1.236 71 G CA -0.273 44.879 45.100 0.086 0.000 0.880 71 G HN 0.797 nan 8.290 nan 0.000 0.586 72 L N 0.985 122.257 121.223 0.083 0.000 2.056 72 L HA -0.083 4.258 4.340 0.000 0.000 0.207 72 L C 2.980 179.925 176.870 0.125 0.000 1.078 72 L CA 1.562 56.453 54.840 0.085 0.000 0.749 72 L CB -0.437 41.613 42.059 -0.015 0.000 0.901 72 L HN 0.321 nan 8.230 nan 0.000 0.433 73 V N -0.228 119.750 119.914 0.107 0.000 2.282 73 V HA -0.365 3.755 4.120 0.000 0.000 0.249 73 V C 2.593 178.937 176.094 0.416 0.000 1.057 73 V CA 2.241 64.676 62.300 0.226 0.000 1.032 73 V CB -0.873 31.049 31.823 0.165 0.000 0.645 73 V HN 0.411 nan 8.190 nan 0.000 0.447 74 K N 1.225 121.803 120.400 0.297 0.000 1.965 74 K HA -0.051 4.269 4.320 0.000 0.000 0.214 74 K C 2.276 179.079 176.600 0.340 0.000 1.046 74 K CA 1.729 58.193 56.287 0.295 0.000 0.944 74 K CB -1.406 31.206 32.500 0.186 0.000 0.726 74 K HN 0.446 nan 8.250 nan 0.000 0.441 75 G N 0.147 109.115 108.800 0.280 0.000 2.422 75 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 75 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 75 G C 1.404 176.412 174.900 0.179 0.000 1.140 75 G CA 0.418 45.666 45.100 0.246 0.000 0.775 75 G HN 0.176 nan 8.290 nan 0.000 0.545 76 F N 1.651 121.632 119.950 0.053 0.000 2.021 76 F HA -0.212 4.315 4.527 0.000 0.000 0.297 76 F C 2.394 178.136 175.800 -0.096 0.000 1.152 76 F CA 1.865 59.811 58.000 -0.089 0.000 1.201 76 F CB -0.866 37.960 39.000 -0.291 0.000 0.951 76 F HN 0.151 nan 8.300 nan 0.000 0.504 77 F N 0.774 120.769 119.950 0.075 0.000 2.141 77 F HA -0.322 4.205 4.527 0.000 0.000 0.300 77 F C 2.537 178.315 175.800 -0.038 0.000 1.079 77 F CA 2.102 60.088 58.000 -0.023 0.000 1.264 77 F CB -1.220 37.846 39.000 0.110 0.000 1.011 77 F HN 0.221 nan 8.300 nan 0.000 0.487 78 Q N -0.665 119.224 119.800 0.149 0.000 2.224 78 Q HA -0.114 4.226 4.340 0.000 0.000 0.203 78 Q C 2.136 178.108 176.000 -0.047 0.000 0.970 78 Q CA 1.402 57.253 55.803 0.080 0.000 0.865 78 Q CB -0.441 28.342 28.738 0.075 0.000 0.922 78 Q HN 0.293 nan 8.270 nan 0.000 0.445 79 S N 1.134 116.735 115.700 -0.165 0.000 2.474 79 S HA -0.015 4.455 4.470 0.000 0.000 0.235 79 S C 1.498 176.152 174.600 0.092 0.000 0.997 79 S CA 0.737 58.884 58.200 -0.088 0.000 0.949 79 S CB -0.040 63.151 63.200 -0.015 0.000 0.766 79 S HN 0.339 nan 8.310 nan 0.000 0.517 80 L N -0.501 120.769 121.223 0.079 0.000 2.629 80 L HA 0.334 4.674 4.340 0.000 0.000 0.230 80 L C 0.146 177.351 176.870 0.559 0.000 1.151 80 L CA -0.063 54.876 54.840 0.165 0.000 0.924 80 L CB -0.039 42.048 42.059 0.047 0.000 1.137 80 L HN 0.338 nan 8.230 nan 0.000 0.457 81 W N 2.560 123.992 121.300 0.220 0.000 2.756 81 W HA 0.319 4.979 4.660 0.000 0.000 0.333 81 W C -2.492 173.873 176.519 -0.257 0.000 1.025 81 W CA -1.950 55.454 57.345 0.098 0.000 1.246 81 W CB 2.465 31.952 29.460 0.045 0.000 1.358 81 W HN -0.201 nan 8.180 nan 0.000 0.444 82 P HA -0.150 nan 4.420 nan 0.000 0.269 82 P C -0.366 176.569 177.300 -0.608 0.000 1.185 82 P CA 0.981 63.310 63.100 -1.285 0.000 0.769 82 P CB 0.885 31.969 31.700 -1.026 0.000 0.809 83 S N 0.964 116.368 115.700 -0.494 0.000 2.599 83 S HA 0.740 5.210 4.470 0.000 0.000 0.294 83 S C -0.811 173.670 174.600 -0.198 0.000 1.094 83 S CA -0.635 57.438 58.200 -0.213 0.000 0.931 83 S CB 1.217 64.367 63.200 -0.083 0.000 1.093 83 S HN 0.515 nan 8.310 nan 0.000 0.488 84 A N 2.377 125.125 122.820 -0.120 0.000 2.425 84 A HA 0.474 4.794 4.320 0.000 0.000 0.249 84 A C 1.567 179.098 177.584 -0.089 0.000 1.084 84 A CA -0.194 51.781 52.037 -0.103 0.000 0.781 84 A CB -0.167 18.791 19.000 -0.071 0.000 1.019 84 A HN 1.316 nan 8.150 nan 0.000 0.490 85 V N 1.815 121.676 119.914 -0.087 0.000 2.233 85 V HA -0.311 3.810 4.120 0.000 0.000 0.252 85 V C 2.322 178.382 176.094 -0.056 0.000 1.063 85 V CA 2.427 64.684 62.300 -0.071 0.000 1.032 85 V CB -1.326 30.455 31.823 -0.070 0.000 0.645 85 V HN 0.891 nan 8.190 nan 0.000 0.446 86 E N 1.071 121.240 120.200 -0.052 0.000 2.095 86 E HA -0.245 4.106 4.350 0.000 0.000 0.212 86 E C 1.894 178.470 176.600 -0.040 0.000 1.044 86 E CA 2.023 58.398 56.400 -0.042 0.000 0.857 86 E CB -0.701 28.976 29.700 -0.038 0.000 0.764 86 E HN 0.732 nan 8.360 nan 0.000 0.462 87 N N -0.561 118.114 118.700 -0.043 0.000 2.336 87 N HA -0.019 4.721 4.740 0.000 0.000 0.189 87 N C 0.126 175.605 175.510 -0.051 0.000 1.113 87 N CA 0.063 53.087 53.050 -0.042 0.000 0.858 87 N CB 0.013 38.478 38.487 -0.036 0.000 0.970 87 N HN 0.066 nan 8.380 nan 0.000 0.471 88 c N 2.446 121.017 118.600 -0.048 0.000 2.285 88 c HA 0.376 4.946 4.570 0.000 0.000 0.335 88 c C 0.381 174.455 174.090 -0.026 0.000 1.267 88 c CA -0.438 55.868 56.329 -0.039 0.000 1.762 88 c CB -1.036 41.454 42.510 -0.033 0.000 2.365 88 c HN 0.297 nan 8.230 nan 0.000 0.527 89 T N 7.282 121.822 114.554 -0.023 0.000 2.794 89 T HA 0.255 4.605 4.350 0.000 0.000 0.304 89 T C -2.440 172.275 174.700 0.024 0.000 0.973 89 T CA -1.238 60.858 62.100 -0.008 0.000 0.972 89 T CB 0.408 69.263 68.868 -0.021 0.000 0.952 89 T HN 0.596 nan 8.240 nan 0.000 0.509 90 P HA -0.053 nan 4.420 nan 0.000 0.225 90 P C -0.056 177.286 177.300 0.069 0.000 1.054 90 P CA 0.201 63.323 63.100 0.036 0.000 1.244 90 P CB -0.325 31.378 31.700 0.005 0.000 1.310 91 N N 2.374 121.142 118.700 0.113 0.000 2.807 91 N HA 0.085 4.825 4.740 0.000 0.000 0.259 91 N C 1.684 177.305 175.510 0.184 0.000 1.149 91 N CA -0.006 53.132 53.050 0.146 0.000 1.042 91 N CB -0.371 38.218 38.487 0.171 0.000 1.367 91 N HN 0.231 nan 8.380 nan 0.000 0.516 92 G N 1.278 110.176 108.800 0.164 0.000 2.475 92 G HA2 -0.331 3.629 3.960 0.000 0.000 0.220 92 G HA3 -0.331 3.629 3.960 0.000 0.000 0.220 92 G C 1.308 176.371 174.900 0.271 0.000 1.125 92 G CA 1.005 46.226 45.100 0.202 0.000 0.755 92 G HN 0.707 nan 8.290 nan 0.000 0.565 93 H N -0.019 119.135 119.070 0.139 0.000 2.353 93 H HA -0.062 4.494 4.556 0.000 0.000 0.298 93 H C 2.362 177.756 175.328 0.111 0.000 1.103 93 H CA 1.607 57.722 56.048 0.112 0.000 1.293 93 H CB -0.319 29.486 29.762 0.072 0.000 1.372 93 H HN 0.248 nan 8.280 nan 0.000 0.501 94 L N 0.234 121.515 121.223 0.096 0.000 1.944 94 L HA -0.225 4.115 4.340 0.000 0.000 0.218 94 L C 2.503 179.361 176.870 -0.020 0.000 1.075 94 L CA 2.465 57.306 54.840 0.000 0.000 0.767 94 L CB -1.377 40.755 42.059 0.121 0.000 0.890 94 L HN 0.599 nan 8.230 nan 0.000 0.434 95 W N 0.853 122.142 121.300 -0.018 0.000 2.290 95 W HA -0.374 4.286 4.660 0.000 0.000 0.318 95 W C 2.167 178.674 176.519 -0.019 0.000 1.248 95 W CA 2.467 59.825 57.345 0.021 0.000 1.263 95 W CB -0.634 28.880 29.460 0.091 0.000 1.147 95 W HN 0.456 nan 8.180 nan 0.000 0.494 96 N N 0.206 118.942 118.700 0.060 0.000 2.043 96 N HA -0.218 4.522 4.740 0.000 0.000 0.193 96 N C 1.704 177.046 175.510 -0.281 0.000 1.037 96 N CA 2.419 55.402 53.050 -0.112 0.000 0.851 96 N CB -0.879 37.619 38.487 0.018 0.000 1.027 96 N HN -0.091 nan 8.380 nan 0.000 0.422 97 V N 1.370 121.069 119.914 -0.359 0.000 2.380 97 V HA -0.284 3.836 4.120 0.000 0.000 0.251 97 V C 2.269 178.174 176.094 -0.314 0.000 1.063 97 V CA 1.450 63.542 62.300 -0.348 0.000 1.055 97 V CB -0.496 31.083 31.823 -0.407 0.000 0.657 97 V HN 0.354 nan 8.190 nan 0.000 0.455 98 M N -0.785 118.585 119.600 -0.384 0.000 2.066 98 M HA -0.099 4.381 4.480 0.000 0.000 0.259 98 M C 2.295 178.422 176.300 -0.288 0.000 1.074 98 M CA 1.771 56.831 55.300 -0.399 0.000 1.114 98 M CB -1.217 31.110 32.600 -0.456 0.000 1.306 98 M HN 0.198 nan 8.290 nan 0.000 0.411 99 I N 0.154 120.432 120.570 -0.487 0.000 2.121 99 I HA -0.345 3.825 4.170 0.000 0.000 0.243 99 I C 2.275 178.352 176.117 -0.066 0.000 1.047 99 I CA 1.898 63.000 61.300 -0.330 0.000 1.308 99 I CB -1.968 35.816 38.000 -0.361 0.000 1.015 99 I HN 0.321 nan 8.210 nan 0.000 0.410 100 T N 0.537 115.038 114.554 -0.090 0.000 2.995 100 T HA -0.003 4.347 4.350 0.000 0.000 0.269 100 T C 1.845 176.578 174.700 0.055 0.000 1.091 100 T CA 1.046 63.148 62.100 0.005 0.000 1.128 100 T CB -0.430 68.424 68.868 -0.024 0.000 0.891 100 T HN 0.591 nan 8.240 nan 0.000 0.492 101 G N 0.611 109.452 108.800 0.069 0.000 2.421 101 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 101 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 101 G C 1.188 176.230 174.900 0.235 0.000 1.171 101 G CA 1.032 46.263 45.100 0.219 0.000 0.775 101 G HN 0.464 nan 8.290 nan 0.000 0.543 102 H N 0.933 120.076 119.070 0.122 0.000 2.840 102 H HA -0.056 4.500 4.556 0.000 0.000 0.300 102 H C 2.776 178.091 175.328 -0.021 0.000 1.020 102 H CA 2.116 58.175 56.048 0.018 0.000 1.081 102 H CB -1.014 28.753 29.762 0.009 0.000 1.510 102 H HN 0.202 nan 8.280 nan 0.000 0.756 103 G N 0.817 109.546 108.800 -0.119 0.000 2.853 103 G HA2 -0.384 3.576 3.960 0.000 0.000 0.234 103 G HA3 -0.384 3.576 3.960 0.000 0.000 0.234 103 G C 2.086 176.913 174.900 -0.120 0.000 1.198 103 G CA 2.112 47.042 45.100 -0.283 0.000 0.767 103 G HN 0.536 nan 8.290 nan 0.000 0.657 104 I N 0.481 121.133 120.570 0.137 0.000 2.118 104 I HA -0.218 3.953 4.170 0.000 0.000 0.241 104 I C 2.908 179.190 176.117 0.275 0.000 1.070 104 I CA 1.043 62.504 61.300 0.268 0.000 1.327 104 I CB -0.371 37.747 38.000 0.197 0.000 1.034 104 I HN 0.215 nan 8.210 nan 0.000 0.405 105 L N -0.619 120.709 121.223 0.174 0.000 1.963 105 L HA -0.327 4.013 4.340 0.000 0.000 0.220 105 L C 2.691 179.649 176.870 0.146 0.000 1.076 105 L CA 1.882 56.841 54.840 0.199 0.000 0.772 105 L CB -0.545 41.519 42.059 0.008 0.000 0.892 105 L HN 0.317 nan 8.230 nan 0.000 0.435 106 M N -0.829 118.737 119.600 -0.057 0.000 2.082 106 M HA -0.265 4.215 4.480 0.000 0.000 0.258 106 M C 2.227 178.383 176.300 -0.239 0.000 1.071 106 M CA 1.950 57.148 55.300 -0.170 0.000 1.103 106 M CB -0.133 32.248 32.600 -0.365 0.000 1.307 106 M HN 0.123 nan 8.290 nan 0.000 0.409 107 M N -1.593 117.758 119.600 -0.415 0.000 2.460 107 M HA -0.084 4.396 4.480 0.000 0.000 0.263 107 M C 1.190 177.253 176.300 -0.395 0.000 1.071 107 M CA 1.451 56.415 55.300 -0.561 0.000 1.096 107 M CB -0.800 31.079 32.600 -1.201 0.000 1.408 107 M HN 0.288 nan 8.290 nan 0.000 0.463 108 F N -2.508 117.309 119.950 -0.220 0.000 2.752 108 F HA 0.161 4.688 4.527 0.000 0.000 0.310 108 F C 1.292 176.671 175.800 -0.701 0.000 1.097 108 F CA 0.120 57.855 58.000 -0.441 0.000 1.238 108 F CB 0.325 38.978 39.000 -0.578 0.000 1.061 108 F HN -0.091 nan 8.300 nan 0.000 0.591 109 F N -2.364 117.733 119.950 0.245 0.000 2.819 109 F HA 0.181 4.708 4.527 0.000 0.000 0.325 109 F C 1.519 177.495 175.800 0.294 0.000 1.041 109 F CA 0.104 58.340 58.000 0.394 0.000 1.184 109 F CB -0.131 39.015 39.000 0.243 0.000 1.019 109 F HN -0.340 nan 8.300 nan 0.000 0.590 110 V N -1.040 119.006 119.914 0.219 0.000 2.465 110 V HA -0.030 4.090 4.120 0.000 0.000 0.230 110 V C 1.927 178.026 176.094 0.009 0.000 1.084 110 V CA 0.913 63.281 62.300 0.112 0.000 1.092 110 V CB -0.555 31.285 31.823 0.029 0.000 0.730 110 V HN -0.040 nan 8.190 nan 0.000 0.491 111 V N -0.197 119.672 119.914 -0.075 0.000 2.913 111 V HA -0.109 4.011 4.120 0.000 0.000 0.260 111 V C 1.903 177.923 176.094 -0.123 0.000 1.098 111 V CA 1.743 63.974 62.300 -0.115 0.000 1.121 111 V CB -0.197 31.526 31.823 -0.166 0.000 0.714 111 V HN 0.426 nan 8.190 nan 0.000 0.487 112 I N -0.547 119.938 120.570 -0.142 0.000 2.628 112 I HA -0.003 4.167 4.170 0.000 0.000 0.255 112 I C -0.416 175.656 176.117 -0.076 0.000 1.119 112 I CA 0.719 61.932 61.300 -0.144 0.000 1.448 112 I CB -0.836 37.025 38.000 -0.231 0.000 1.133 112 I HN 0.289 nan 8.210 nan 0.000 0.438 113 P HA -0.182 nan 4.420 nan 0.000 0.218 113 P C 1.262 178.544 177.300 -0.030 0.000 1.148 113 P CA 1.685 64.736 63.100 -0.081 0.000 0.822 113 P CB 0.057 31.529 31.700 -0.381 0.000 0.784 114 A N -0.651 122.134 122.820 -0.057 0.000 1.832 114 A HA -0.105 4.215 4.320 0.000 0.000 0.214 114 A C 2.145 179.625 177.584 -0.173 0.000 1.242 114 A CA 1.042 52.980 52.037 -0.166 0.000 0.603 114 A CB -1.584 17.293 19.000 -0.206 0.000 0.902 114 A HN 0.045 nan 8.150 nan 0.000 0.455 115 L N -2.089 119.106 121.223 -0.047 0.000 2.211 115 L HA -0.241 4.099 4.340 0.000 0.000 0.216 115 L C 2.261 179.223 176.870 0.153 0.000 1.092 115 L CA 2.001 56.910 54.840 0.115 0.000 0.767 115 L CB -0.219 41.885 42.059 0.076 0.000 0.894 115 L HN 0.645 nan 8.230 nan 0.000 0.437 116 F N -1.642 118.245 119.950 -0.106 0.000 2.577 116 F HA 0.248 4.776 4.527 0.000 0.000 0.276 116 F C 2.000 177.667 175.800 -0.221 0.000 1.032 116 F CA 0.660 58.582 58.000 -0.130 0.000 1.297 116 F CB -0.007 38.889 39.000 -0.172 0.000 1.061 116 F HN -0.168 nan 8.300 nan 0.000 0.680 117 G N -0.537 108.122 108.800 -0.235 0.000 2.838 117 G HA2 0.170 4.130 3.960 0.000 0.000 0.210 117 G HA3 0.170 4.130 3.960 0.000 0.000 0.210 117 G C 1.505 176.063 174.900 -0.571 0.000 1.153 117 G CA 0.583 45.226 45.100 -0.760 0.000 0.778 117 G HN 0.545 nan 8.290 nan 0.000 0.539 118 G N 0.335 108.960 108.800 -0.290 0.000 2.662 118 G HA2 0.159 4.119 3.960 0.000 0.000 0.207 118 G HA3 0.159 4.119 3.960 0.000 0.000 0.207 118 G C 1.250 176.099 174.900 -0.084 0.000 1.154 118 G CA 0.111 45.096 45.100 -0.192 0.000 0.837 118 G HN 0.188 nan 8.290 nan 0.000 0.580 119 F N 1.910 121.872 119.950 0.020 0.000 2.416 119 F HA 0.237 4.764 4.527 0.000 0.000 0.296 119 F C 2.589 178.449 175.800 0.101 0.000 1.099 119 F CA 0.122 58.114 58.000 -0.014 0.000 1.427 119 F CB -0.521 38.477 39.000 -0.003 0.000 1.079 119 F HN 0.177 nan 8.300 nan 0.000 0.536 120 G N 0.251 109.196 108.800 0.243 0.000 2.496 120 G HA2 -0.208 3.752 3.960 0.000 0.000 0.214 120 G HA3 -0.208 3.752 3.960 0.000 0.000 0.214 120 G C 1.645 176.532 174.900 -0.021 0.000 1.234 120 G CA 0.602 45.751 45.100 0.082 0.000 0.807 120 G HN 0.163 nan 8.290 nan 0.000 0.543 121 N N 0.136 118.737 118.700 -0.165 0.000 2.064 121 N HA -0.237 4.503 4.740 0.000 0.000 0.200 121 N C 1.832 177.367 175.510 0.042 0.000 1.028 121 N CA 1.780 54.769 53.050 -0.101 0.000 0.880 121 N CB -0.912 37.516 38.487 -0.099 0.000 1.062 121 N HN 0.382 nan 8.380 nan 0.000 0.454 122 Y N 0.358 120.683 120.300 0.041 0.000 2.049 122 Y HA -0.180 4.370 4.550 0.000 0.000 0.277 122 Y C 2.220 178.037 175.900 -0.137 0.000 1.143 122 Y CA 1.620 59.758 58.100 0.065 0.000 1.115 122 Y CB -0.796 37.656 38.460 -0.013 0.000 0.975 122 Y HN 0.003 nan 8.280 nan 0.000 0.487 123 F N -1.256 118.730 119.950 0.061 0.000 2.219 123 F HA -0.124 4.404 4.527 0.000 0.000 0.294 123 F C 2.575 178.275 175.800 -0.167 0.000 1.086 123 F CA 1.108 59.000 58.000 -0.180 0.000 1.330 123 F CB -0.839 37.702 39.000 -0.765 0.000 1.047 123 F HN 0.070 nan 8.300 nan 0.000 0.495 124 M N 1.940 121.598 119.600 0.096 0.000 2.110 124 M HA -0.179 4.301 4.480 0.000 0.000 0.257 124 M C -0.926 175.372 176.300 -0.004 0.000 1.071 124 M CA 2.395 57.720 55.300 0.042 0.000 1.096 124 M CB -2.036 30.577 32.600 0.023 0.000 1.300 124 M HN -0.087 nan 8.290 nan 0.000 0.411 125 P HA -0.213 nan 4.420 nan 0.000 0.218 125 P C 2.025 179.310 177.300 -0.024 0.000 1.165 125 P CA 1.919 64.901 63.100 -0.197 0.000 0.922 125 P CB -0.526 30.812 31.700 -0.603 0.000 0.794 126 L N -1.655 119.598 121.223 0.050 0.000 2.013 126 L HA -0.234 4.106 4.340 0.000 0.000 0.212 126 L C 2.783 179.830 176.870 0.295 0.000 1.073 126 L CA 1.804 56.801 54.840 0.262 0.000 0.753 126 L CB -1.516 40.650 42.059 0.179 0.000 0.890 126 L HN 0.153 nan 8.230 nan 0.000 0.432 127 H N 0.071 119.194 119.070 0.090 0.000 2.422 127 H HA -0.153 4.403 4.556 0.000 0.000 0.298 127 H C 2.268 177.526 175.328 -0.116 0.000 1.098 127 H CA 1.664 57.747 56.048 0.059 0.000 1.315 127 H CB -0.005 29.867 29.762 0.183 0.000 1.382 127 H HN 0.531 nan 8.280 nan 0.000 0.523 128 I N -2.539 118.023 120.570 -0.014 0.000 3.419 128 I HA 0.266 4.436 4.170 0.000 0.000 0.286 128 I C 0.929 176.866 176.117 -0.299 0.000 1.268 128 I CA 0.682 61.846 61.300 -0.227 0.000 1.414 128 I CB 0.579 38.409 38.000 -0.284 0.000 1.074 128 I HN 0.148 nan 8.210 nan 0.000 0.457 129 G N 1.913 110.550 108.800 -0.271 0.000 2.452 129 G HA2 0.053 4.013 3.960 0.000 0.000 0.275 129 G HA3 0.053 4.013 3.960 0.000 0.000 0.275 129 G C -0.155 174.483 174.900 -0.436 0.000 1.131 129 G CA -0.033 44.666 45.100 -0.668 0.000 1.031 129 G HN 0.975 nan 8.290 nan 0.000 0.511 130 A N 0.513 123.256 122.820 -0.128 0.000 2.413 130 A HA 0.984 5.305 4.320 0.000 0.000 0.307 130 A C -0.854 176.832 177.584 0.171 0.000 1.087 130 A CA -1.087 50.925 52.037 -0.041 0.000 0.750 130 A CB 1.519 20.471 19.000 -0.081 0.000 1.296 130 A HN 0.069 nan 8.150 nan 0.000 0.423 131 P HA -0.064 nan 4.420 nan 0.000 0.212 131 P C -0.002 177.398 177.300 0.167 0.000 1.178 131 P CA 1.714 64.925 63.100 0.185 0.000 0.915 131 P CB 0.261 32.026 31.700 0.107 0.000 0.788 132 D N -3.887 116.572 120.400 0.098 0.000 2.622 132 D HA 0.180 4.820 4.640 0.000 0.000 0.255 132 D C -0.553 175.745 176.300 -0.003 0.000 1.246 132 D CA -0.637 53.445 54.000 0.137 0.000 0.795 132 D CB 0.665 41.541 40.800 0.128 0.000 1.369 132 D HN -0.323 nan 8.370 nan 0.000 0.425 133 M N 1.598 121.175 119.600 -0.038 0.000 2.234 133 M HA 0.130 4.610 4.480 0.000 0.000 0.326 133 M C 1.558 177.791 176.300 -0.112 0.000 1.077 133 M CA 0.243 55.488 55.300 -0.091 0.000 1.052 133 M CB -0.167 32.415 32.600 -0.031 0.000 1.607 133 M HN 0.644 nan 8.290 nan 0.000 0.445 134 A N 3.342 126.018 122.820 -0.240 0.000 1.903 134 A HA -0.141 4.180 4.320 0.000 0.000 0.219 134 A C 0.560 177.839 177.584 -0.508 0.000 1.191 134 A CA 1.723 53.453 52.037 -0.511 0.000 0.638 134 A CB -0.392 18.109 19.000 -0.831 0.000 0.823 134 A HN 0.633 nan 8.150 nan 0.000 0.451 135 F N -1.296 118.672 119.950 0.029 0.000 2.451 135 F HA 0.398 4.926 4.527 0.000 0.000 0.367 135 F C -2.100 173.727 175.800 0.046 0.000 1.100 135 F CA -2.523 55.500 58.000 0.037 0.000 1.171 135 F CB 1.283 40.305 39.000 0.038 0.000 1.405 135 F HN 0.004 nan 8.300 nan 0.000 0.482 136 P HA -0.084 nan 4.420 nan 0.000 0.217 136 P C 1.854 179.230 177.300 0.128 0.000 1.151 136 P CA 1.249 64.421 63.100 0.120 0.000 0.828 136 P CB 0.350 32.092 31.700 0.070 0.000 0.788 137 R N -0.896 119.685 120.500 0.136 0.000 2.061 137 R HA -0.050 4.291 4.340 0.000 0.000 0.230 137 R C 2.424 178.809 176.300 0.141 0.000 1.140 137 R CA 1.573 57.744 56.100 0.118 0.000 0.940 137 R CB -0.888 29.470 30.300 0.096 0.000 0.839 137 R HN 0.106 nan 8.270 nan 0.000 0.429 138 M N 0.768 120.455 119.600 0.145 0.000 2.088 138 M HA -0.310 4.170 4.480 0.000 0.000 0.256 138 M C 1.908 178.315 176.300 0.179 0.000 1.071 138 M CA 2.175 57.556 55.300 0.135 0.000 1.097 138 M CB -0.358 32.302 32.600 0.100 0.000 1.315 138 M HN 0.114 nan 8.290 nan 0.000 0.406 139 N N 0.713 119.531 118.700 0.198 0.000 2.011 139 N HA -0.258 4.482 4.740 0.000 0.000 0.199 139 N C 1.326 176.987 175.510 0.251 0.000 1.047 139 N CA 2.321 55.498 53.050 0.210 0.000 0.863 139 N CB -0.569 38.021 38.487 0.171 0.000 1.056 139 N HN 0.362 nan 8.380 nan 0.000 0.427 140 N N 0.161 118.996 118.700 0.224 0.000 2.049 140 N HA -0.202 4.538 4.740 0.000 0.000 0.198 140 N C 1.721 177.460 175.510 0.381 0.000 1.030 140 N CA 1.475 54.698 53.050 0.289 0.000 0.870 140 N CB -0.748 37.888 38.487 0.248 0.000 1.045 140 N HN 0.415 nan 8.380 nan 0.000 0.434 141 L N 0.434 121.837 121.223 0.299 0.000 2.189 141 L HA -0.129 4.211 4.340 0.000 0.000 0.214 141 L C 1.909 178.946 176.870 0.277 0.000 1.097 141 L CA 1.656 56.665 54.840 0.283 0.000 0.764 141 L CB -0.736 41.434 42.059 0.185 0.000 0.900 141 L HN 0.133 nan 8.230 nan 0.000 0.436 142 S N -0.823 115.047 115.700 0.282 0.000 2.344 142 S HA -0.283 4.187 4.470 0.000 0.000 0.217 142 S C 1.866 176.648 174.600 0.304 0.000 1.033 142 S CA 1.573 59.959 58.200 0.310 0.000 1.017 142 S CB -1.104 62.321 63.200 0.376 0.000 0.941 142 S HN 0.667 nan 8.310 nan 0.000 0.430 143 Y N 0.905 121.306 120.300 0.168 0.000 2.241 143 Y HA -0.206 4.344 4.550 0.000 0.000 0.286 143 Y C 1.799 177.534 175.900 -0.276 0.000 1.166 143 Y CA 1.177 59.106 58.100 -0.285 0.000 1.203 143 Y CB -0.459 37.738 38.460 -0.439 0.000 0.977 143 Y HN 0.273 nan 8.280 nan 0.000 0.529 144 W N -0.270 121.015 121.300 -0.025 0.000 2.476 144 W HA -0.027 4.633 4.660 0.000 0.000 0.281 144 W C 2.151 178.617 176.519 -0.088 0.000 1.230 144 W CA 0.738 58.002 57.345 -0.134 0.000 1.287 144 W CB -0.329 29.150 29.460 0.031 0.000 1.108 144 W HN -0.013 nan 8.180 nan 0.000 0.567 145 L N -0.596 120.745 121.223 0.197 0.000 2.042 145 L HA -0.295 4.045 4.340 0.000 0.000 0.210 145 L C 2.426 179.395 176.870 0.165 0.000 1.076 145 L CA 1.552 56.496 54.840 0.174 0.000 0.749 145 L CB -1.277 40.895 42.059 0.188 0.000 0.893 145 L HN 0.075 nan 8.230 nan 0.000 0.432 146 Y N 0.308 120.599 120.300 -0.014 0.000 2.193 146 Y HA -0.260 4.290 4.550 0.000 0.000 0.285 146 Y C 2.345 178.211 175.900 -0.056 0.000 1.166 146 Y CA 1.507 59.615 58.100 0.012 0.000 1.181 146 Y CB -0.550 37.819 38.460 -0.151 0.000 0.976 146 Y HN -0.142 nan 8.280 nan 0.000 0.520 147 V N 0.458 120.085 119.914 -0.478 0.000 2.270 147 V HA -0.303 3.817 4.120 0.000 0.000 0.245 147 V C 2.720 178.691 176.094 -0.204 0.000 1.043 147 V CA 1.853 63.873 62.300 -0.467 0.000 1.014 147 V CB -1.479 30.144 31.823 -0.333 0.000 0.645 147 V HN 0.605 nan 8.190 nan 0.000 0.447 148 A N 0.190 122.992 122.820 -0.030 0.000 1.869 148 A HA -0.250 4.070 4.320 0.000 0.000 0.218 148 A C 2.422 179.984 177.584 -0.036 0.000 1.203 148 A CA 2.535 54.575 52.037 0.006 0.000 0.638 148 A CB -1.629 17.410 19.000 0.066 0.000 0.831 148 A HN 0.603 nan 8.150 nan 0.000 0.450 149 G N -1.189 107.645 108.800 0.056 0.000 2.681 149 G HA2 -0.347 3.613 3.960 0.000 0.000 0.220 149 G HA3 -0.347 3.613 3.960 0.000 0.000 0.220 149 G C 1.611 176.287 174.900 -0.374 0.000 1.210 149 G CA 2.175 47.361 45.100 0.143 0.000 0.783 149 G HN 0.469 nan 8.290 nan 0.000 0.609 150 T N 1.099 115.141 114.554 -0.854 0.000 2.597 150 T HA -0.204 4.146 4.350 0.000 0.000 0.267 150 T C 2.799 177.141 174.700 -0.596 0.000 1.053 150 T CA 1.942 63.299 62.100 -1.239 0.000 1.165 150 T CB -0.551 67.815 68.868 -0.837 0.000 0.863 150 T HN 0.300 nan 8.240 nan 0.000 0.427 151 S N 1.300 116.796 115.700 -0.339 0.000 2.351 151 S HA -0.055 4.416 4.470 0.000 0.000 0.220 151 S C 2.092 176.614 174.600 -0.130 0.000 1.035 151 S CA 1.189 59.285 58.200 -0.173 0.000 1.031 151 S CB -0.679 62.469 63.200 -0.087 0.000 0.928 151 S HN 0.349 nan 8.310 nan 0.000 0.433 152 L N 1.384 122.547 121.223 -0.101 0.000 1.971 152 L HA -0.224 4.116 4.340 0.000 0.000 0.215 152 L C 2.896 179.711 176.870 -0.091 0.000 1.072 152 L CA 1.473 56.287 54.840 -0.042 0.000 0.758 152 L CB -1.087 40.985 42.059 0.022 0.000 0.889 152 L HN 0.352 nan 8.230 nan 0.000 0.433 153 A N -0.267 122.445 122.820 -0.180 0.000 1.940 153 A HA -0.216 4.104 4.320 0.000 0.000 0.221 153 A C 2.346 179.816 177.584 -0.190 0.000 1.190 153 A CA 2.443 54.358 52.037 -0.204 0.000 0.647 153 A CB -1.028 17.740 19.000 -0.386 0.000 0.821 153 A HN 0.257 nan 8.150 nan 0.000 0.457 154 V N -0.653 119.132 119.914 -0.216 0.000 2.323 154 V HA -0.159 3.961 4.120 0.000 0.000 0.244 154 V C 3.047 179.037 176.094 -0.173 0.000 1.041 154 V CA 1.743 63.936 62.300 -0.178 0.000 1.025 154 V CB -1.178 30.563 31.823 -0.137 0.000 0.656 154 V HN 0.657 nan 8.190 nan 0.000 0.451 155 A N -0.253 122.522 122.820 -0.075 0.000 1.892 155 A HA -0.308 4.012 4.320 0.000 0.000 0.218 155 A C 2.542 180.088 177.584 -0.065 0.000 1.188 155 A CA 2.407 54.449 52.037 0.008 0.000 0.631 155 A CB -1.119 17.910 19.000 0.049 0.000 0.822 155 A HN 0.527 nan 8.150 nan 0.000 0.447 156 S N -0.281 115.367 115.700 -0.088 0.000 2.421 156 S HA -0.204 4.266 4.470 0.000 0.000 0.239 156 S C 1.572 176.059 174.600 -0.188 0.000 1.054 156 S CA 1.793 59.928 58.200 -0.109 0.000 1.035 156 S CB -0.711 62.438 63.200 -0.084 0.000 0.840 156 S HN 0.493 nan 8.310 nan 0.000 0.475 157 L N -0.608 120.413 121.223 -0.336 0.000 2.610 157 L HA 0.187 4.528 4.340 0.000 0.000 0.232 157 L C 0.914 177.412 176.870 -0.619 0.000 1.149 157 L CA 0.304 54.835 54.840 -0.514 0.000 0.872 157 L CB -0.262 41.329 42.059 -0.780 0.000 0.992 157 L HN 0.284 nan 8.230 nan 0.000 0.447 158 F N -0.381 119.524 119.950 -0.074 0.000 2.798 158 F HA 0.434 4.961 4.527 0.000 0.000 0.328 158 F C 1.117 176.860 175.800 -0.095 0.000 1.098 158 F CA -0.995 56.961 58.000 -0.073 0.000 1.172 158 F CB -0.099 38.865 39.000 -0.060 0.000 1.072 158 F HN -0.123 nan 8.300 nan 0.000 0.555 159 A N 0.028 122.835 122.820 -0.022 0.000 2.306 159 A HA 0.665 4.985 4.320 0.000 0.000 0.330 159 A C -2.344 175.055 177.584 -0.308 0.000 1.146 159 A CA -1.794 50.115 52.037 -0.214 0.000 0.827 159 A CB -0.026 18.783 19.000 -0.319 0.000 1.178 159 A HN -0.094 nan 8.150 nan 0.000 0.490 160 P HA -0.104 nan 4.420 nan 0.000 0.200 160 P C 0.325 177.510 177.300 -0.192 0.000 0.924 160 P CA 1.614 64.538 63.100 -0.292 0.000 1.021 160 P CB -0.318 31.134 31.700 -0.414 0.000 1.047 161 G N 2.728 111.480 108.800 -0.080 0.000 2.552 161 G HA2 0.571 4.531 3.960 0.000 0.000 0.324 161 G HA3 0.571 4.531 3.960 0.000 0.000 0.324 161 G C 0.173 175.047 174.900 -0.044 0.000 1.217 161 G CA -0.400 44.690 45.100 -0.016 0.000 0.989 161 G HN 0.484 nan 8.290 nan 0.000 0.490 162 G N -0.477 108.310 108.800 -0.021 0.000 2.460 162 G HA2 0.214 4.174 3.960 0.000 0.000 0.230 162 G HA3 0.214 4.174 3.960 0.000 0.000 0.230 162 G C 0.572 175.230 174.900 -0.403 0.000 1.248 162 G CA 0.614 45.637 45.100 -0.129 0.000 0.863 162 G HN 0.989 nan 8.290 nan 0.000 0.549 163 N N -0.084 118.461 118.700 -0.259 0.000 2.782 163 N HA -0.257 4.483 4.740 0.000 0.000 0.251 163 N C 1.550 176.958 175.510 -0.169 0.000 1.101 163 N CA 2.195 55.105 53.050 -0.232 0.000 0.764 163 N CB -1.350 36.947 38.487 -0.316 0.000 1.122 163 N HN 2.058 nan 8.380 nan 0.000 0.561 164 G N -0.886 107.841 108.800 -0.122 0.000 2.225 164 G HA2 -0.368 3.592 3.960 0.000 0.000 0.254 164 G HA3 -0.368 3.592 3.960 0.000 0.000 0.254 164 G C 0.276 175.147 174.900 -0.049 0.000 0.988 164 G CA 0.956 46.019 45.100 -0.061 0.000 0.625 164 G HN 0.539 nan 8.290 nan 0.000 0.527 165 Q N -0.427 119.317 119.800 -0.094 0.000 2.335 165 Q HA 0.703 5.044 4.340 0.000 0.000 0.180 165 Q C 0.702 176.718 176.000 0.027 0.000 1.101 165 Q CA -0.214 55.593 55.803 0.007 0.000 1.165 165 Q CB 0.619 29.424 28.738 0.111 0.000 1.220 165 Q HN 0.441 nan 8.270 nan 0.000 0.626 166 L N -0.850 120.428 121.223 0.092 0.000 2.332 166 L HA 0.635 4.975 4.340 0.000 0.000 0.269 166 L C 0.287 177.223 176.870 0.109 0.000 1.016 166 L CA -0.686 54.188 54.840 0.057 0.000 0.809 166 L CB 1.370 43.467 42.059 0.064 0.000 1.280 166 L HN 0.876 nan 8.230 nan 0.000 0.447 167 G N 0.638 109.449 108.800 0.017 0.000 2.778 167 G HA2 -0.187 3.773 3.960 0.000 0.000 0.686 167 G HA3 -0.187 3.773 3.960 0.000 0.000 0.686 167 G C -0.505 174.427 174.900 0.054 0.000 1.309 167 G CA -0.747 44.340 45.100 -0.022 0.000 0.904 167 G HN 0.488 nan 8.290 nan 0.000 0.593 168 S N 1.096 116.785 115.700 -0.020 0.000 2.399 168 S HA 0.554 5.024 4.470 0.000 0.000 0.301 168 S C 0.932 175.517 174.600 -0.025 0.000 1.093 168 S CA 0.259 58.467 58.200 0.014 0.000 1.077 168 S CB 1.287 64.479 63.200 -0.013 0.000 0.980 168 S HN 1.612 nan 8.310 nan 0.000 0.494 169 G N 3.198 112.015 108.800 0.028 0.000 2.977 169 G HA2 0.467 4.427 3.960 0.000 0.000 0.306 169 G HA3 0.467 4.427 3.960 0.000 0.000 0.306 169 G C 0.318 175.242 174.900 0.039 0.000 0.885 169 G CA -0.265 44.810 45.100 -0.041 0.000 1.649 169 G HN 0.743 nan 8.290 nan 0.000 0.514 170 I N 0.647 121.220 120.570 0.005 0.000 3.739 170 I HA 0.455 4.625 4.170 0.000 0.000 0.272 170 I C 1.105 177.213 176.117 -0.014 0.000 1.167 170 I CA 0.218 61.522 61.300 0.008 0.000 1.386 170 I CB 0.946 38.934 38.000 -0.019 0.000 1.490 170 I HN 0.524 nan 8.210 nan 0.000 0.452 171 G N -0.044 108.740 108.800 -0.026 0.000 2.352 171 G HA2 0.011 3.972 3.960 0.000 0.000 0.303 171 G HA3 0.011 3.972 3.960 0.000 0.000 0.303 171 G C -0.224 174.685 174.900 0.015 0.000 1.593 171 G CA -0.224 44.858 45.100 -0.030 0.000 0.963 171 G HN 0.278 nan 8.290 nan 0.000 0.685 172 W N 1.065 122.307 121.300 -0.097 0.000 2.277 172 W HA -0.232 4.428 4.660 0.000 0.000 0.327 172 W C 1.163 177.640 176.519 -0.069 0.000 1.284 172 W CA 2.656 59.962 57.345 -0.066 0.000 1.277 172 W CB -1.601 27.830 29.460 -0.048 0.000 1.141 172 W HN 0.536 nan 8.180 nan 0.000 0.482 173 V N 2.366 122.056 119.914 -0.373 0.000 3.306 173 V HA -0.051 4.070 4.120 0.000 0.000 0.264 173 V C 1.480 177.438 176.094 -0.228 0.000 1.149 173 V CA 0.986 62.953 62.300 -0.554 0.000 1.143 173 V CB -1.282 30.033 31.823 -0.846 0.000 0.767 173 V HN 0.300 nan 8.190 nan 0.000 0.476 174 L N -1.227 119.898 121.223 -0.163 0.000 3.550 174 L HA -0.203 4.138 4.340 0.000 0.000 0.523 174 L C -0.271 176.517 176.870 -0.136 0.000 1.312 174 L CA -0.089 54.679 54.840 -0.120 0.000 0.864 174 L CB -2.277 39.708 42.059 -0.124 0.000 1.592 174 L HN 0.198 nan 8.230 nan 0.000 0.859 175 Y N 1.176 121.349 120.300 -0.212 0.000 2.300 175 Y HA 0.645 5.195 4.550 0.000 0.000 0.328 175 Y C -1.420 174.238 175.900 -0.405 0.000 1.270 175 Y CA -2.346 55.545 58.100 -0.348 0.000 1.352 175 Y CB 0.638 39.045 38.460 -0.088 0.000 1.286 175 Y HN 0.093 nan 8.280 nan 0.000 0.536 176 P HA 0.327 nan 4.420 nan 0.000 0.310 176 P C -2.427 174.816 177.300 -0.095 0.000 1.278 176 P CA -1.890 61.090 63.100 -0.199 0.000 0.892 176 P CB 2.459 33.995 31.700 -0.273 0.000 1.352 177 P HA -0.113 nan 4.420 nan 0.000 0.226 177 P C 1.607 178.910 177.300 0.004 0.000 1.146 177 P CA 0.501 63.608 63.100 0.012 0.000 0.773 177 P CB -0.171 31.555 31.700 0.044 0.000 0.772 178 L N 1.712 122.945 121.223 0.016 0.000 2.013 178 L HA -0.180 4.160 4.340 0.000 0.000 0.212 178 L C 2.383 179.256 176.870 0.005 0.000 1.073 178 L CA 2.648 57.505 54.840 0.030 0.000 0.753 178 L CB -1.819 40.275 42.059 0.058 0.000 0.890 178 L HN 0.095 nan 8.230 nan 0.000 0.432 179 S N -2.096 113.583 115.700 -0.036 0.000 2.442 179 S HA -0.153 4.317 4.470 0.000 0.000 0.236 179 S C 1.775 176.347 174.600 -0.045 0.000 1.007 179 S CA 1.350 59.512 58.200 -0.063 0.000 0.965 179 S CB -1.173 61.940 63.200 -0.145 0.000 0.773 179 S HN 0.689 nan 8.310 nan 0.000 0.504 180 T N -0.094 114.444 114.554 -0.026 0.000 3.035 180 T HA 0.087 4.437 4.350 0.000 0.000 0.259 180 T C 1.996 176.705 174.700 0.015 0.000 1.078 180 T CA 0.806 62.911 62.100 0.008 0.000 1.132 180 T CB -0.555 68.341 68.868 0.046 0.000 0.900 180 T HN 0.579 nan 8.240 nan 0.000 0.480 181 S N 0.982 116.691 115.700 0.016 0.000 2.446 181 S HA 0.090 4.560 4.470 0.000 0.000 0.225 181 S C 0.794 175.403 174.600 0.015 0.000 1.016 181 S CA -0.188 58.023 58.200 0.018 0.000 0.943 181 S CB -0.537 62.677 63.200 0.023 0.000 0.786 181 S HN 0.673 nan 8.310 nan 0.000 0.508 182 E N 3.290 123.499 120.200 0.016 0.000 2.694 182 E HA 0.059 4.409 4.350 0.000 0.000 0.250 182 E C 0.065 176.674 176.600 0.014 0.000 0.963 182 E CA -0.107 56.303 56.400 0.017 0.000 0.949 182 E CB 0.302 30.017 29.700 0.025 0.000 0.911 182 E HN 0.522 nan 8.360 nan 0.000 0.500 183 S N 3.232 118.936 115.700 0.006 0.000 2.606 183 S HA 0.552 5.022 4.470 0.000 0.000 0.257 183 S C 0.809 175.417 174.600 0.015 0.000 1.327 183 S CA -0.572 57.634 58.200 0.010 0.000 0.984 183 S CB 0.906 64.106 63.200 -0.001 0.000 0.941 183 S HN 1.121 nan 8.310 nan 0.000 0.576 184 G N 0.123 108.946 108.800 0.039 0.000 2.855 184 G HA2 -0.177 3.783 3.960 0.000 0.000 0.352 184 G HA3 -0.177 3.783 3.960 0.000 0.000 0.352 184 G C -0.303 174.663 174.900 0.110 0.000 1.415 184 G CA 0.145 45.276 45.100 0.052 0.000 0.871 184 G HN 1.747 nan 8.290 nan 0.000 0.543 185 Y N -1.443 118.869 120.300 0.020 0.000 2.584 185 Y HA 0.614 5.164 4.550 0.000 0.000 0.254 185 Y C 2.184 178.106 175.900 0.038 0.000 1.177 185 Y CA 0.570 58.687 58.100 0.028 0.000 1.216 185 Y CB -0.311 38.167 38.460 0.031 0.000 1.172 185 Y HN 0.825 nan 8.280 nan 0.000 0.529 186 S N 1.010 116.633 115.700 -0.129 0.000 2.351 186 S HA -0.211 4.259 4.470 0.000 0.000 0.220 186 S C 1.822 176.413 174.600 -0.016 0.000 1.035 186 S CA 2.479 60.609 58.200 -0.117 0.000 1.031 186 S CB -0.803 62.333 63.200 -0.107 0.000 0.928 186 S HN 0.601 nan 8.310 nan 0.000 0.433 187 T N 1.498 116.053 114.554 0.002 0.000 2.977 187 T HA -0.048 4.302 4.350 0.000 0.000 0.271 187 T C 1.035 175.752 174.700 0.029 0.000 1.105 187 T CA 1.526 63.627 62.100 0.001 0.000 1.116 187 T CB -0.655 68.205 68.868 -0.013 0.000 0.878 187 T HN 0.572 nan 8.240 nan 0.000 0.509 188 D N 1.260 121.718 120.400 0.096 0.000 2.084 188 D HA -0.001 4.640 4.640 0.000 0.000 0.196 188 D C 2.011 178.464 176.300 0.256 0.000 0.985 188 D CA 0.680 54.778 54.000 0.165 0.000 0.826 188 D CB -0.422 40.522 40.800 0.240 0.000 0.978 188 D HN 0.260 nan 8.370 nan 0.000 0.456 189 L N 0.957 122.323 121.223 0.239 0.000 1.963 189 L HA -0.287 4.053 4.340 0.000 0.000 0.220 189 L C 2.582 179.536 176.870 0.140 0.000 1.076 189 L CA 1.560 56.526 54.840 0.211 0.000 0.772 189 L CB -0.792 41.349 42.059 0.135 0.000 0.892 189 L HN 0.046 nan 8.230 nan 0.000 0.435 190 A N -0.006 122.841 122.820 0.044 0.000 1.971 190 A HA -0.252 4.068 4.320 0.000 0.000 0.222 190 A C 2.227 179.776 177.584 -0.058 0.000 1.182 190 A CA 2.027 54.054 52.037 -0.016 0.000 0.649 190 A CB -0.744 18.226 19.000 -0.049 0.000 0.818 190 A HN 0.375 nan 8.150 nan 0.000 0.458 191 I N -1.522 119.005 120.570 -0.072 0.000 2.142 191 I HA -0.198 3.972 4.170 0.000 0.000 0.240 191 I C 2.142 178.141 176.117 -0.196 0.000 1.078 191 I CA 1.502 62.673 61.300 -0.214 0.000 1.343 191 I CB -1.471 36.348 38.000 -0.302 0.000 1.046 191 I HN 0.358 nan 8.210 nan 0.000 0.405 192 F N 0.933 120.922 119.950 0.065 0.000 2.699 192 F HA 0.031 4.558 4.527 0.000 0.000 0.298 192 F C 2.371 178.228 175.800 0.095 0.000 1.154 192 F CA 0.693 58.788 58.000 0.157 0.000 1.457 192 F CB -0.727 38.359 39.000 0.142 0.000 1.106 192 F HN 0.002 nan 8.300 nan 0.000 0.585 193 A N -0.253 122.676 122.820 0.181 0.000 1.898 193 A HA -0.049 4.271 4.320 0.000 0.000 0.214 193 A C 2.320 179.994 177.584 0.150 0.000 1.183 193 A CA 1.337 53.472 52.037 0.164 0.000 0.622 193 A CB -0.992 18.058 19.000 0.083 0.000 0.824 193 A HN 0.140 nan 8.150 nan 0.000 0.444 194 V N -0.214 119.630 119.914 -0.117 0.000 2.343 194 V HA -0.299 3.821 4.120 0.000 0.000 0.247 194 V C 2.280 178.280 176.094 -0.156 0.000 1.051 194 V CA 2.404 64.471 62.300 -0.389 0.000 1.036 194 V CB -1.115 30.334 31.823 -0.623 0.000 0.654 194 V HN 0.725 nan 8.190 nan 0.000 0.451 195 H N -0.236 118.809 119.070 -0.041 0.000 2.254 195 H HA -0.174 4.382 4.556 0.000 0.000 0.294 195 H C 2.257 177.639 175.328 0.091 0.000 1.071 195 H CA 2.257 58.320 56.048 0.025 0.000 1.228 195 H CB -0.270 29.547 29.762 0.091 0.000 1.358 195 H HN 0.227 nan 8.280 nan 0.000 0.495 196 L N -0.516 120.883 121.223 0.293 0.000 2.081 196 L HA -0.263 4.078 4.340 0.000 0.000 0.212 196 L C 2.682 179.694 176.870 0.236 0.000 1.080 196 L CA 1.302 56.285 54.840 0.238 0.000 0.754 196 L CB -0.552 41.640 42.059 0.223 0.000 0.893 196 L HN 0.276 nan 8.230 nan 0.000 0.433 197 S N 0.006 115.852 115.700 0.244 0.000 2.368 197 S HA -0.111 4.359 4.470 0.000 0.000 0.224 197 S C 2.036 176.738 174.600 0.171 0.000 1.029 197 S CA 1.260 59.582 58.200 0.203 0.000 0.988 197 S CB -0.392 62.839 63.200 0.052 0.000 0.838 197 S HN 0.538 nan 8.310 nan 0.000 0.462 198 G N 1.097 109.993 108.800 0.160 0.000 2.476 198 G HA2 -0.144 3.816 3.960 0.000 0.000 0.218 198 G HA3 -0.144 3.816 3.960 0.000 0.000 0.218 198 G C 1.648 176.612 174.900 0.106 0.000 1.164 198 G CA 1.173 46.345 45.100 0.119 0.000 0.768 198 G HN 0.683 nan 8.290 nan 0.000 0.560 199 A N 0.768 123.667 122.820 0.131 0.000 1.849 199 A HA -0.146 4.175 4.320 0.000 0.000 0.217 199 A C 2.654 180.311 177.584 0.121 0.000 1.202 199 A CA 2.827 54.935 52.037 0.119 0.000 0.629 199 A CB -1.329 17.751 19.000 0.135 0.000 0.834 199 A HN 0.567 nan 8.150 nan 0.000 0.447 200 S N -0.757 115.038 115.700 0.160 0.000 2.380 200 S HA -0.238 4.232 4.470 0.000 0.000 0.229 200 S C 2.272 176.960 174.600 0.147 0.000 1.050 200 S CA 2.434 60.749 58.200 0.191 0.000 1.100 200 S CB -0.607 62.745 63.200 0.254 0.000 0.984 200 S HN 0.571 nan 8.310 nan 0.000 0.434 201 S N 0.585 116.332 115.700 0.079 0.000 2.402 201 S HA 0.086 4.556 4.470 0.000 0.000 0.229 201 S C 1.726 176.317 174.600 -0.014 0.000 1.021 201 S CA 1.271 59.458 58.200 -0.022 0.000 0.974 201 S CB -0.404 62.695 63.200 -0.168 0.000 0.800 201 S HN 0.559 nan 8.310 nan 0.000 0.484 202 I N 1.170 121.751 120.570 0.019 0.000 2.439 202 I HA -0.143 4.027 4.170 0.000 0.000 0.251 202 I C 1.888 178.023 176.117 0.029 0.000 1.139 202 I CA 0.830 62.136 61.300 0.011 0.000 1.438 202 I CB -0.318 37.696 38.000 0.022 0.000 1.085 202 I HN 0.239 nan 8.210 nan 0.000 0.427 203 L N 0.343 121.604 121.223 0.062 0.000 2.005 203 L HA -0.103 4.237 4.340 0.000 0.000 0.207 203 L C 2.770 179.706 176.870 0.110 0.000 1.072 203 L CA 1.602 56.486 54.840 0.072 0.000 0.744 203 L CB -1.588 40.528 42.059 0.094 0.000 0.895 203 L HN 0.308 nan 8.230 nan 0.000 0.433 204 G N 0.277 109.168 108.800 0.151 0.000 2.719 204 G HA2 -0.400 3.560 3.960 0.000 0.000 0.219 204 G HA3 -0.400 3.560 3.960 0.000 0.000 0.219 204 G C 1.745 176.760 174.900 0.191 0.000 1.234 204 G CA 1.584 46.811 45.100 0.212 0.000 0.788 204 G HN 0.493 nan 8.290 nan 0.000 0.619 205 A N 0.557 123.462 122.820 0.142 0.000 1.929 205 A HA -0.192 4.128 4.320 0.000 0.000 0.221 205 A C 2.487 180.052 177.584 -0.032 0.000 1.211 205 A CA 2.008 54.076 52.037 0.052 0.000 0.657 205 A CB -0.510 18.448 19.000 -0.069 0.000 0.827 205 A HN 0.458 nan 8.150 nan 0.000 0.462 206 I N -0.942 119.623 120.570 -0.008 0.000 2.142 206 I HA -0.263 3.907 4.170 0.000 0.000 0.240 206 I C 2.496 178.685 176.117 0.120 0.000 1.078 206 I CA 1.564 62.863 61.300 -0.001 0.000 1.343 206 I CB -0.635 37.372 38.000 0.012 0.000 1.046 206 I HN 0.405 nan 8.210 nan 0.000 0.405 207 N N 1.183 120.014 118.700 0.219 0.000 2.036 207 N HA -0.242 4.498 4.740 0.000 0.000 0.199 207 N C 1.884 177.457 175.510 0.105 0.000 1.036 207 N CA 1.980 55.205 53.050 0.290 0.000 0.870 207 N CB -0.270 38.358 38.487 0.235 0.000 1.055 207 N HN 0.218 nan 8.380 nan 0.000 0.436 208 M N -0.092 119.540 119.600 0.053 0.000 2.086 208 M HA -0.135 4.345 4.480 0.000 0.000 0.261 208 M C 2.362 178.694 176.300 0.052 0.000 1.067 208 M CA 1.144 56.452 55.300 0.014 0.000 1.116 208 M CB -0.654 31.916 32.600 -0.049 0.000 1.348 208 M HN 0.148 nan 8.290 nan 0.000 0.407 209 I N 0.260 120.811 120.570 -0.031 0.000 2.118 209 I HA -0.331 3.839 4.170 0.000 0.000 0.241 209 I C 2.442 178.631 176.117 0.120 0.000 1.070 209 I CA 1.664 62.947 61.300 -0.029 0.000 1.327 209 I CB -0.531 37.220 38.000 -0.415 0.000 1.034 209 I HN 0.377 nan 8.210 nan 0.000 0.405 210 T N -0.150 114.455 114.554 0.085 0.000 2.520 210 T HA -0.234 4.116 4.350 0.000 0.000 0.258 210 T C 1.799 176.513 174.700 0.024 0.000 1.125 210 T CA 2.259 64.402 62.100 0.071 0.000 1.206 210 T CB -0.676 68.208 68.868 0.028 0.000 0.864 210 T HN 0.353 nan 8.240 nan 0.000 0.400 211 T N 1.888 116.402 114.554 -0.067 0.000 2.442 211 T HA -0.259 4.091 4.350 0.000 0.000 0.237 211 T C 1.469 176.175 174.700 0.011 0.000 1.361 211 T CA 2.307 64.363 62.100 -0.073 0.000 1.127 211 T CB -0.812 68.013 68.868 -0.073 0.000 0.845 211 T HN 0.398 nan 8.240 nan 0.000 0.433 212 F N 1.240 121.130 119.950 -0.100 0.000 2.269 212 F HA 0.056 4.584 4.527 0.000 0.000 0.301 212 F C 1.874 177.556 175.800 -0.198 0.000 1.082 212 F CA 0.926 58.826 58.000 -0.167 0.000 1.360 212 F CB -0.488 38.390 39.000 -0.203 0.000 1.041 212 F HN 0.176 nan 8.300 nan 0.000 0.512 213 L N -0.455 120.935 121.223 0.278 0.000 2.249 213 L HA -0.057 4.283 4.340 0.000 0.000 0.207 213 L C 1.996 178.863 176.870 -0.004 0.000 1.090 213 L CA 1.056 55.984 54.840 0.147 0.000 0.802 213 L CB -0.595 41.641 42.059 0.294 0.000 0.947 213 L HN 0.180 nan 8.230 nan 0.000 0.453 214 N N 0.548 119.242 118.700 -0.010 0.000 2.322 214 N HA -0.007 4.734 4.740 0.000 0.000 0.186 214 N C 1.479 176.938 175.510 -0.086 0.000 1.037 214 N CA 0.984 54.009 53.050 -0.040 0.000 0.869 214 N CB 0.109 38.572 38.487 -0.039 0.000 1.036 214 N HN 0.068 nan 8.380 nan 0.000 0.439 215 M N 0.525 120.059 119.600 -0.109 0.000 2.581 215 M HA 0.197 4.678 4.480 0.000 0.000 0.224 215 M C 0.032 176.241 176.300 -0.152 0.000 1.171 215 M CA -0.075 55.154 55.300 -0.119 0.000 0.993 215 M CB 0.184 32.715 32.600 -0.114 0.000 1.685 215 M HN -0.049 nan 8.290 nan 0.000 0.479 216 R N 1.530 121.909 120.500 -0.201 0.000 2.698 216 R HA 0.330 4.670 4.340 0.000 0.000 0.266 216 R C 0.259 176.456 176.300 -0.172 0.000 1.026 216 R CA -0.139 55.813 56.100 -0.247 0.000 1.102 216 R CB 0.551 30.653 30.300 -0.330 0.000 0.978 216 R HN 0.328 nan 8.270 nan 0.000 0.436 217 A N 5.074 127.794 122.820 -0.167 0.000 2.386 217 A HA 0.276 4.596 4.320 0.000 0.000 0.248 217 A C -2.045 175.538 177.584 -0.002 0.000 1.082 217 A CA -1.312 50.679 52.037 -0.076 0.000 0.789 217 A CB -0.150 18.821 19.000 -0.048 0.000 1.025 217 A HN 0.448 nan 8.150 nan 0.000 0.490 218 P HA 0.138 nan 4.420 nan 0.000 0.263 218 P C 1.079 178.426 177.300 0.079 0.000 1.175 218 P CA 1.954 65.065 63.100 0.019 0.000 0.761 218 P CB 0.319 32.018 31.700 -0.003 0.000 0.794 219 G N 2.123 110.955 108.800 0.052 0.000 2.189 219 G HA2 -0.349 3.611 3.960 0.000 0.000 0.267 219 G HA3 -0.349 3.611 3.960 0.000 0.000 0.267 219 G C 0.289 175.266 174.900 0.127 0.000 0.975 219 G CA 0.213 45.363 45.100 0.082 0.000 0.644 219 G HN 0.576 nan 8.290 nan 0.000 0.537 220 M N 2.973 122.626 119.600 0.088 0.000 2.383 220 M HA 0.395 4.875 4.480 0.000 0.000 0.337 220 M C 1.139 177.403 176.300 -0.059 0.000 1.422 220 M CA 0.421 55.721 55.300 -0.000 0.000 1.333 220 M CB 0.255 32.761 32.600 -0.158 0.000 1.488 220 M HN 0.410 nan 8.290 nan 0.000 0.454 221 T N 1.597 116.149 114.554 -0.004 0.000 2.899 221 T HA 0.282 4.632 4.350 0.000 0.000 0.284 221 T C 1.346 176.051 174.700 0.008 0.000 1.004 221 T CA -0.769 61.330 62.100 -0.002 0.000 1.043 221 T CB 1.044 69.944 68.868 0.053 0.000 1.013 221 T HN 0.772 nan 8.240 nan 0.000 0.518 222 M N 0.906 120.511 119.600 0.008 0.000 2.089 222 M HA -0.167 4.313 4.480 0.000 0.000 0.257 222 M C 1.927 178.565 176.300 0.563 0.000 1.071 222 M CA 2.026 57.398 55.300 0.120 0.000 1.096 222 M CB -0.962 31.744 32.600 0.176 0.000 1.330 222 M HN 0.790 nan 8.290 nan 0.000 0.403 223 H N -0.441 118.830 119.070 0.335 0.000 2.566 223 H HA 0.009 4.565 4.556 0.000 0.000 0.277 223 H C 0.808 176.262 175.328 0.209 0.000 1.046 223 H CA 0.290 56.566 56.048 0.380 0.000 1.172 223 H CB 0.022 29.938 29.762 0.256 0.000 1.319 223 H HN 0.343 nan 8.280 nan 0.000 0.621 224 K N 0.737 121.284 120.400 0.246 0.000 2.506 224 K HA 0.184 4.505 4.320 0.000 0.000 0.204 224 K C -0.736 175.866 176.600 0.003 0.000 1.045 224 K CA -0.111 56.204 56.287 0.048 0.000 1.074 224 K CB 1.476 34.004 32.500 0.046 0.000 0.842 224 K HN -0.059 nan 8.250 nan 0.000 0.514 225 V N 3.155 123.169 119.914 0.167 0.000 2.617 225 V HA 0.261 4.381 4.120 0.000 0.000 0.298 225 V C -2.154 174.180 176.094 0.399 0.000 1.048 225 V CA -2.240 60.125 62.300 0.109 0.000 0.964 225 V CB 1.382 33.127 31.823 -0.131 0.000 1.004 225 V HN 0.144 nan 8.190 nan 0.000 0.466 226 P HA 0.005 nan 4.420 nan 0.000 0.264 226 P C 0.999 178.730 177.300 0.719 0.000 1.179 226 P CA 0.329 63.751 63.100 0.536 0.000 0.763 226 P CB 0.800 32.946 31.700 0.743 0.000 0.806 227 L N 2.112 123.803 121.223 0.780 0.000 1.994 227 L HA -0.207 4.133 4.340 0.000 0.000 0.208 227 L C 2.385 179.552 176.870 0.495 0.000 1.071 227 L CA 1.628 56.821 54.840 0.588 0.000 0.745 227 L CB -0.706 41.627 42.059 0.457 0.000 0.892 227 L HN 0.291 nan 8.230 nan 0.000 0.431 228 F N 0.816 120.924 119.950 0.263 0.000 2.111 228 F HA -0.377 4.150 4.527 0.000 0.000 0.300 228 F C 2.300 178.155 175.800 0.091 0.000 1.088 228 F CA 1.832 59.818 58.000 -0.023 0.000 1.243 228 F CB -0.230 38.540 39.000 -0.383 0.000 0.996 228 F HN 0.067 nan 8.300 nan 0.000 0.483 229 A N -1.491 121.439 122.820 0.183 0.000 1.970 229 A HA -0.088 4.232 4.320 0.000 0.000 0.216 229 A C 2.010 179.693 177.584 0.166 0.000 1.170 229 A CA 0.882 52.968 52.037 0.082 0.000 0.645 229 A CB -1.433 17.702 19.000 0.226 0.000 0.816 229 A HN 0.618 nan 8.150 nan 0.000 0.447 230 W N 0.878 122.316 121.300 0.230 0.000 2.333 230 W HA -0.250 4.411 4.660 0.000 0.000 0.316 230 W C 3.059 179.627 176.519 0.081 0.000 1.215 230 W CA 2.589 60.044 57.345 0.182 0.000 1.278 230 W CB -0.412 29.136 29.460 0.147 0.000 1.154 230 W HN 0.428 nan 8.180 nan 0.000 0.486 231 S N 0.586 116.439 115.700 0.256 0.000 2.404 231 S HA -0.310 4.160 4.470 0.000 0.000 0.230 231 S C 1.827 176.426 174.600 -0.002 0.000 1.046 231 S CA 2.177 60.429 58.200 0.087 0.000 1.135 231 S CB -0.926 62.245 63.200 -0.048 0.000 1.056 231 S HN 0.136 nan 8.310 nan 0.000 0.426 232 I N 0.909 121.334 120.570 -0.242 0.000 2.236 232 I HA -0.148 4.022 4.170 0.000 0.000 0.249 232 I C 2.257 178.384 176.117 0.017 0.000 1.102 232 I CA 1.388 62.574 61.300 -0.190 0.000 1.365 232 I CB -1.676 36.061 38.000 -0.438 0.000 1.051 232 I HN 0.357 nan 8.210 nan 0.000 0.420 233 F N 1.435 121.258 119.950 -0.212 0.000 2.025 233 F HA -0.251 4.277 4.527 0.000 0.000 0.297 233 F C 2.570 178.421 175.800 0.086 0.000 1.132 233 F CA 1.795 59.649 58.000 -0.244 0.000 1.191 233 F CB -0.750 37.848 39.000 -0.671 0.000 0.963 233 F HN -0.160 nan 8.300 nan 0.000 0.481 234 V N -0.354 119.690 119.914 0.218 0.000 2.255 234 V HA -0.375 3.745 4.120 0.000 0.000 0.247 234 V C 2.344 178.510 176.094 0.119 0.000 1.051 234 V CA 2.419 64.824 62.300 0.175 0.000 1.018 234 V CB -1.240 30.707 31.823 0.207 0.000 0.641 234 V HN 0.449 nan 8.190 nan 0.000 0.445 235 T N 0.372 114.989 114.554 0.104 0.000 2.536 235 T HA -0.354 3.996 4.350 0.000 0.000 0.263 235 T C 2.006 176.726 174.700 0.033 0.000 1.115 235 T CA 2.494 64.636 62.100 0.071 0.000 1.180 235 T CB -0.679 68.289 68.868 0.168 0.000 0.864 235 T HN 0.625 nan 8.240 nan 0.000 0.419 236 A N 0.058 122.960 122.820 0.136 0.000 1.917 236 A HA -0.170 4.150 4.320 0.000 0.000 0.219 236 A C 2.070 179.556 177.584 -0.162 0.000 1.182 236 A CA 2.043 54.075 52.037 -0.009 0.000 0.633 236 A CB -1.311 17.701 19.000 0.021 0.000 0.819 236 A HN 0.731 nan 8.150 nan 0.000 0.448 237 W N 0.092 121.283 121.300 -0.182 0.000 2.315 237 W HA -0.211 4.449 4.660 0.000 0.000 0.323 237 W C 2.191 178.712 176.519 0.003 0.000 1.233 237 W CA 1.510 58.772 57.345 -0.138 0.000 1.267 237 W CB -0.712 28.629 29.460 -0.199 0.000 1.160 237 W HN 0.263 nan 8.180 nan 0.000 0.474 238 L N -0.216 121.171 121.223 0.274 0.000 1.957 238 L HA -0.369 3.971 4.340 0.000 0.000 0.228 238 L C 2.338 179.324 176.870 0.193 0.000 1.086 238 L CA 1.759 56.766 54.840 0.278 0.000 0.796 238 L CB -1.614 40.473 42.059 0.046 0.000 0.900 238 L HN 0.009 nan 8.230 nan 0.000 0.439 239 I N -0.579 119.989 120.570 -0.003 0.000 2.203 239 I HA -0.438 3.732 4.170 0.000 0.000 0.237 239 I C 2.664 178.805 176.117 0.041 0.000 0.993 239 I CA 1.830 63.101 61.300 -0.049 0.000 1.277 239 I CB -0.689 37.161 38.000 -0.250 0.000 0.984 239 I HN 0.305 nan 8.210 nan 0.000 0.402 240 L N 0.559 121.789 121.223 0.012 0.000 1.978 240 L HA -0.246 4.095 4.340 0.000 0.000 0.218 240 L C 2.478 179.414 176.870 0.111 0.000 1.075 240 L CA 2.028 56.885 54.840 0.027 0.000 0.767 240 L CB -0.772 41.267 42.059 -0.033 0.000 0.890 240 L HN 0.204 nan 8.230 nan 0.000 0.434 241 L N -1.669 119.664 121.223 0.185 0.000 2.201 241 L HA -0.087 4.253 4.340 0.000 0.000 0.212 241 L C 2.350 179.384 176.870 0.274 0.000 1.105 241 L CA 0.985 55.922 54.840 0.163 0.000 0.775 241 L CB -0.855 41.203 42.059 -0.001 0.000 0.913 241 L HN 0.312 nan 8.230 nan 0.000 0.440 242 A N -0.466 122.575 122.820 0.369 0.000 2.147 242 A HA 0.138 4.458 4.320 0.000 0.000 0.211 242 A C 2.199 179.988 177.584 0.342 0.000 1.160 242 A CA 0.257 52.544 52.037 0.418 0.000 0.781 242 A CB -0.095 19.104 19.000 0.332 0.000 0.842 242 A HN 0.283 nan 8.150 nan 0.000 0.475 243 L N 0.038 121.386 121.223 0.207 0.000 2.127 243 L HA -0.026 4.314 4.340 0.000 0.000 0.203 243 L C -0.501 176.378 176.870 0.016 0.000 1.080 243 L CA 0.994 55.903 54.840 0.116 0.000 0.768 243 L CB -1.628 40.480 42.059 0.082 0.000 0.924 243 L HN 0.210 nan 8.230 nan 0.000 0.444 244 P HA -0.195 nan 4.420 nan 0.000 0.216 244 P C 1.979 179.268 177.300 -0.019 0.000 1.167 244 P CA 1.531 64.643 63.100 0.020 0.000 0.914 244 P CB -0.127 31.595 31.700 0.036 0.000 0.793 245 V N -0.086 119.838 119.914 0.017 0.000 2.324 245 V HA -0.236 3.884 4.120 0.000 0.000 0.250 245 V C 2.712 178.726 176.094 -0.133 0.000 1.060 245 V CA 1.957 64.234 62.300 -0.039 0.000 1.042 245 V CB -1.385 30.460 31.823 0.037 0.000 0.650 245 V HN 0.030 nan 8.190 nan 0.000 0.450 246 L N 0.520 121.615 121.223 -0.214 0.000 2.131 246 L HA -0.058 4.283 4.340 0.000 0.000 0.210 246 L C 2.386 179.040 176.870 -0.360 0.000 1.092 246 L CA 2.151 56.703 54.840 -0.481 0.000 0.759 246 L CB -0.871 40.504 42.059 -1.140 0.000 0.903 246 L HN 0.228 nan 8.230 nan 0.000 0.435 247 A N -0.491 122.210 122.820 -0.199 0.000 1.877 247 A HA -0.063 4.257 4.320 0.000 0.000 0.216 247 A C 2.362 179.929 177.584 -0.027 0.000 1.186 247 A CA 1.545 53.546 52.037 -0.059 0.000 0.620 247 A CB -1.589 17.467 19.000 0.094 0.000 0.822 247 A HN 0.497 nan 8.150 nan 0.000 0.443 248 G N -0.320 108.438 108.800 -0.070 0.000 2.514 248 G HA2 -0.083 3.877 3.960 0.000 0.000 0.217 248 G HA3 -0.083 3.877 3.960 0.000 0.000 0.217 248 G C 1.830 176.657 174.900 -0.122 0.000 1.198 248 G CA 2.059 47.103 45.100 -0.093 0.000 0.780 248 G HN 0.888 nan 8.290 nan 0.000 0.565 249 A N 1.509 124.226 122.820 -0.171 0.000 1.870 249 A HA -0.193 4.127 4.320 0.000 0.000 0.219 249 A C 2.451 180.030 177.584 -0.009 0.000 1.224 249 A CA 2.388 54.340 52.037 -0.143 0.000 0.650 249 A CB -0.693 18.076 19.000 -0.384 0.000 0.836 249 A HN 0.901 nan 8.150 nan 0.000 0.454 250 I N -2.604 117.890 120.570 -0.127 0.000 2.756 250 I HA -0.132 4.038 4.170 0.000 0.000 0.262 250 I C 1.905 177.980 176.117 -0.070 0.000 1.225 250 I CA 2.208 63.434 61.300 -0.124 0.000 1.472 250 I CB -1.160 36.636 38.000 -0.339 0.000 1.094 250 I HN 0.227 nan 8.210 nan 0.000 0.454 251 T N 2.783 117.329 114.554 -0.013 0.000 2.643 251 T HA -0.120 4.230 4.350 0.000 0.000 0.264 251 T C 2.024 176.758 174.700 0.057 0.000 1.045 251 T CA 2.394 64.527 62.100 0.054 0.000 1.155 251 T CB -0.269 68.634 68.868 0.058 0.000 0.863 251 T HN 0.441 nan 8.240 nan 0.000 0.420 252 M N 1.060 120.641 119.600 -0.032 0.000 2.192 252 M HA -0.091 4.390 4.480 0.000 0.000 0.259 252 M C 2.089 178.569 176.300 0.300 0.000 1.071 252 M CA 1.696 56.963 55.300 -0.056 0.000 1.082 252 M CB -1.106 31.206 32.600 -0.481 0.000 1.373 252 M HN 0.204 nan 8.290 nan 0.000 0.408 253 L N -0.307 121.067 121.223 0.251 0.000 2.217 253 L HA -0.114 4.227 4.340 0.000 0.000 0.211 253 L C 2.498 179.428 176.870 0.100 0.000 1.107 253 L CA 0.248 55.186 54.840 0.164 0.000 0.783 253 L CB -0.636 41.409 42.059 -0.025 0.000 0.919 253 L HN 0.275 nan 8.230 nan 0.000 0.442 254 L N 0.254 121.525 121.223 0.081 0.000 2.044 254 L HA -0.122 4.218 4.340 0.000 0.000 0.205 254 L C 2.809 179.777 176.870 0.163 0.000 1.075 254 L CA 2.450 57.328 54.840 0.063 0.000 0.747 254 L CB -0.884 41.170 42.059 -0.009 0.000 0.903 254 L HN 0.391 nan 8.230 nan 0.000 0.435 255 T N -3.757 110.971 114.554 0.290 0.000 2.720 255 T HA -0.191 4.159 4.350 0.000 0.000 0.268 255 T C 1.695 176.562 174.700 0.277 0.000 1.037 255 T CA 1.434 63.799 62.100 0.441 0.000 1.144 255 T CB -0.660 68.464 68.868 0.427 0.000 0.864 255 T HN 0.256 nan 8.240 nan 0.000 0.444 256 D N 1.310 121.849 120.400 0.233 0.000 2.144 256 D HA -0.017 4.624 4.640 0.000 0.000 0.199 256 D C 2.447 178.792 176.300 0.074 0.000 0.984 256 D CA 0.984 55.068 54.000 0.140 0.000 0.834 256 D CB -0.219 40.685 40.800 0.173 0.000 0.955 256 D HN 0.486 nan 8.370 nan 0.000 0.465 257 R N -0.236 120.300 120.500 0.059 0.000 2.173 257 R HA 0.166 4.506 4.340 0.000 0.000 0.208 257 R C 1.498 177.741 176.300 -0.096 0.000 1.035 257 R CA 0.414 56.511 56.100 -0.005 0.000 1.004 257 R CB 0.266 30.566 30.300 0.001 0.000 0.917 257 R HN 0.109 nan 8.270 nan 0.000 0.462 258 N N -0.750 117.836 118.700 -0.189 0.000 2.294 258 N HA 0.061 4.802 4.740 0.000 0.000 0.186 258 N C -0.221 174.815 175.510 -0.791 0.000 1.107 258 N CA 0.602 53.324 53.050 -0.548 0.000 0.884 258 N CB 0.705 38.750 38.487 -0.738 0.000 1.030 258 N HN 0.076 nan 8.380 nan 0.000 0.482 259 F N 0.219 120.188 119.950 0.032 0.000 2.791 259 F HA 0.353 4.880 4.527 0.000 0.000 0.316 259 F C 1.080 176.872 175.800 -0.014 0.000 1.134 259 F CA -0.790 57.218 58.000 0.012 0.000 1.222 259 F CB 0.327 39.339 39.000 0.020 0.000 1.034 259 F HN -0.174 nan 8.300 nan 0.000 0.516 260 G N 2.554 111.398 108.800 0.073 0.000 2.357 260 G HA2 -0.248 3.712 3.960 0.000 0.000 0.282 260 G HA3 -0.248 3.712 3.960 0.000 0.000 0.282 260 G C 0.391 175.293 174.900 0.003 0.000 0.910 260 G CA 0.765 45.882 45.100 0.028 0.000 1.267 260 G HN 0.497 nan 8.290 nan 0.000 0.476 261 T N -2.884 111.662 114.554 -0.014 0.000 2.892 261 T HA 0.746 5.096 4.350 0.000 0.000 0.280 261 T C 0.710 175.282 174.700 -0.213 0.000 1.004 261 T CA 0.206 62.203 62.100 -0.171 0.000 0.950 261 T CB 2.421 71.140 68.868 -0.248 0.000 1.309 261 T HN 0.774 nan 8.240 nan 0.000 0.592 262 T N -0.003 114.316 114.554 -0.392 0.000 3.697 262 T HA 0.328 4.678 4.350 0.000 0.000 0.260 262 T C 0.164 174.655 174.700 -0.348 0.000 0.998 262 T CA -0.659 61.279 62.100 -0.270 0.000 1.128 262 T CB -1.113 67.651 68.868 -0.172 0.000 1.082 262 T HN 0.440 nan 8.240 nan 0.000 0.541 263 F N 1.128 120.851 119.950 -0.379 0.000 2.043 263 F HA 0.132 4.659 4.527 0.000 0.000 0.297 263 F C 0.964 176.306 175.800 -0.763 0.000 1.121 263 F CA 1.423 58.963 58.000 -0.767 0.000 1.199 263 F CB -0.178 38.013 39.000 -1.348 0.000 0.968 263 F HN 0.450 nan 8.300 nan 0.000 0.478 264 F N -0.098 119.967 119.950 0.192 0.000 2.893 264 F HA 0.410 4.937 4.527 0.000 0.000 0.340 264 F C -0.307 175.520 175.800 0.045 0.000 1.300 264 F CA -0.586 57.473 58.000 0.097 0.000 1.227 264 F CB -0.276 38.759 39.000 0.059 0.000 1.044 264 F HN -0.174 nan 8.300 nan 0.000 0.512 265 Q N 0.595 120.461 119.800 0.111 0.000 3.021 265 Q HA 0.247 4.587 4.340 0.000 0.000 0.234 265 Q C -2.249 173.770 176.000 0.031 0.000 0.930 265 Q CA -1.619 54.223 55.803 0.065 0.000 0.714 265 Q CB 1.882 30.636 28.738 0.026 0.000 1.325 265 Q HN 0.097 nan 8.270 nan 0.000 0.473 266 P HA -0.264 nan 4.420 nan 0.000 0.218 266 P C 1.390 178.700 177.300 0.016 0.000 1.147 266 P CA 1.856 64.978 63.100 0.035 0.000 0.827 266 P CB 0.230 31.956 31.700 0.044 0.000 0.778 267 S N -1.915 113.792 115.700 0.011 0.000 2.493 267 S HA -0.047 4.423 4.470 0.000 0.000 0.243 267 S C 1.656 176.247 174.600 -0.014 0.000 0.991 267 S CA 1.219 59.419 58.200 0.000 0.000 0.957 267 S CB -1.173 62.028 63.200 0.000 0.000 0.756 267 S HN 0.269 nan 8.310 nan 0.000 0.521 268 G N -1.033 107.752 108.800 -0.025 0.000 4.238 268 G HA2 0.514 4.474 3.960 0.000 0.000 0.292 268 G HA3 0.514 4.474 3.960 0.000 0.000 0.292 268 G C 0.769 175.638 174.900 -0.051 0.000 1.036 268 G CA -0.049 45.023 45.100 -0.048 0.000 0.812 268 G HN 1.209 nan 8.290 nan 0.000 0.489 269 G N -0.655 108.131 108.800 -0.024 0.000 2.179 269 G HA2 -0.040 3.920 3.960 0.000 0.000 0.260 269 G HA3 -0.040 3.920 3.960 0.000 0.000 0.260 269 G C 0.957 175.857 174.900 -0.000 0.000 0.977 269 G CA 0.280 45.373 45.100 -0.012 0.000 0.641 269 G HN 1.252 nan 8.290 nan 0.000 0.533 270 G N -0.591 108.205 108.800 -0.006 0.000 2.699 270 G HA2 0.417 4.377 3.960 0.000 0.000 0.246 270 G HA3 0.417 4.377 3.960 0.000 0.000 0.246 270 G C -0.423 174.533 174.900 0.095 0.000 1.219 270 G CA 0.711 45.821 45.100 0.017 0.000 0.866 270 G HN 0.521 nan 8.290 nan 0.000 0.572 271 D N 0.126 120.638 120.400 0.186 0.000 2.336 271 D HA 0.322 4.962 4.640 0.000 0.000 0.248 271 D C -1.770 174.743 176.300 0.355 0.000 1.326 271 D CA -1.825 52.308 54.000 0.222 0.000 0.973 271 D CB 1.770 42.682 40.800 0.187 0.000 1.255 271 D HN -0.027 nan 8.370 nan 0.000 0.558 272 P HA -0.179 nan 4.420 nan 0.000 0.218 272 P C 1.549 178.856 177.300 0.012 0.000 1.146 272 P CA 0.570 63.739 63.100 0.115 0.000 0.820 272 P CB 0.528 32.241 31.700 0.023 0.000 0.778 273 V N -0.980 118.971 119.914 0.060 0.000 2.379 273 V HA -0.197 3.924 4.120 0.000 0.000 0.245 273 V C 2.370 178.521 176.094 0.094 0.000 1.044 273 V CA 1.274 63.579 62.300 0.008 0.000 1.036 273 V CB -1.088 30.760 31.823 0.041 0.000 0.664 273 V HN 0.032 nan 8.190 nan 0.000 0.453 274 L N -0.220 121.159 121.223 0.260 0.000 1.963 274 L HA -0.286 4.054 4.340 0.000 0.000 0.220 274 L C 2.296 179.270 176.870 0.173 0.000 1.076 274 L CA 2.708 57.751 54.840 0.338 0.000 0.772 274 L CB -1.180 41.079 42.059 0.334 0.000 0.892 274 L HN 0.523 nan 8.230 nan 0.000 0.435 275 Y N 0.276 120.540 120.300 -0.060 0.000 2.062 275 Y HA -0.444 4.106 4.550 0.000 0.000 0.273 275 Y C 2.582 178.283 175.900 -0.330 0.000 1.206 275 Y CA 2.633 60.451 58.100 -0.469 0.000 1.125 275 Y CB -0.491 37.242 38.460 -1.211 0.000 0.951 275 Y HN 0.477 nan 8.280 nan 0.000 0.501 276 Q N -1.223 118.443 119.800 -0.223 0.000 2.061 276 Q HA -0.267 4.073 4.340 0.000 0.000 0.204 276 Q C 2.118 178.049 176.000 -0.116 0.000 0.984 276 Q CA 1.674 57.355 55.803 -0.205 0.000 0.846 276 Q CB -0.531 28.100 28.738 -0.179 0.000 0.902 276 Q HN 0.654 nan 8.270 nan 0.000 0.421 277 H N 0.592 119.663 119.070 0.002 0.000 2.265 277 H HA -0.135 4.421 4.556 0.000 0.000 0.295 277 H C 2.187 177.349 175.328 -0.277 0.000 1.084 277 H CA 1.518 57.571 56.048 0.009 0.000 1.261 277 H CB -0.291 29.502 29.762 0.051 0.000 1.360 277 H HN 0.256 nan 8.280 nan 0.000 0.487 278 I N 0.603 121.064 120.570 -0.182 0.000 2.567 278 I HA -0.222 3.948 4.170 0.000 0.000 0.257 278 I C 2.581 178.462 176.117 -0.393 0.000 1.184 278 I CA 0.653 61.758 61.300 -0.324 0.000 1.451 278 I CB -0.032 37.795 38.000 -0.288 0.000 1.089 278 I HN 0.125 nan 8.210 nan 0.000 0.441 279 L N -0.918 119.946 121.223 -0.598 0.000 2.253 279 L HA -0.028 4.312 4.340 0.000 0.000 0.205 279 L C 1.998 178.558 176.870 -0.516 0.000 1.078 279 L CA 0.860 55.300 54.840 -0.666 0.000 0.805 279 L CB -0.169 41.238 42.059 -1.086 0.000 0.963 279 L HN 0.137 nan 8.230 nan 0.000 0.459 280 W N -1.131 120.050 121.300 -0.198 0.000 2.519 280 W HA -0.128 4.532 4.660 0.000 0.000 0.266 280 W C 2.093 178.602 176.519 -0.017 0.000 1.253 280 W CA 0.401 57.666 57.345 -0.133 0.000 1.274 280 W CB -0.225 29.218 29.460 -0.028 0.000 1.114 280 W HN 0.167 nan 8.180 nan 0.000 0.596 281 F N -0.138 119.724 119.950 -0.146 0.000 2.408 281 F HA -0.165 4.362 4.527 0.000 0.000 0.300 281 F C 1.849 177.679 175.800 0.050 0.000 1.090 281 F CA 1.321 59.214 58.000 -0.178 0.000 1.427 281 F CB -0.320 38.306 39.000 -0.623 0.000 1.070 281 F HN -0.007 nan 8.300 nan 0.000 0.549 282 F N -0.674 119.283 119.950 0.011 0.000 2.694 282 F HA 0.396 4.923 4.527 0.000 0.000 0.292 282 F C 1.931 177.635 175.800 -0.161 0.000 1.121 282 F CA 0.836 58.799 58.000 -0.060 0.000 1.352 282 F CB -0.760 38.177 39.000 -0.105 0.000 1.107 282 F HN -0.203 nan 8.300 nan 0.000 0.597 283 G N -0.799 107.678 108.800 -0.538 0.000 2.848 283 G HA2 -0.128 3.832 3.960 0.000 0.000 0.208 283 G HA3 -0.128 3.832 3.960 0.000 0.000 0.208 283 G C 1.045 175.816 174.900 -0.215 0.000 1.152 283 G CA 0.798 45.460 45.100 -0.729 0.000 0.789 283 G HN 0.526 nan 8.290 nan 0.000 0.531 284 H N 0.905 119.868 119.070 -0.179 0.000 2.355 284 H HA 0.148 4.704 4.556 0.000 0.000 0.312 284 H C -0.142 175.115 175.328 -0.119 0.000 1.051 284 H CA 0.500 56.554 56.048 0.010 0.000 1.389 284 H CB -0.209 29.615 29.762 0.103 0.000 1.455 284 H HN 0.126 nan 8.280 nan 0.000 0.575 285 P HA -0.181 nan 4.420 nan 0.000 0.216 285 P C 1.280 178.308 177.300 -0.452 0.000 1.150 285 P CA 1.797 64.616 63.100 -0.469 0.000 0.843 285 P CB 0.067 31.383 31.700 -0.641 0.000 0.787 286 Q N 0.052 119.488 119.800 -0.608 0.000 2.047 286 Q HA -0.217 4.123 4.340 0.000 0.000 0.211 286 Q C 1.971 177.691 176.000 -0.468 0.000 1.005 286 Q CA 2.670 58.139 55.803 -0.557 0.000 0.866 286 Q CB -1.420 26.938 28.738 -0.633 0.000 0.938 286 Q HN 0.190 nan 8.270 nan 0.000 0.414 287 V N -1.969 117.644 119.914 -0.502 0.000 2.490 287 V HA -0.231 3.889 4.120 0.000 0.000 0.250 287 V C 1.767 177.417 176.094 -0.740 0.000 1.061 287 V CA 1.906 63.857 62.300 -0.581 0.000 1.064 287 V CB -1.261 30.202 31.823 -0.600 0.000 0.670 287 V HN 0.415 nan 8.190 nan 0.000 0.461 288 Y N 0.365 120.438 120.300 -0.378 0.000 2.421 288 Y HA 0.060 4.610 4.550 0.000 0.000 0.292 288 Y C 2.270 178.006 175.900 -0.273 0.000 1.136 288 Y CA 1.572 59.496 58.100 -0.294 0.000 1.255 288 Y CB -0.631 37.684 38.460 -0.241 0.000 0.991 288 Y HN 0.228 nan 8.280 nan 0.000 0.552 289 I N -0.446 119.994 120.570 -0.217 0.000 2.202 289 I HA -0.297 3.873 4.170 0.000 0.000 0.242 289 I C 2.086 178.073 176.117 -0.217 0.000 1.091 289 I CA 1.248 62.422 61.300 -0.210 0.000 1.368 289 I CB -0.410 37.420 38.000 -0.284 0.000 1.058 289 I HN 0.123 nan 8.210 nan 0.000 0.410 290 I N -0.168 120.236 120.570 -0.276 0.000 2.113 290 I HA -0.327 3.843 4.170 0.000 0.000 0.242 290 I C 2.436 178.429 176.117 -0.206 0.000 1.064 290 I CA 1.671 62.828 61.300 -0.239 0.000 1.320 290 I CB -0.487 37.343 38.000 -0.285 0.000 1.028 290 I HN 0.123 nan 8.210 nan 0.000 0.406 291 V N 0.523 120.262 119.914 -0.292 0.000 3.506 291 V HA 0.023 4.144 4.120 0.000 0.000 0.263 291 V C 1.937 177.672 176.094 -0.599 0.000 1.203 291 V CA 0.647 62.718 62.300 -0.383 0.000 1.133 291 V CB 0.136 31.689 31.823 -0.448 0.000 0.802 291 V HN 0.276 nan 8.190 nan 0.000 0.459 292 L N 0.584 121.577 121.223 -0.384 0.000 1.961 292 L HA -0.041 4.299 4.340 0.000 0.000 0.210 292 L C 0.137 176.933 176.870 -0.123 0.000 1.072 292 L CA 2.135 56.805 54.840 -0.284 0.000 0.749 292 L CB -1.780 40.230 42.059 -0.082 0.000 0.889 292 L HN 0.305 nan 8.230 nan 0.000 0.432 293 P HA -0.279 nan 4.420 nan 0.000 0.216 293 P C 1.436 178.769 177.300 0.055 0.000 1.167 293 P CA 2.264 65.349 63.100 -0.023 0.000 0.914 293 P CB -0.153 31.575 31.700 0.045 0.000 0.793 294 A N -0.677 122.150 122.820 0.011 0.000 1.873 294 A HA -0.303 4.017 4.320 0.000 0.000 0.219 294 A C 2.101 179.698 177.584 0.021 0.000 1.269 294 A CA 2.550 54.582 52.037 -0.009 0.000 0.671 294 A CB -1.979 17.046 19.000 0.043 0.000 0.842 294 A HN 0.047 nan 8.150 nan 0.000 0.460 295 F N -0.044 119.878 119.950 -0.046 0.000 2.048 295 F HA -0.271 4.256 4.527 0.000 0.000 0.296 295 F C 2.757 178.646 175.800 0.149 0.000 1.109 295 F CA 0.970 59.039 58.000 0.114 0.000 1.214 295 F CB -1.752 37.398 39.000 0.250 0.000 0.963 295 F HN 0.315 nan 8.300 nan 0.000 0.491 296 G N 0.159 109.152 108.800 0.322 0.000 2.545 296 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 296 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 296 G C 1.920 176.919 174.900 0.164 0.000 1.218 296 G CA 1.261 46.518 45.100 0.262 0.000 0.787 296 G HN 0.370 nan 8.290 nan 0.000 0.571 297 I N 0.241 120.887 120.570 0.126 0.000 2.087 297 I HA -0.270 3.900 4.170 0.000 0.000 0.240 297 I C 2.867 178.794 176.117 -0.317 0.000 1.054 297 I CA 1.270 62.452 61.300 -0.196 0.000 1.311 297 I CB -0.465 37.352 38.000 -0.305 0.000 1.024 297 I HN 0.095 nan 8.210 nan 0.000 0.402 298 V N 0.531 120.214 119.914 -0.384 0.000 2.230 298 V HA -0.458 3.662 4.120 0.000 0.000 0.256 298 V C 2.416 178.328 176.094 -0.303 0.000 1.064 298 V CA 2.538 64.492 62.300 -0.577 0.000 1.050 298 V CB -1.260 29.895 31.823 -1.113 0.000 0.666 298 V HN 0.492 nan 8.190 nan 0.000 0.457 299 S N -1.220 114.555 115.700 0.126 0.000 2.414 299 S HA -0.367 4.103 4.470 0.000 0.000 0.238 299 S C 1.649 176.382 174.600 0.222 0.000 1.055 299 S CA 2.258 60.719 58.200 0.435 0.000 1.174 299 S CB -0.937 62.602 63.200 0.565 0.000 1.087 299 S HN 0.743 nan 8.310 nan 0.000 0.428 300 H N 0.214 119.271 119.070 -0.022 0.000 2.260 300 H HA -0.163 4.393 4.556 0.000 0.000 0.288 300 H C 2.265 177.351 175.328 -0.403 0.000 1.094 300 H CA 1.835 57.780 56.048 -0.171 0.000 1.197 300 H CB -0.675 28.943 29.762 -0.239 0.000 1.346 300 H HN 0.201 nan 8.280 nan 0.000 0.486 301 V N 1.332 120.937 119.914 -0.514 0.000 2.332 301 V HA -0.258 3.862 4.120 0.000 0.000 0.248 301 V C 2.616 178.598 176.094 -0.186 0.000 1.055 301 V CA 1.434 63.415 62.300 -0.532 0.000 1.038 301 V CB -0.464 30.998 31.823 -0.602 0.000 0.651 301 V HN 0.331 nan 8.190 nan 0.000 0.450 302 I N 0.649 121.124 120.570 -0.158 0.000 2.163 302 I HA -0.248 3.922 4.170 0.000 0.000 0.243 302 I C 2.714 178.834 176.117 0.004 0.000 1.085 302 I CA 2.014 63.288 61.300 -0.044 0.000 1.347 302 I CB -1.753 36.252 38.000 0.008 0.000 1.044 302 I HN 0.316 nan 8.210 nan 0.000 0.408 303 A N -0.101 122.721 122.820 0.002 0.000 1.883 303 A HA -0.227 4.093 4.320 0.000 0.000 0.217 303 A C 2.489 180.027 177.584 -0.076 0.000 1.186 303 A CA 2.587 54.622 52.037 -0.002 0.000 0.624 303 A CB -1.102 17.884 19.000 -0.024 0.000 0.822 303 A HN 0.409 nan 8.150 nan 0.000 0.444 304 T N -1.005 113.428 114.554 -0.202 0.000 2.732 304 T HA -0.035 4.315 4.350 0.000 0.000 0.261 304 T C 1.458 175.895 174.700 -0.439 0.000 1.040 304 T CA 1.579 63.454 62.100 -0.374 0.000 1.145 304 T CB -0.374 68.103 68.868 -0.651 0.000 0.866 304 T HN 0.396 nan 8.240 nan 0.000 0.427 305 F N 1.248 121.125 119.950 -0.121 0.000 2.407 305 F HA 0.255 4.782 4.527 0.000 0.000 0.299 305 F C 2.311 178.058 175.800 -0.088 0.000 1.097 305 F CA 0.287 58.223 58.000 -0.107 0.000 1.422 305 F CB -0.395 38.506 39.000 -0.164 0.000 1.067 305 F HN 0.126 nan 8.300 nan 0.000 0.539 306 A N -0.203 122.634 122.820 0.029 0.000 2.251 306 A HA 0.080 4.401 4.320 0.000 0.000 0.209 306 A C 0.908 178.414 177.584 -0.130 0.000 1.187 306 A CA -0.155 51.872 52.037 -0.016 0.000 0.823 306 A CB -0.756 18.255 19.000 0.019 0.000 0.846 306 A HN 0.302 nan 8.150 nan 0.000 0.486 307 K N -0.496 119.774 120.400 -0.217 0.000 3.730 307 K HA -0.199 4.122 4.320 0.000 0.000 0.276 307 K C -0.360 175.797 176.600 -0.739 0.000 0.904 307 K CA 1.431 57.311 56.287 -0.679 0.000 0.741 307 K CB -1.379 30.763 32.500 -0.596 0.000 1.542 307 K HN 0.696 nan 8.250 nan 0.000 0.446 308 K N 0.018 120.253 120.400 -0.275 0.000 2.592 308 K HA 0.219 4.539 4.320 0.000 0.000 0.259 308 K C -3.002 173.628 176.600 0.050 0.000 0.937 308 K CA -1.818 54.424 56.287 -0.075 0.000 0.874 308 K CB 1.463 33.936 32.500 -0.046 0.000 1.339 308 K HN -0.266 nan 8.250 nan 0.000 0.425 309 P HA -0.049 nan 4.420 nan 0.000 0.258 309 P C -0.162 177.199 177.300 0.101 0.000 1.172 309 P CA -0.031 63.115 63.100 0.078 0.000 0.762 309 P CB 0.143 31.871 31.700 0.047 0.000 0.764 310 I N 5.285 125.928 120.570 0.122 0.000 2.872 310 I HA -0.086 4.084 4.170 0.000 0.000 0.287 310 I C 0.344 176.568 176.117 0.177 0.000 1.197 310 I CA 0.162 61.569 61.300 0.179 0.000 1.390 310 I CB -0.591 37.526 38.000 0.196 0.000 1.400 310 I HN 0.160 nan 8.210 nan 0.000 0.544 311 F N 7.975 127.964 119.950 0.065 0.000 2.629 311 F HA 0.251 4.779 4.527 0.000 0.000 0.369 311 F C 1.477 177.281 175.800 0.006 0.000 1.125 311 F CA 0.747 58.770 58.000 0.038 0.000 1.330 311 F CB 0.286 39.308 39.000 0.037 0.000 1.071 311 F HN 0.770 nan 8.300 nan 0.000 0.595 312 G N 5.445 114.102 108.800 -0.239 0.000 2.356 312 G HA2 -0.412 3.548 3.960 0.000 0.000 0.296 312 G HA3 -0.412 3.548 3.960 0.000 0.000 0.296 312 G C 0.604 175.504 174.900 -0.000 0.000 1.022 312 G CA 0.740 45.827 45.100 -0.021 0.000 0.961 312 G HN 1.108 nan 8.290 nan 0.000 0.510 313 Y N -0.103 120.118 120.300 -0.132 0.000 1.967 313 Y HA -0.276 4.274 4.550 0.000 0.000 0.260 313 Y C 2.568 178.317 175.900 -0.252 0.000 1.181 313 Y CA 2.723 60.734 58.100 -0.148 0.000 1.097 313 Y CB -0.574 37.812 38.460 -0.124 0.000 0.934 313 Y HN 0.343 nan 8.280 nan 0.000 0.492 314 L N 0.608 121.730 121.223 -0.169 0.000 1.963 314 L HA -0.215 4.125 4.340 0.000 0.000 0.220 314 L C -0.551 176.004 176.870 -0.526 0.000 1.076 314 L CA 2.808 57.329 54.840 -0.531 0.000 0.772 314 L CB -1.915 39.962 42.059 -0.304 0.000 0.892 314 L HN 0.193 nan 8.230 nan 0.000 0.435 315 P HA -0.236 nan 4.420 nan 0.000 0.218 315 P C 1.990 179.129 177.300 -0.269 0.000 1.154 315 P CA 1.900 64.901 63.100 -0.165 0.000 0.872 315 P CB -0.188 31.478 31.700 -0.057 0.000 0.790 316 M N -1.610 117.786 119.600 -0.341 0.000 2.086 316 M HA -0.117 4.364 4.480 0.000 0.000 0.261 316 M C 2.082 178.103 176.300 -0.465 0.000 1.067 316 M CA 1.693 56.757 55.300 -0.393 0.000 1.116 316 M CB -1.608 30.765 32.600 -0.378 0.000 1.348 316 M HN -0.150 nan 8.290 nan 0.000 0.407 317 V N -0.067 119.391 119.914 -0.760 0.000 2.233 317 V HA -0.285 3.835 4.120 0.000 0.000 0.247 317 V C 2.371 178.104 176.094 -0.601 0.000 1.050 317 V CA 1.925 63.673 62.300 -0.921 0.000 1.010 317 V CB -1.032 29.757 31.823 -1.723 0.000 0.637 317 V HN 0.252 nan 8.190 nan 0.000 0.444 318 Y N 0.780 120.817 120.300 -0.438 0.000 2.193 318 Y HA -0.224 4.327 4.550 0.000 0.000 0.285 318 Y C 2.530 178.321 175.900 -0.182 0.000 1.166 318 Y CA 0.754 58.697 58.100 -0.262 0.000 1.181 318 Y CB -1.572 36.773 38.460 -0.193 0.000 0.976 318 Y HN 0.217 nan 8.280 nan 0.000 0.520 319 A N 0.366 123.153 122.820 -0.056 0.000 1.884 319 A HA -0.288 4.032 4.320 0.000 0.000 0.219 319 A C 2.375 179.951 177.584 -0.014 0.000 1.197 319 A CA 2.454 54.456 52.037 -0.058 0.000 0.637 319 A CB -0.902 18.015 19.000 -0.138 0.000 0.827 319 A HN 0.445 nan 8.150 nan 0.000 0.450 320 M N -0.782 118.802 119.600 -0.027 0.000 2.108 320 M HA -0.148 4.332 4.480 0.000 0.000 0.261 320 M C 2.139 178.482 176.300 0.071 0.000 1.066 320 M CA 1.577 56.911 55.300 0.057 0.000 1.107 320 M CB -0.770 31.866 32.600 0.061 0.000 1.356 320 M HN 0.264 nan 8.290 nan 0.000 0.406 321 V N 0.657 120.612 119.914 0.070 0.000 2.427 321 V HA -0.215 3.905 4.120 0.000 0.000 0.248 321 V C 2.774 178.887 176.094 0.031 0.000 1.051 321 V CA 1.795 64.142 62.300 0.079 0.000 1.048 321 V CB -1.257 30.635 31.823 0.114 0.000 0.666 321 V HN 0.511 nan 8.190 nan 0.000 0.456 322 A N 0.226 123.054 122.820 0.014 0.000 1.903 322 A HA -0.253 4.067 4.320 0.000 0.000 0.219 322 A C 2.190 179.752 177.584 -0.037 0.000 1.191 322 A CA 2.297 54.327 52.037 -0.013 0.000 0.638 322 A CB -0.592 18.399 19.000 -0.015 0.000 0.823 322 A HN 0.496 nan 8.150 nan 0.000 0.451 323 I N -0.649 119.893 120.570 -0.047 0.000 2.076 323 I HA -0.263 3.907 4.170 0.000 0.000 0.237 323 I C 2.822 178.807 176.117 -0.220 0.000 1.059 323 I CA 1.431 62.630 61.300 -0.167 0.000 1.317 323 I CB -1.060 36.879 38.000 -0.101 0.000 1.037 323 I HN 0.429 nan 8.210 nan 0.000 0.398 324 G N 0.498 109.238 108.800 -0.099 0.000 2.505 324 G HA2 -0.241 3.719 3.960 0.000 0.000 0.220 324 G HA3 -0.241 3.719 3.960 0.000 0.000 0.220 324 G C 1.690 176.625 174.900 0.059 0.000 1.145 324 G CA 1.227 46.307 45.100 -0.033 0.000 0.761 324 G HN 0.255 nan 8.290 nan 0.000 0.571 325 V N 1.091 121.054 119.914 0.080 0.000 2.229 325 V HA -0.120 4.000 4.120 0.000 0.000 0.243 325 V C 2.925 179.105 176.094 0.144 0.000 1.042 325 V CA 1.657 64.054 62.300 0.161 0.000 1.000 325 V CB -0.619 31.245 31.823 0.070 0.000 0.637 325 V HN 0.370 nan 8.190 nan 0.000 0.446 326 L N 0.531 121.776 121.223 0.036 0.000 2.064 326 L HA -0.242 4.098 4.340 0.000 0.000 0.216 326 L C 2.627 179.526 176.870 0.048 0.000 1.077 326 L CA 2.015 56.873 54.840 0.029 0.000 0.766 326 L CB -1.671 40.371 42.059 -0.029 0.000 0.890 326 L HN 0.562 nan 8.230 nan 0.000 0.435 327 G N -0.438 108.333 108.800 -0.049 0.000 2.581 327 G HA2 -0.297 3.663 3.960 0.000 0.000 0.223 327 G HA3 -0.297 3.663 3.960 0.000 0.000 0.223 327 G C 1.252 176.084 174.900 -0.113 0.000 1.094 327 G CA 0.832 45.919 45.100 -0.021 0.000 0.736 327 G HN 0.290 nan 8.290 nan 0.000 0.588 328 F N -0.294 119.690 119.950 0.057 0.000 2.619 328 F HA 0.167 4.694 4.527 0.000 0.000 0.293 328 F C 1.867 177.768 175.800 0.168 0.000 1.119 328 F CA 0.393 58.349 58.000 -0.074 0.000 1.445 328 F CB 0.489 39.445 39.000 -0.074 0.000 1.119 328 F HN 0.077 nan 8.300 nan 0.000 0.573 329 V N -1.278 118.845 119.914 0.347 0.000 2.852 329 V HA 0.356 4.476 4.120 0.000 0.000 0.359 329 V C 0.185 176.369 176.094 0.150 0.000 1.244 329 V CA 0.152 62.659 62.300 0.345 0.000 1.371 329 V CB -0.529 31.459 31.823 0.276 0.000 1.491 329 V HN 0.065 nan 8.190 nan 0.000 0.603 330 V N -3.950 116.048 119.914 0.140 0.000 3.509 330 V HA 0.223 4.343 4.120 0.000 0.000 0.286 330 V C 1.382 177.385 176.094 -0.151 0.000 1.618 330 V CA 0.210 62.521 62.300 0.018 0.000 1.088 330 V CB -0.853 30.950 31.823 -0.033 0.000 0.909 330 V HN 0.782 nan 8.190 nan 0.000 0.429 331 W N 2.264 123.579 121.300 0.026 0.000 2.560 331 W HA 0.241 4.901 4.660 0.000 0.000 0.252 331 W C 1.489 177.740 176.519 -0.447 0.000 1.242 331 W CA 1.122 58.356 57.345 -0.185 0.000 1.242 331 W CB -0.562 28.984 29.460 0.143 0.000 1.136 331 W HN 0.273 nan 8.180 nan 0.000 0.625 332 A N 1.690 123.458 122.820 -1.754 0.000 2.259 332 A HA -0.073 4.247 4.320 0.000 0.000 0.208 332 A C 1.912 178.799 177.584 -1.163 0.000 1.201 332 A CA 0.877 51.957 52.037 -1.596 0.000 0.824 332 A CB -1.554 15.862 19.000 -2.640 0.000 0.838 332 A HN 0.763 nan 8.150 nan 0.000 0.485 333 H N -1.766 116.777 119.070 -0.879 0.000 2.421 333 H HA -0.089 4.467 4.556 0.000 0.000 0.298 333 H C 0.456 175.069 175.328 -1.192 0.000 1.087 333 H CA 1.273 56.644 56.048 -1.129 0.000 1.330 333 H CB -0.555 28.839 29.762 -0.615 0.000 1.388 333 H HN 0.661 nan 8.280 nan 0.000 0.526 334 H N 0.155 118.667 119.070 -0.931 0.000 2.749 334 H HA 0.213 4.769 4.556 0.000 0.000 0.306 334 H C 0.401 175.246 175.328 -0.804 0.000 1.091 334 H CA 0.297 55.724 56.048 -1.035 0.000 1.180 334 H CB 0.090 28.501 29.762 -2.251 0.000 1.349 334 H HN 0.474 nan 8.280 nan 0.000 0.570 335 M N -1.626 117.597 119.600 -0.629 0.000 2.439 335 M HA 0.017 4.497 4.480 0.000 0.000 0.435 335 M C 0.381 176.448 176.300 -0.389 0.000 1.072 335 M CA -0.104 54.931 55.300 -0.443 0.000 0.953 335 M CB 0.577 32.931 32.600 -0.410 0.000 1.896 335 M HN 0.008 nan 8.290 nan 0.000 0.632 336 Y N 0.831 120.954 120.300 -0.295 0.000 2.365 336 Y HA -0.195 4.355 4.550 0.000 0.000 0.287 336 Y C 2.618 178.407 175.900 -0.185 0.000 1.162 336 Y CA 2.034 60.007 58.100 -0.212 0.000 1.260 336 Y CB -0.958 37.398 38.460 -0.172 0.000 0.976 336 Y HN 0.381 nan 8.280 nan 0.000 0.548 337 T N -5.026 109.460 114.554 -0.114 0.000 3.044 337 T HA 0.455 4.805 4.350 0.000 0.000 0.260 337 T C 1.601 176.250 174.700 -0.085 0.000 1.019 337 T CA 0.282 62.326 62.100 -0.093 0.000 0.921 337 T CB -0.038 68.757 68.868 -0.121 0.000 1.053 337 T HN 0.169 nan 8.240 nan 0.000 0.533 338 A N 1.334 124.081 122.820 -0.121 0.000 2.252 338 A HA 0.616 4.936 4.320 0.000 0.000 0.207 338 A C 1.471 179.028 177.584 -0.045 0.000 1.194 338 A CA 0.165 52.153 52.037 -0.081 0.000 0.809 338 A CB -1.056 17.870 19.000 -0.124 0.000 0.814 338 A HN 1.481 nan 8.150 nan 0.000 0.482 339 G N -0.620 108.165 108.800 -0.025 0.000 2.943 339 G HA2 -0.029 3.931 3.960 0.000 0.000 0.250 339 G HA3 -0.029 3.931 3.960 0.000 0.000 0.250 339 G C -0.685 174.234 174.900 0.030 0.000 0.996 339 G CA -0.246 44.860 45.100 0.010 0.000 1.248 339 G HN 0.433 nan 8.290 nan 0.000 0.589 340 L N 0.715 121.962 121.223 0.039 0.000 2.333 340 L HA 0.815 5.155 4.340 0.000 0.000 0.263 340 L C 1.144 178.063 176.870 0.082 0.000 1.014 340 L CA -0.930 53.954 54.840 0.073 0.000 0.820 340 L CB 2.088 44.188 42.059 0.068 0.000 1.352 340 L HN 0.655 nan 8.230 nan 0.000 0.421 341 S N 0.548 116.311 115.700 0.104 0.000 2.576 341 S HA 0.104 4.574 4.470 0.000 0.000 0.276 341 S C 0.821 175.479 174.600 0.096 0.000 1.339 341 S CA -0.473 57.781 58.200 0.090 0.000 1.039 341 S CB 0.949 64.205 63.200 0.094 0.000 0.902 341 S HN 0.589 nan 8.310 nan 0.000 0.516 342 L N 3.731 124.996 121.223 0.069 0.000 2.012 342 L HA -0.066 4.274 4.340 0.000 0.000 0.210 342 L C 2.917 179.835 176.870 0.079 0.000 1.073 342 L CA 2.851 57.727 54.840 0.060 0.000 0.748 342 L CB -1.524 40.555 42.059 0.034 0.000 0.891 342 L HN 1.121 nan 8.230 nan 0.000 0.431 343 T N -2.560 112.039 114.554 0.076 0.000 2.699 343 T HA -0.315 4.035 4.350 0.000 0.000 0.268 343 T C 1.745 176.531 174.700 0.144 0.000 1.036 343 T CA 1.984 64.135 62.100 0.085 0.000 1.147 343 T CB -0.593 68.313 68.868 0.063 0.000 0.862 343 T HN 0.636 nan 8.240 nan 0.000 0.446 344 Q N 0.884 120.794 119.800 0.183 0.000 1.993 344 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 344 Q C 2.860 179.089 176.000 0.383 0.000 0.984 344 Q CA 1.857 57.852 55.803 0.320 0.000 0.837 344 Q CB -0.325 28.596 28.738 0.304 0.000 0.902 344 Q HN 0.700 nan 8.270 nan 0.000 0.423 345 Q N 0.437 120.396 119.800 0.265 0.000 2.062 345 Q HA -0.220 4.120 4.340 0.000 0.000 0.209 345 Q C 2.369 178.506 176.000 0.227 0.000 0.996 345 Q CA 1.691 57.667 55.803 0.288 0.000 0.859 345 Q CB -0.370 28.475 28.738 0.179 0.000 0.920 345 Q HN 0.234 nan 8.270 nan 0.000 0.415 346 S N 0.368 116.144 115.700 0.127 0.000 2.359 346 S HA -0.212 4.258 4.470 0.000 0.000 0.223 346 S C 1.680 176.295 174.600 0.026 0.000 1.039 346 S CA 1.603 59.837 58.200 0.057 0.000 1.042 346 S CB -0.559 62.666 63.200 0.042 0.000 0.915 346 S HN 0.473 nan 8.310 nan 0.000 0.439 347 Y N 1.537 121.824 120.300 -0.022 0.000 2.053 347 Y HA -0.222 4.328 4.550 0.000 0.000 0.277 347 Y C 1.827 177.573 175.900 -0.257 0.000 1.159 347 Y CA 1.598 59.592 58.100 -0.176 0.000 1.125 347 Y CB -0.903 37.360 38.460 -0.329 0.000 0.969 347 Y HN 0.228 nan 8.280 nan 0.000 0.492 348 F N 0.052 119.720 119.950 -0.470 0.000 2.269 348 F HA -0.219 4.308 4.527 0.000 0.000 0.301 348 F C 2.695 178.342 175.800 -0.254 0.000 1.082 348 F CA 1.701 59.381 58.000 -0.533 0.000 1.360 348 F CB -0.508 38.339 39.000 -0.255 0.000 1.041 348 F HN 0.238 nan 8.300 nan 0.000 0.512 349 M N -0.818 118.824 119.600 0.070 0.000 2.193 349 M HA -0.153 4.327 4.480 0.000 0.000 0.265 349 M C 2.046 178.284 176.300 -0.104 0.000 1.071 349 M CA 1.581 56.907 55.300 0.042 0.000 1.140 349 M CB -0.072 32.504 32.600 -0.040 0.000 1.369 349 M HN 0.159 nan 8.290 nan 0.000 0.423 350 M N 0.462 119.959 119.600 -0.171 0.000 2.066 350 M HA -0.127 4.353 4.480 0.000 0.000 0.259 350 M C 2.432 178.607 176.300 -0.209 0.000 1.074 350 M CA 2.071 57.272 55.300 -0.165 0.000 1.114 350 M CB -0.661 31.866 32.600 -0.123 0.000 1.306 350 M HN 0.493 nan 8.290 nan 0.000 0.411 351 A N -0.353 122.240 122.820 -0.378 0.000 1.948 351 A HA -0.189 4.132 4.320 0.000 0.000 0.220 351 A C 2.128 179.586 177.584 -0.211 0.000 1.177 351 A CA 2.393 54.235 52.037 -0.325 0.000 0.636 351 A CB -1.322 17.374 19.000 -0.507 0.000 0.815 351 A HN 0.549 nan 8.150 nan 0.000 0.449 352 T N -0.168 114.270 114.554 -0.194 0.000 2.915 352 T HA -0.077 4.273 4.350 0.000 0.000 0.269 352 T C 1.786 176.426 174.700 -0.099 0.000 1.071 352 T CA 1.467 63.505 62.100 -0.103 0.000 1.132 352 T CB -0.277 68.531 68.868 -0.099 0.000 0.878 352 T HN 0.472 nan 8.240 nan 0.000 0.479 353 M N 0.419 119.960 119.600 -0.098 0.000 2.296 353 M HA -0.045 4.435 4.480 0.000 0.000 0.265 353 M C 2.189 178.460 176.300 -0.049 0.000 1.064 353 M CA 0.952 56.210 55.300 -0.070 0.000 1.109 353 M CB -0.295 32.264 32.600 -0.069 0.000 1.396 353 M HN 0.115 nan 8.290 nan 0.000 0.430 354 V N 0.412 120.293 119.914 -0.055 0.000 2.548 354 V HA -0.211 3.909 4.120 0.000 0.000 0.249 354 V C 2.113 178.194 176.094 -0.022 0.000 1.055 354 V CA 1.231 63.509 62.300 -0.037 0.000 1.065 354 V CB -0.437 31.361 31.823 -0.040 0.000 0.681 354 V HN 0.438 nan 8.190 nan 0.000 0.462 355 I N 0.643 121.203 120.570 -0.016 0.000 2.381 355 I HA -0.364 3.806 4.170 0.000 0.000 0.255 355 I C 2.626 178.763 176.117 0.033 0.000 1.140 355 I CA 1.396 62.699 61.300 0.005 0.000 1.404 355 I CB -0.562 37.458 38.000 0.034 0.000 1.075 355 I HN 0.357 nan 8.210 nan 0.000 0.433 356 A N 0.602 123.438 122.820 0.026 0.000 1.884 356 A HA -0.254 4.067 4.320 0.000 0.000 0.219 356 A C 2.416 180.000 177.584 0.001 0.000 1.197 356 A CA 2.403 54.453 52.037 0.021 0.000 0.637 356 A CB -1.196 17.807 19.000 0.005 0.000 0.827 356 A HN 0.242 nan 8.150 nan 0.000 0.450 357 V N 0.634 120.546 119.914 -0.003 0.000 2.222 357 V HA -0.274 3.846 4.120 0.000 0.000 0.252 357 V C 0.139 176.218 176.094 -0.025 0.000 1.060 357 V CA 2.990 65.286 62.300 -0.007 0.000 1.027 357 V CB -1.646 30.175 31.823 -0.004 0.000 0.644 357 V HN 0.429 nan 8.190 nan 0.000 0.448 358 P HA -0.100 nan 4.420 nan 0.000 0.215 358 P C 1.839 179.109 177.300 -0.049 0.000 1.157 358 P CA 1.870 64.949 63.100 -0.034 0.000 0.868 358 P CB -0.231 31.459 31.700 -0.016 0.000 0.788 359 T N -1.107 113.456 114.554 0.015 0.000 2.821 359 T HA -0.080 4.270 4.350 0.000 0.000 0.267 359 T C 2.026 176.640 174.700 -0.144 0.000 1.046 359 T CA 1.694 63.797 62.100 0.005 0.000 1.139 359 T CB -1.313 67.711 68.868 0.259 0.000 0.871 359 T HN 0.179 nan 8.240 nan 0.000 0.454 360 G N 1.373 110.062 108.800 -0.185 0.000 2.442 360 G HA2 -0.174 3.786 3.960 0.000 0.000 0.219 360 G HA3 -0.174 3.786 3.960 0.000 0.000 0.219 360 G C 1.511 176.061 174.900 -0.584 0.000 1.141 360 G CA 0.582 45.401 45.100 -0.468 0.000 0.763 360 G HN 0.485 nan 8.290 nan 0.000 0.554 361 I N 0.505 120.917 120.570 -0.263 0.000 2.163 361 I HA -0.210 3.960 4.170 0.000 0.000 0.243 361 I C 2.815 178.750 176.117 -0.304 0.000 1.085 361 I CA 1.466 62.671 61.300 -0.160 0.000 1.347 361 I CB -0.112 37.830 38.000 -0.097 0.000 1.044 361 I HN 0.121 nan 8.210 nan 0.000 0.408 362 K N 0.191 120.324 120.400 -0.446 0.000 2.097 362 K HA -0.152 4.168 4.320 0.000 0.000 0.206 362 K C 2.120 178.269 176.600 -0.752 0.000 1.049 362 K CA 1.158 56.954 56.287 -0.820 0.000 0.933 362 K CB -0.106 31.727 32.500 -1.111 0.000 0.717 362 K HN 0.220 nan 8.250 nan 0.000 0.442 363 I N 0.636 120.988 120.570 -0.364 0.000 2.179 363 I HA -0.236 3.935 4.170 0.000 0.000 0.242 363 I C 2.130 178.254 176.117 0.012 0.000 1.088 363 I CA 1.504 62.788 61.300 -0.026 0.000 1.357 363 I CB -0.820 37.105 38.000 -0.125 0.000 1.051 363 I HN 0.004 nan 8.210 nan 0.000 0.409 364 F N 1.501 121.412 119.950 -0.064 0.000 2.026 364 F HA -0.191 4.336 4.527 0.000 0.000 0.296 364 F C 2.921 178.609 175.800 -0.187 0.000 1.133 364 F CA 1.327 59.252 58.000 -0.124 0.000 1.188 364 F CB -1.635 37.263 39.000 -0.169 0.000 0.968 364 F HN 0.028 nan 8.300 nan 0.000 0.476 365 S N -0.395 115.261 115.700 -0.074 0.000 2.378 365 S HA -0.271 4.199 4.470 0.000 0.000 0.229 365 S C 1.911 176.502 174.600 -0.015 0.000 1.052 365 S CA 1.605 59.702 58.200 -0.173 0.000 1.084 365 S CB -0.778 62.301 63.200 -0.202 0.000 0.950 365 S HN 0.358 nan 8.310 nan 0.000 0.440 366 W N 1.400 122.701 121.300 0.002 0.000 2.301 366 W HA -0.092 4.568 4.660 0.000 0.000 0.325 366 W C 2.330 178.881 176.519 0.053 0.000 1.250 366 W CA 0.223 57.583 57.345 0.025 0.000 1.261 366 W CB -1.447 28.015 29.460 0.003 0.000 1.157 366 W HN 0.261 nan 8.180 nan 0.000 0.473 367 I N 0.268 121.023 120.570 0.308 0.000 2.143 367 I HA -0.400 3.770 4.170 0.000 0.000 0.245 367 I C 2.413 178.643 176.117 0.189 0.000 1.068 367 I CA 2.216 63.653 61.300 0.228 0.000 1.326 367 I CB -0.649 37.466 38.000 0.192 0.000 1.028 367 I HN -0.090 nan 8.210 nan 0.000 0.412 368 A N -0.973 121.863 122.820 0.027 0.000 2.066 368 A HA -0.152 4.169 4.320 0.000 0.000 0.218 368 A C 2.246 179.919 177.584 0.148 0.000 1.157 368 A CA 1.934 53.920 52.037 -0.085 0.000 0.670 368 A CB -0.742 17.840 19.000 -0.695 0.000 0.804 368 A HN 0.400 nan 8.150 nan 0.000 0.453 369 T N 0.066 114.746 114.554 0.209 0.000 2.701 369 T HA -0.149 4.201 4.350 0.000 0.000 0.263 369 T C 1.951 176.786 174.700 0.226 0.000 1.040 369 T CA 1.850 64.112 62.100 0.271 0.000 1.147 369 T CB -0.308 68.729 68.868 0.282 0.000 0.865 369 T HN 0.474 nan 8.240 nan 0.000 0.426 370 M N -0.324 119.405 119.600 0.214 0.000 2.082 370 M HA -0.089 4.391 4.480 0.000 0.000 0.258 370 M C 1.034 177.446 176.300 0.188 0.000 1.069 370 M CA 1.020 56.419 55.300 0.165 0.000 1.102 370 M CB -0.299 32.392 32.600 0.150 0.000 1.336 370 M HN 0.340 nan 8.290 nan 0.000 0.404 371 W N 1.701 123.022 121.300 0.036 0.000 2.443 371 W HA 0.065 4.725 4.660 0.000 0.000 0.335 371 W C 0.928 177.470 176.519 0.038 0.000 1.382 371 W CA 1.601 58.961 57.345 0.024 0.000 1.305 371 W CB 0.017 29.479 29.460 0.003 0.000 1.283 371 W HN 0.615 nan 8.180 nan 0.000 0.567 372 G N 3.632 112.362 108.800 -0.116 0.000 2.148 372 G HA2 -0.203 3.757 3.960 0.000 0.000 0.254 372 G HA3 -0.203 3.757 3.960 0.000 0.000 0.254 372 G C 0.075 174.962 174.900 -0.023 0.000 0.981 372 G CA 0.017 45.082 45.100 -0.058 0.000 0.670 372 G HN 0.970 nan 8.290 nan 0.000 0.528 373 G N -0.749 108.033 108.800 -0.031 0.000 2.600 373 G HA2 0.805 4.765 3.960 0.000 0.000 0.303 373 G HA3 0.805 4.765 3.960 0.000 0.000 0.303 373 G C 0.098 174.957 174.900 -0.068 0.000 1.253 373 G CA 0.501 45.572 45.100 -0.048 0.000 0.974 373 G HN 1.489 nan 8.290 nan 0.000 0.483 374 S N -0.543 115.110 115.700 -0.078 0.000 2.537 374 S HA 0.623 5.093 4.470 0.000 0.000 0.275 374 S C -0.088 174.489 174.600 -0.039 0.000 1.272 374 S CA -0.554 57.611 58.200 -0.058 0.000 1.050 374 S CB 0.897 64.068 63.200 -0.049 0.000 0.961 374 S HN 0.431 nan 8.310 nan 0.000 0.496 375 I N 1.684 122.238 120.570 -0.026 0.000 2.525 375 I HA 0.356 4.526 4.170 0.000 0.000 0.301 375 I C 0.403 176.532 176.117 0.019 0.000 0.992 375 I CA -0.511 60.788 61.300 -0.002 0.000 1.162 375 I CB 1.809 39.798 38.000 -0.018 0.000 1.332 375 I HN 0.765 nan 8.210 nan 0.000 0.458 376 E N 6.161 126.399 120.200 0.063 0.000 2.267 376 E HA 0.267 4.618 4.350 0.000 0.000 0.241 376 E C -0.724 175.845 176.600 -0.052 0.000 0.950 376 E CA -0.477 55.964 56.400 0.069 0.000 0.776 376 E CB 0.550 30.397 29.700 0.245 0.000 1.207 376 E HN 0.487 nan 8.360 nan 0.000 0.436 377 L N 5.003 126.174 121.223 -0.085 0.000 2.546 377 L HA 0.042 4.383 4.340 0.000 0.000 0.272 377 L C 0.443 177.185 176.870 -0.214 0.000 1.327 377 L CA 0.551 55.286 54.840 -0.176 0.000 1.199 377 L CB -0.889 41.090 42.059 -0.133 0.000 1.401 377 L HN 0.223 nan 8.230 nan 0.000 0.440 378 K N 0.549 120.731 120.400 -0.363 0.000 2.168 378 K HA 0.368 4.689 4.320 0.000 0.000 0.239 378 K C 1.303 177.631 176.600 -0.453 0.000 0.999 378 K CA -0.517 55.573 56.287 -0.329 0.000 0.900 378 K CB 1.263 33.531 32.500 -0.387 0.000 1.111 378 K HN 0.158 nan 8.250 nan 0.000 0.452 379 T N 2.113 116.529 114.554 -0.229 0.000 2.544 379 T HA -0.159 4.191 4.350 0.000 0.000 0.264 379 T C -1.134 173.299 174.700 -0.447 0.000 1.096 379 T CA 1.827 63.722 62.100 -0.340 0.000 1.181 379 T CB -1.144 67.608 68.868 -0.193 0.000 0.864 379 T HN 0.447 nan 8.240 nan 0.000 0.415 380 P HA -0.162 nan 4.420 nan 0.000 0.217 380 P C 1.697 178.781 177.300 -0.359 0.000 1.158 380 P CA 1.253 64.239 63.100 -0.189 0.000 0.887 380 P CB -0.185 31.463 31.700 -0.088 0.000 0.792 381 M N -0.975 118.244 119.600 -0.635 0.000 2.073 381 M HA -0.174 4.306 4.480 0.000 0.000 0.258 381 M C 1.827 177.849 176.300 -0.463 0.000 1.070 381 M CA 1.882 56.909 55.300 -0.454 0.000 1.103 381 M CB -1.451 30.872 32.600 -0.463 0.000 1.321 381 M HN -0.225 nan 8.290 nan 0.000 0.405 382 L N -1.540 119.261 121.223 -0.704 0.000 2.051 382 L HA -0.266 4.074 4.340 0.000 0.000 0.214 382 L C 2.174 178.499 176.870 -0.909 0.000 1.076 382 L CA 2.123 56.310 54.840 -1.089 0.000 0.758 382 L CB -1.347 39.639 42.059 -1.787 0.000 0.890 382 L HN 0.440 nan 8.230 nan 0.000 0.433 383 W N -0.283 120.660 121.300 -0.595 0.000 2.335 383 W HA -0.192 4.469 4.660 0.000 0.000 0.311 383 W C 2.777 179.337 176.519 0.068 0.000 1.213 383 W CA 1.130 58.371 57.345 -0.174 0.000 1.274 383 W CB -0.597 28.779 29.460 -0.140 0.000 1.148 383 W HN 0.129 nan 8.180 nan 0.000 0.498 384 A N 0.541 123.413 122.820 0.087 0.000 1.903 384 A HA -0.259 4.061 4.320 0.000 0.000 0.219 384 A C 1.939 179.559 177.584 0.061 0.000 1.191 384 A CA 2.269 54.272 52.037 -0.057 0.000 0.638 384 A CB -1.152 17.718 19.000 -0.215 0.000 0.823 384 A HN 0.349 nan 8.150 nan 0.000 0.451 385 L N -1.266 119.966 121.223 0.015 0.000 2.044 385 L HA -0.016 4.324 4.340 0.000 0.000 0.205 385 L C 2.915 179.965 176.870 0.300 0.000 1.075 385 L CA 0.992 55.886 54.840 0.090 0.000 0.747 385 L CB -1.425 40.612 42.059 -0.037 0.000 0.903 385 L HN 0.458 nan 8.230 nan 0.000 0.435 386 G N 0.644 109.709 108.800 0.441 0.000 2.556 386 G HA2 -0.391 3.569 3.960 0.000 0.000 0.220 386 G HA3 -0.391 3.569 3.960 0.000 0.000 0.220 386 G C 1.516 176.741 174.900 0.541 0.000 1.156 386 G CA 1.252 46.815 45.100 0.772 0.000 0.766 386 G HN 0.312 nan 8.290 nan 0.000 0.583 387 F N 1.172 121.380 119.950 0.430 0.000 2.091 387 F HA -0.090 4.437 4.527 0.000 0.000 0.299 387 F C 2.468 178.373 175.800 0.174 0.000 1.103 387 F CA 1.249 59.377 58.000 0.213 0.000 1.228 387 F CB -0.312 38.812 39.000 0.206 0.000 0.984 387 F HN 0.019 nan 8.300 nan 0.000 0.477 388 L N -0.697 120.887 121.223 0.603 0.000 2.081 388 L HA -0.269 4.071 4.340 0.000 0.000 0.212 388 L C 2.420 179.501 176.870 0.350 0.000 1.080 388 L CA 1.742 56.832 54.840 0.418 0.000 0.754 388 L CB -1.391 40.852 42.059 0.307 0.000 0.893 388 L HN 0.258 nan 8.230 nan 0.000 0.433 389 F N 1.054 121.100 119.950 0.160 0.000 1.992 389 F HA -0.170 4.357 4.527 0.000 0.000 0.292 389 F C 2.457 178.284 175.800 0.045 0.000 1.192 389 F CA 1.327 59.404 58.000 0.129 0.000 1.157 389 F CB -0.906 38.219 39.000 0.208 0.000 0.981 389 F HN -0.131 nan 8.300 nan 0.000 0.483 390 L N -0.631 120.523 121.223 -0.114 0.000 2.021 390 L HA -0.296 4.044 4.340 0.000 0.000 0.215 390 L C 2.578 179.306 176.870 -0.237 0.000 1.074 390 L CA 2.056 56.724 54.840 -0.286 0.000 0.760 390 L CB -1.438 40.359 42.059 -0.436 0.000 0.889 390 L HN 0.242 nan 8.230 nan 0.000 0.433 391 F N 1.164 120.847 119.950 -0.446 0.000 2.250 391 F HA -0.205 4.322 4.527 0.000 0.000 0.301 391 F C 2.364 178.040 175.800 -0.206 0.000 1.077 391 F CA 1.848 59.586 58.000 -0.437 0.000 1.348 391 F CB -0.255 38.280 39.000 -0.776 0.000 1.040 391 F HN -0.025 nan 8.300 nan 0.000 0.509 392 T N -0.045 114.478 114.554 -0.053 0.000 2.770 392 T HA -0.131 4.220 4.350 0.000 0.000 0.263 392 T C 2.136 176.702 174.700 -0.222 0.000 1.039 392 T CA 1.401 63.447 62.100 -0.090 0.000 1.142 392 T CB -0.662 68.246 68.868 0.067 0.000 0.868 392 T HN 0.086 nan 8.240 nan 0.000 0.435 393 V N 1.886 121.648 119.914 -0.254 0.000 2.220 393 V HA -0.244 3.876 4.120 0.000 0.000 0.250 393 V C 2.804 178.682 176.094 -0.359 0.000 1.053 393 V CA 2.206 64.310 62.300 -0.327 0.000 1.019 393 V CB -1.724 29.863 31.823 -0.393 0.000 0.646 393 V HN 0.603 nan 8.190 nan 0.000 0.455 394 G N 0.025 108.602 108.800 -0.372 0.000 2.855 394 G HA2 -0.356 3.605 3.960 0.000 0.000 0.227 394 G HA3 -0.356 3.605 3.960 0.000 0.000 0.227 394 G C 1.530 176.129 174.900 -0.501 0.000 1.245 394 G CA 2.246 47.048 45.100 -0.497 0.000 0.781 394 G HN 0.855 nan 8.290 nan 0.000 0.666 395 G N 0.242 108.657 108.800 -0.641 0.000 2.875 395 G HA2 -0.331 3.629 3.960 0.000 0.000 0.227 395 G HA3 -0.331 3.629 3.960 0.000 0.000 0.227 395 G C 1.763 176.564 174.900 -0.166 0.000 1.259 395 G CA 2.851 47.692 45.100 -0.431 0.000 0.780 395 G HN 0.769 nan 8.290 nan 0.000 0.685 396 V N 1.239 121.069 119.914 -0.140 0.000 2.243 396 V HA -0.367 3.753 4.120 0.000 0.000 0.258 396 V C 3.128 179.211 176.094 -0.019 0.000 1.073 396 V CA 3.448 65.710 62.300 -0.065 0.000 1.069 396 V CB -1.519 30.261 31.823 -0.073 0.000 0.681 396 V HN 0.705 nan 8.190 nan 0.000 0.457 397 T N 0.327 114.864 114.554 -0.028 0.000 2.522 397 T HA -0.355 3.995 4.350 0.000 0.000 0.253 397 T C 1.843 176.611 174.700 0.113 0.000 1.218 397 T CA 2.202 64.338 62.100 0.060 0.000 1.155 397 T CB -1.415 67.454 68.868 0.001 0.000 0.855 397 T HN 0.727 nan 8.240 nan 0.000 0.435 398 G N 1.603 110.524 108.800 0.201 0.000 2.562 398 G HA2 -0.227 3.734 3.960 0.000 0.000 0.223 398 G HA3 -0.227 3.734 3.960 0.000 0.000 0.223 398 G C 1.395 176.254 174.900 -0.069 0.000 1.102 398 G CA 0.982 46.067 45.100 -0.025 0.000 0.742 398 G HN 0.448 nan 8.290 nan 0.000 0.587 399 I N 0.836 121.392 120.570 -0.023 0.000 2.193 399 I HA -0.094 4.076 4.170 0.000 0.000 0.240 399 I C 3.047 179.150 176.117 -0.024 0.000 1.084 399 I CA 0.604 61.883 61.300 -0.034 0.000 1.365 399 I CB -1.389 36.599 38.000 -0.019 0.000 1.064 399 I HN 0.088 nan 8.210 nan 0.000 0.410 400 V N 1.586 121.513 119.914 0.023 0.000 2.231 400 V HA -0.305 3.815 4.120 0.000 0.000 0.248 400 V C 2.680 178.804 176.094 0.049 0.000 1.054 400 V CA 1.853 64.190 62.300 0.063 0.000 1.015 400 V CB -1.123 30.802 31.823 0.169 0.000 0.638 400 V HN 0.313 nan 8.190 nan 0.000 0.444 401 L N 1.271 122.522 121.223 0.047 0.000 2.042 401 L HA -0.212 4.128 4.340 0.000 0.000 0.210 401 L C 2.861 179.716 176.870 -0.025 0.000 1.076 401 L CA 2.035 56.880 54.840 0.009 0.000 0.749 401 L CB -1.045 40.946 42.059 -0.112 0.000 0.893 401 L HN 0.607 nan 8.230 nan 0.000 0.432 402 S N -0.411 115.237 115.700 -0.087 0.000 2.402 402 S HA -0.198 4.272 4.470 0.000 0.000 0.233 402 S C 1.153 175.699 174.600 -0.090 0.000 1.030 402 S CA 0.813 58.973 58.200 -0.068 0.000 1.003 402 S CB -0.447 62.681 63.200 -0.120 0.000 0.813 402 S HN 0.396 nan 8.310 nan 0.000 0.477 403 Q N 1.750 121.459 119.800 -0.153 0.000 2.301 403 Q HA 0.430 4.770 4.340 0.000 0.000 0.262 403 Q C 1.489 177.209 176.000 -0.468 0.000 1.168 403 Q CA 0.514 56.163 55.803 -0.256 0.000 0.908 403 Q CB 0.161 28.797 28.738 -0.170 0.000 1.348 403 Q HN 0.492 nan 8.270 nan 0.000 0.441 404 A N 3.610 125.891 122.820 -0.898 0.000 1.883 404 A HA -0.351 3.969 4.320 0.000 0.000 0.222 404 A C 2.132 179.406 177.584 -0.517 0.000 1.339 404 A CA 2.510 53.821 52.037 -1.210 0.000 0.692 404 A CB -0.840 17.560 19.000 -1.000 0.000 0.845 404 A HN 0.737 nan 8.150 nan 0.000 0.467 405 S N -0.781 114.713 115.700 -0.343 0.000 2.420 405 S HA -0.310 4.160 4.470 0.000 0.000 0.278 405 S C 1.773 176.235 174.600 -0.230 0.000 1.111 405 S CA 2.417 60.481 58.200 -0.227 0.000 1.315 405 S CB -1.332 61.757 63.200 -0.184 0.000 1.226 405 S HN 0.608 nan 8.310 nan 0.000 0.444 406 V N 2.313 122.072 119.914 -0.258 0.000 2.720 406 V HA -0.153 3.967 4.120 0.000 0.000 0.256 406 V C 2.192 178.080 176.094 -0.344 0.000 1.082 406 V CA 1.870 63.955 62.300 -0.359 0.000 1.101 406 V CB -0.949 30.668 31.823 -0.344 0.000 0.693 406 V HN 0.406 nan 8.190 nan 0.000 0.479 407 D N 0.579 120.862 120.400 -0.195 0.000 2.092 407 D HA -0.191 4.449 4.640 0.000 0.000 0.193 407 D C 2.299 178.614 176.300 0.025 0.000 0.994 407 D CA 1.265 55.248 54.000 -0.028 0.000 0.828 407 D CB -0.109 40.702 40.800 0.018 0.000 0.963 407 D HN 0.205 nan 8.370 nan 0.000 0.450 408 R N -0.336 120.142 120.500 -0.038 0.000 2.248 408 R HA -0.279 4.061 4.340 0.000 0.000 0.236 408 R C 2.379 178.717 176.300 0.064 0.000 1.111 408 R CA 1.961 58.067 56.100 0.009 0.000 0.894 408 R CB -1.793 28.487 30.300 -0.034 0.000 0.905 408 R HN 0.403 nan 8.270 nan 0.000 0.426 409 Y N 0.634 120.844 120.300 -0.150 0.000 2.181 409 Y HA -0.245 4.305 4.550 0.000 0.000 0.288 409 Y C 2.365 178.248 175.900 -0.027 0.000 1.146 409 Y CA 1.365 59.381 58.100 -0.141 0.000 1.164 409 Y CB -0.562 37.732 38.460 -0.277 0.000 0.982 409 Y HN 0.110 nan 8.280 nan 0.000 0.515 410 Y N -0.756 119.652 120.300 0.180 0.000 2.242 410 Y HA -0.101 4.449 4.550 0.000 0.000 0.291 410 Y C 1.297 177.264 175.900 0.111 0.000 1.137 410 Y CA 0.961 59.105 58.100 0.073 0.000 1.181 410 Y CB -1.657 36.688 38.460 -0.191 0.000 0.989 410 Y HN 0.166 nan 8.280 nan 0.000 0.527 411 H N 1.531 120.720 119.070 0.198 0.000 3.094 411 H HA -0.031 4.525 4.556 0.000 0.000 0.320 411 H C 0.946 176.342 175.328 0.113 0.000 1.000 411 H CA 0.898 57.026 56.048 0.134 0.000 1.413 411 H CB 0.021 29.841 29.762 0.098 0.000 1.405 411 H HN 0.300 nan 8.280 nan 0.000 0.586 412 D N 1.838 121.729 120.400 -0.847 0.000 2.946 412 D HA -0.220 4.420 4.640 0.000 0.000 0.202 412 D C -0.093 176.115 176.300 -0.153 0.000 1.068 412 D CA 1.516 55.213 54.000 -0.505 0.000 1.011 412 D CB -0.890 39.726 40.800 -0.308 0.000 1.105 412 D HN 0.736 nan 8.370 nan 0.000 0.425 413 T N -3.054 111.480 114.554 -0.034 0.000 2.897 413 T HA 0.390 4.740 4.350 0.000 0.000 0.278 413 T C 1.136 175.893 174.700 0.095 0.000 0.981 413 T CA -0.630 61.514 62.100 0.072 0.000 0.973 413 T CB 0.576 69.556 68.868 0.187 0.000 1.092 413 T HN -0.071 nan 8.240 nan 0.000 0.543 414 Y N -0.563 119.708 120.300 -0.050 0.000 2.716 414 Y HA 0.018 4.568 4.550 0.000 0.000 0.302 414 Y C 1.958 177.767 175.900 -0.151 0.000 1.160 414 Y CA 0.309 58.353 58.100 -0.093 0.000 1.362 414 Y CB -0.871 37.510 38.460 -0.131 0.000 0.988 414 Y HN 0.815 nan 8.280 nan 0.000 0.546 415 Y N -0.992 119.257 120.300 -0.085 0.000 2.293 415 Y HA -0.189 4.361 4.550 0.000 0.000 0.291 415 Y C 2.142 177.844 175.900 -0.329 0.000 1.137 415 Y CA 1.284 59.197 58.100 -0.311 0.000 1.202 415 Y CB -0.284 37.909 38.460 -0.446 0.000 0.990 415 Y HN -0.084 nan 8.280 nan 0.000 0.537 416 V N -1.039 118.890 119.914 0.025 0.000 2.719 416 V HA -0.220 3.900 4.120 0.000 0.000 0.252 416 V C 2.201 178.261 176.094 -0.058 0.000 1.065 416 V CA 1.243 63.560 62.300 0.029 0.000 1.086 416 V CB -0.382 31.504 31.823 0.105 0.000 0.700 416 V HN 0.320 nan 8.190 nan 0.000 0.467 417 V N 0.835 120.585 119.914 -0.274 0.000 2.219 417 V HA -0.331 3.789 4.120 0.000 0.000 0.248 417 V C 2.743 178.294 176.094 -0.904 0.000 1.053 417 V CA 2.399 64.227 62.300 -0.787 0.000 1.009 417 V CB -1.472 29.959 31.823 -0.654 0.000 0.636 417 V HN 0.555 nan 8.190 nan 0.000 0.445 418 A N -0.271 122.182 122.820 -0.611 0.000 1.972 418 A HA -0.304 4.016 4.320 0.000 0.000 0.219 418 A C 2.120 179.350 177.584 -0.591 0.000 1.169 418 A CA 2.311 53.968 52.037 -0.633 0.000 0.635 418 A CB -0.977 17.475 19.000 -0.912 0.000 0.810 418 A HN 0.894 nan 8.150 nan 0.000 0.446 419 H N -0.360 118.325 119.070 -0.640 0.000 2.353 419 H HA -0.162 4.394 4.556 0.000 0.000 0.300 419 H C 1.675 176.844 175.328 -0.264 0.000 1.090 419 H CA 2.326 58.123 56.048 -0.419 0.000 1.327 419 H CB -0.398 29.210 29.762 -0.255 0.000 1.383 419 H HN 0.606 nan 8.280 nan 0.000 0.508 420 F N -0.823 119.006 119.950 -0.201 0.000 2.053 420 F HA 0.039 4.566 4.527 0.000 0.000 0.292 420 F C 2.301 177.751 175.800 -0.585 0.000 1.125 420 F CA 1.138 58.906 58.000 -0.387 0.000 1.193 420 F CB -1.307 37.518 39.000 -0.292 0.000 0.996 420 F HN 0.129 nan 8.300 nan 0.000 0.470 421 H N -1.027 117.565 119.070 -0.797 0.000 2.368 421 H HA -0.229 4.327 4.556 0.000 0.000 0.292 421 H C 1.907 176.838 175.328 -0.661 0.000 1.117 421 H CA 2.683 58.166 56.048 -0.942 0.000 1.231 421 H CB -0.902 27.570 29.762 -2.152 0.000 1.359 421 H HN 0.291 nan 8.280 nan 0.000 0.490 422 Y N 0.038 120.008 120.300 -0.550 0.000 2.128 422 Y HA -0.202 4.348 4.550 0.000 0.000 0.284 422 Y C 2.584 178.225 175.900 -0.431 0.000 1.154 422 Y CA 1.474 59.318 58.100 -0.427 0.000 1.149 422 Y CB -0.525 37.698 38.460 -0.394 0.000 0.976 422 Y HN 0.240 nan 8.280 nan 0.000 0.505 423 V N -2.701 117.005 119.914 -0.347 0.000 3.630 423 V HA 0.013 4.134 4.120 0.000 0.000 0.273 423 V C 1.288 177.280 176.094 -0.169 0.000 1.248 423 V CA 0.884 63.019 62.300 -0.276 0.000 1.170 423 V CB -0.449 31.139 31.823 -0.392 0.000 0.899 423 V HN 0.416 nan 8.190 nan 0.000 0.457 424 M N -0.076 119.392 119.600 -0.221 0.000 2.971 424 M HA 0.150 4.630 4.480 0.000 0.000 0.238 424 M C 2.292 178.536 176.300 -0.093 0.000 1.582 424 M CA 1.224 56.427 55.300 -0.160 0.000 1.223 424 M CB 0.305 32.779 32.600 -0.209 0.000 1.238 424 M HN 0.333 nan 8.290 nan 0.000 0.568 425 S N 0.663 116.298 115.700 -0.109 0.000 2.387 425 S HA 0.070 4.540 4.470 0.000 0.000 0.226 425 S C 1.415 176.038 174.600 0.037 0.000 1.026 425 S CA 0.835 59.057 58.200 0.037 0.000 0.972 425 S CB -0.083 63.204 63.200 0.146 0.000 0.814 425 S HN 0.410 nan 8.310 nan 0.000 0.477 426 L N 0.641 121.720 121.223 -0.240 0.000 2.741 426 L HA 0.399 4.739 4.340 0.000 0.000 0.237 426 L C 1.428 177.879 176.870 -0.699 0.000 1.178 426 L CA 0.230 54.695 54.840 -0.625 0.000 0.973 426 L CB -0.039 41.556 42.059 -0.773 0.000 1.255 426 L HN 0.489 nan 8.230 nan 0.000 0.498 427 G N -0.804 107.854 108.800 -0.237 0.000 2.524 427 G HA2 0.202 4.162 3.960 0.000 0.000 0.172 427 G HA3 0.202 4.162 3.960 0.000 0.000 0.172 427 G C 1.294 176.370 174.900 0.294 0.000 1.636 427 G CA 0.625 45.649 45.100 -0.127 0.000 0.732 427 G HN 0.069 nan 8.290 nan 0.000 0.753 428 A N 0.340 123.272 122.820 0.188 0.000 1.915 428 A HA -0.069 4.251 4.320 0.000 0.000 0.220 428 A C 2.568 180.229 177.584 0.127 0.000 1.198 428 A CA 2.731 54.859 52.037 0.152 0.000 0.647 428 A CB -1.086 17.914 19.000 -0.001 0.000 0.825 428 A HN 0.639 nan 8.150 nan 0.000 0.456 429 V N -1.025 118.948 119.914 0.099 0.000 2.250 429 V HA -0.328 3.792 4.120 0.000 0.000 0.250 429 V C 2.323 178.479 176.094 0.105 0.000 1.060 429 V CA 2.473 64.798 62.300 0.043 0.000 1.030 429 V CB -1.050 30.862 31.823 0.148 0.000 0.643 429 V HN 0.543 nan 8.190 nan 0.000 0.445 430 F N 1.126 121.151 119.950 0.124 0.000 2.027 430 F HA -0.160 4.367 4.527 0.000 0.000 0.297 430 F C 2.442 178.278 175.800 0.060 0.000 1.129 430 F CA 1.609 59.765 58.000 0.260 0.000 1.195 430 F CB -1.681 37.634 39.000 0.525 0.000 0.960 430 F HN 0.201 nan 8.300 nan 0.000 0.485 431 G N 1.059 110.035 108.800 0.294 0.000 2.764 431 G HA2 -0.330 3.630 3.960 0.000 0.000 0.219 431 G HA3 -0.330 3.630 3.960 0.000 0.000 0.219 431 G C 1.782 176.644 174.900 -0.062 0.000 1.259 431 G CA 1.727 46.839 45.100 0.020 0.000 0.793 431 G HN 0.358 nan 8.290 nan 0.000 0.633 432 I N 0.057 120.605 120.570 -0.036 0.000 2.203 432 I HA -0.340 3.830 4.170 0.000 0.000 0.237 432 I C 2.641 178.677 176.117 -0.136 0.000 0.993 432 I CA 2.239 63.520 61.300 -0.031 0.000 1.277 432 I CB -0.975 36.865 38.000 -0.267 0.000 0.984 432 I HN 0.098 nan 8.210 nan 0.000 0.402 433 F N 0.899 120.619 119.950 -0.384 0.000 2.043 433 F HA -0.278 4.249 4.527 0.000 0.000 0.297 433 F C 2.756 178.201 175.800 -0.591 0.000 1.118 433 F CA 1.486 59.033 58.000 -0.755 0.000 1.202 433 F CB -1.511 36.412 39.000 -1.795 0.000 0.965 433 F HN 0.133 nan 8.300 nan 0.000 0.482 434 A N 0.487 123.059 122.820 -0.413 0.000 1.882 434 A HA -0.298 4.022 4.320 0.000 0.000 0.220 434 A C 2.635 180.072 177.584 -0.246 0.000 1.253 434 A CA 2.796 54.699 52.037 -0.225 0.000 0.664 434 A CB -1.700 17.178 19.000 -0.203 0.000 0.838 434 A HN 0.470 nan 8.150 nan 0.000 0.460 435 G N -0.252 108.322 108.800 -0.375 0.000 2.553 435 G HA2 -0.283 3.677 3.960 0.000 0.000 0.218 435 G HA3 -0.283 3.677 3.960 0.000 0.000 0.218 435 G C 1.525 176.243 174.900 -0.303 0.000 1.195 435 G CA 1.454 46.124 45.100 -0.717 0.000 0.779 435 G HN 0.581 nan 8.290 nan 0.000 0.577 436 I N -0.670 119.953 120.570 0.088 0.000 2.151 436 I HA -0.258 3.912 4.170 0.000 0.000 0.243 436 I C 2.557 178.718 176.117 0.074 0.000 1.080 436 I CA 1.381 62.819 61.300 0.230 0.000 1.339 436 I CB -0.490 37.645 38.000 0.225 0.000 1.039 436 I HN 0.116 nan 8.210 nan 0.000 0.409 437 Y N -0.109 120.232 120.300 0.068 0.000 2.145 437 Y HA -0.281 4.269 4.550 0.000 0.000 0.286 437 Y C 2.404 178.419 175.900 0.191 0.000 1.145 437 Y CA 1.876 59.943 58.100 -0.055 0.000 1.148 437 Y CB -0.816 37.583 38.460 -0.102 0.000 0.981 437 Y HN 0.082 nan 8.280 nan 0.000 0.507 438 F N -1.662 118.370 119.950 0.137 0.000 2.269 438 F HA -0.216 4.311 4.527 0.000 0.000 0.301 438 F C 1.239 177.324 175.800 0.475 0.000 1.082 438 F CA 1.279 59.349 58.000 0.117 0.000 1.360 438 F CB -0.103 38.625 39.000 -0.453 0.000 1.041 438 F HN 0.076 nan 8.300 nan 0.000 0.512 439 W N -0.746 120.753 121.300 0.331 0.000 2.714 439 W HA 0.264 4.924 4.660 0.000 0.000 0.353 439 W C 1.866 178.597 176.519 0.354 0.000 0.999 439 W CA -0.558 56.967 57.345 0.301 0.000 1.629 439 W CB -0.579 28.866 29.460 -0.026 0.000 1.106 439 W HN -0.037 nan 8.180 nan 0.000 0.545 440 I N 0.357 121.232 120.570 0.508 0.000 2.399 440 I HA -0.202 3.969 4.170 0.000 0.000 0.254 440 I C 1.980 178.253 176.117 0.260 0.000 1.146 440 I CA 2.148 63.644 61.300 0.326 0.000 1.412 440 I CB -0.321 37.807 38.000 0.213 0.000 1.076 440 I HN -0.072 nan 8.210 nan 0.000 0.432 441 G N 0.337 109.290 108.800 0.255 0.000 2.408 441 G HA2 -0.242 3.718 3.960 0.000 0.000 0.213 441 G HA3 -0.242 3.718 3.960 0.000 0.000 0.213 441 G C 1.573 176.568 174.900 0.158 0.000 1.177 441 G CA 0.573 45.636 45.100 -0.062 0.000 0.802 441 G HN 0.226 nan 8.290 nan 0.000 0.533 442 K N 0.532 121.248 120.400 0.528 0.000 2.127 442 K HA -0.085 4.236 4.320 0.000 0.000 0.208 442 K C 2.248 178.973 176.600 0.208 0.000 1.047 442 K CA 1.554 58.134 56.287 0.488 0.000 0.927 442 K CB -0.292 32.468 32.500 0.435 0.000 0.716 442 K HN 0.439 nan 8.250 nan 0.000 0.450 443 M N -1.114 118.596 119.600 0.183 0.000 2.383 443 M HA 0.170 4.650 4.480 0.000 0.000 0.247 443 M C 1.085 177.469 176.300 0.140 0.000 1.117 443 M CA 0.305 55.673 55.300 0.113 0.000 0.995 443 M CB 0.873 33.465 32.600 -0.014 0.000 1.480 443 M HN 0.161 nan 8.290 nan 0.000 0.485 444 S N -0.990 114.782 115.700 0.120 0.000 2.663 444 S HA 0.400 4.870 4.470 0.000 0.000 0.247 444 S C 1.502 176.131 174.600 0.047 0.000 1.074 444 S CA 0.497 58.750 58.200 0.088 0.000 0.955 444 S CB 0.445 63.690 63.200 0.074 0.000 0.901 444 S HN 0.582 nan 8.310 nan 0.000 0.505 445 G N 1.987 110.804 108.800 0.029 0.000 2.143 445 G HA2 -0.212 3.749 3.960 0.000 0.000 0.248 445 G HA3 -0.212 3.749 3.960 0.000 0.000 0.248 445 G C -0.103 174.766 174.900 -0.052 0.000 0.991 445 G CA 0.101 45.196 45.100 -0.010 0.000 0.689 445 G HN 0.602 nan 8.290 nan 0.000 0.522 446 R N -0.251 120.215 120.500 -0.057 0.000 2.502 446 R HA 0.487 4.827 4.340 0.000 0.000 0.300 446 R C -0.349 175.906 176.300 -0.076 0.000 0.984 446 R CA -0.854 55.201 56.100 -0.076 0.000 0.882 446 R CB 1.736 31.999 30.300 -0.062 0.000 1.180 446 R HN 0.307 nan 8.270 nan 0.000 0.444 447 Q N 2.232 121.956 119.800 -0.126 0.000 2.212 447 Q HA 0.258 4.599 4.340 0.000 0.000 0.238 447 Q C -1.077 174.947 176.000 0.040 0.000 0.955 447 Q CA -0.489 55.257 55.803 -0.096 0.000 0.906 447 Q CB 0.801 29.363 28.738 -0.293 0.000 1.215 447 Q HN 0.492 nan 8.270 nan 0.000 0.478 448 Y N -0.352 119.980 120.300 0.052 0.000 2.519 448 Y HA 0.790 5.340 4.550 0.000 0.000 0.324 448 Y C -2.376 173.582 175.900 0.098 0.000 1.214 448 Y CA -3.272 54.890 58.100 0.103 0.000 1.260 448 Y CB -0.230 38.347 38.460 0.195 0.000 1.311 448 Y HN 0.512 nan 8.280 nan 0.000 0.505 449 P HA 0.108 nan 4.420 nan 0.000 0.276 449 P C 0.089 177.232 177.300 -0.261 0.000 1.264 449 P CA 0.069 63.034 63.100 -0.225 0.000 0.769 449 P CB 1.274 32.727 31.700 -0.410 0.000 0.840 450 E N 4.653 124.715 120.200 -0.229 0.000 2.130 450 E HA -0.187 4.163 4.350 0.000 0.000 0.196 450 E C 1.375 178.043 176.600 0.115 0.000 0.998 450 E CA 1.582 57.979 56.400 -0.006 0.000 0.806 450 E CB -0.466 29.251 29.700 0.028 0.000 0.738 450 E HN 0.615 nan 8.360 nan 0.000 0.459 451 W N 0.192 121.561 121.300 0.115 0.000 2.348 451 W HA -0.076 4.584 4.660 0.000 0.000 0.324 451 W C 2.013 178.670 176.519 0.230 0.000 1.209 451 W CA 1.113 58.543 57.345 0.142 0.000 1.275 451 W CB -1.506 28.020 29.460 0.110 0.000 1.175 451 W HN 0.119 nan 8.180 nan 0.000 0.461 452 A N 2.325 124.569 122.820 -0.960 0.000 1.869 452 A HA -0.178 4.142 4.320 0.000 0.000 0.218 452 A C 2.430 180.019 177.584 0.009 0.000 1.203 452 A CA 3.661 55.264 52.037 -0.723 0.000 0.638 452 A CB -1.782 16.470 19.000 -1.247 0.000 0.831 452 A HN 0.508 nan 8.150 nan 0.000 0.450 453 G N -0.287 108.506 108.800 -0.012 0.000 2.599 453 G HA2 -0.366 3.594 3.960 0.000 0.000 0.219 453 G HA3 -0.366 3.594 3.960 0.000 0.000 0.219 453 G C 1.638 176.487 174.900 -0.085 0.000 1.193 453 G CA 1.504 46.555 45.100 -0.082 0.000 0.778 453 G HN 0.642 nan 8.290 nan 0.000 0.589 454 K N -0.171 120.234 120.400 0.009 0.000 2.000 454 K HA -0.137 4.183 4.320 0.000 0.000 0.218 454 K C 2.416 179.175 176.600 0.265 0.000 1.053 454 K CA 1.391 57.727 56.287 0.081 0.000 0.946 454 K CB -0.692 31.924 32.500 0.194 0.000 0.723 454 K HN 0.240 nan 8.250 nan 0.000 0.446 455 L N 1.295 122.740 121.223 0.370 0.000 2.040 455 L HA -0.353 3.987 4.340 0.000 0.000 0.228 455 L C 2.536 179.630 176.870 0.374 0.000 1.092 455 L CA 2.228 57.296 54.840 0.380 0.000 0.805 455 L CB -0.744 41.552 42.059 0.395 0.000 0.905 455 L HN 0.382 nan 8.230 nan 0.000 0.443 456 H N -2.066 117.217 119.070 0.355 0.000 2.319 456 H HA -0.292 4.265 4.556 0.000 0.000 0.297 456 H C 2.182 177.527 175.328 0.028 0.000 1.097 456 H CA 1.982 58.221 56.048 0.317 0.000 1.285 456 H CB -0.262 29.718 29.762 0.363 0.000 1.368 456 H HN 0.499 nan 8.280 nan 0.000 0.495 457 F N 0.467 120.108 119.950 -0.515 0.000 2.095 457 F HA -0.234 4.293 4.527 0.000 0.000 0.298 457 F C 1.911 177.341 175.800 -0.617 0.000 1.104 457 F CA 1.803 59.083 58.000 -1.201 0.000 1.232 457 F CB -0.822 37.240 39.000 -1.562 0.000 0.987 457 F HN 0.215 nan 8.300 nan 0.000 0.475 458 W N 0.220 121.336 121.300 -0.308 0.000 2.354 458 W HA -0.208 4.452 4.660 0.000 0.000 0.315 458 W C 2.642 179.063 176.519 -0.163 0.000 1.206 458 W CA 1.274 58.448 57.345 -0.285 0.000 1.290 458 W CB -0.545 28.879 29.460 -0.060 0.000 1.152 458 W HN 0.005 nan 8.180 nan 0.000 0.489 459 M N -0.676 119.034 119.600 0.182 0.000 2.163 459 M HA -0.340 4.140 4.480 0.000 0.000 0.258 459 M C 2.335 178.722 176.300 0.146 0.000 1.071 459 M CA 2.191 57.594 55.300 0.173 0.000 1.093 459 M CB -0.789 31.929 32.600 0.197 0.000 1.285 459 M HN 0.067 nan 8.290 nan 0.000 0.420 460 M N -0.343 119.327 119.600 0.117 0.000 2.149 460 M HA -0.204 4.276 4.480 0.000 0.000 0.261 460 M C 1.822 178.186 176.300 0.107 0.000 1.064 460 M CA 1.736 57.118 55.300 0.137 0.000 1.102 460 M CB -0.410 32.306 32.600 0.193 0.000 1.369 460 M HN 0.244 nan 8.290 nan 0.000 0.408 461 F N -0.375 119.409 119.950 -0.276 0.000 2.113 461 F HA -0.124 4.403 4.527 0.000 0.000 0.297 461 F C 1.780 177.582 175.800 0.002 0.000 1.103 461 F CA 1.647 59.557 58.000 -0.150 0.000 1.248 461 F CB -0.725 37.921 39.000 -0.588 0.000 0.999 461 F HN -0.027 nan 8.300 nan 0.000 0.475 462 V N 0.762 120.888 119.914 0.353 0.000 2.223 462 V HA -0.338 3.782 4.120 0.000 0.000 0.246 462 V C 2.772 178.927 176.094 0.103 0.000 1.045 462 V CA 2.362 64.811 62.300 0.247 0.000 1.004 462 V CB -1.704 30.252 31.823 0.222 0.000 0.641 462 V HN 0.519 nan 8.190 nan 0.000 0.457 463 G N -1.047 107.808 108.800 0.091 0.000 2.450 463 G HA2 -0.202 3.758 3.960 0.000 0.000 0.220 463 G HA3 -0.202 3.758 3.960 0.000 0.000 0.220 463 G C 1.623 176.500 174.900 -0.039 0.000 1.130 463 G CA 1.157 46.283 45.100 0.043 0.000 0.760 463 G HN 0.708 nan 8.290 nan 0.000 0.557 464 A N 0.667 123.469 122.820 -0.030 0.000 2.016 464 A HA 0.045 4.365 4.320 0.000 0.000 0.217 464 A C 2.247 179.715 177.584 -0.193 0.000 1.162 464 A CA 1.301 53.270 52.037 -0.113 0.000 0.662 464 A CB -0.257 18.766 19.000 0.037 0.000 0.812 464 A HN 0.326 nan 8.150 nan 0.000 0.450 465 N N 0.624 119.206 118.700 -0.196 0.000 2.058 465 N HA -0.125 4.615 4.740 0.000 0.000 0.191 465 N C 1.731 177.236 175.510 -0.008 0.000 1.037 465 N CA 1.545 54.505 53.050 -0.150 0.000 0.848 465 N CB -0.480 37.880 38.487 -0.210 0.000 1.021 465 N HN 0.484 nan 8.380 nan 0.000 0.422 466 L N 0.930 122.147 121.223 -0.010 0.000 2.043 466 L HA -0.187 4.153 4.340 0.000 0.000 0.212 466 L C 2.334 179.168 176.870 -0.060 0.000 1.075 466 L CA 1.194 56.050 54.840 0.026 0.000 0.752 466 L CB -1.002 41.081 42.059 0.039 0.000 0.891 466 L HN 0.190 nan 8.230 nan 0.000 0.432 467 T N -0.213 114.198 114.554 -0.238 0.000 2.622 467 T HA -0.161 4.189 4.350 0.000 0.000 0.266 467 T C 1.456 175.894 174.700 -0.436 0.000 1.047 467 T CA 1.747 63.555 62.100 -0.486 0.000 1.159 467 T CB -0.276 68.028 68.868 -0.940 0.000 0.863 467 T HN 0.149 nan 8.240 nan 0.000 0.422 468 F N -0.794 119.128 119.950 -0.046 0.000 2.582 468 F HA 0.391 4.918 4.527 0.000 0.000 0.290 468 F C 1.752 177.612 175.800 0.100 0.000 1.115 468 F CA -1.289 56.696 58.000 -0.025 0.000 1.445 468 F CB -0.794 38.167 39.000 -0.064 0.000 1.126 468 F HN 0.009 nan 8.300 nan 0.000 0.574 469 F N 2.271 122.385 119.950 0.273 0.000 2.027 469 F HA -0.195 4.332 4.527 0.000 0.000 0.297 469 F C -0.454 175.203 175.800 -0.239 0.000 1.129 469 F CA 2.097 60.167 58.000 0.117 0.000 1.195 469 F CB -1.760 37.228 39.000 -0.019 0.000 0.960 469 F HN -0.135 nan 8.300 nan 0.000 0.485 470 P HA -0.289 nan 4.420 nan 0.000 0.222 470 P C 1.298 178.272 177.300 -0.545 0.000 1.155 470 P CA 2.524 65.314 63.100 -0.517 0.000 0.890 470 P CB -0.287 31.418 31.700 0.008 0.000 0.790 471 Q N -2.255 117.368 119.800 -0.294 0.000 2.308 471 Q HA -0.233 4.107 4.340 0.000 0.000 0.209 471 Q C 1.926 177.691 176.000 -0.392 0.000 0.985 471 Q CA 1.314 56.984 55.803 -0.221 0.000 0.881 471 Q CB -0.707 28.005 28.738 -0.043 0.000 0.917 471 Q HN 0.568 nan 8.270 nan 0.000 0.443 472 H N -0.525 118.102 119.070 -0.738 0.000 2.326 472 H HA -0.121 4.435 4.556 0.000 0.000 0.301 472 H C 1.588 176.663 175.328 -0.422 0.000 1.081 472 H CA 1.532 57.099 56.048 -0.803 0.000 1.334 472 H CB -0.321 28.708 29.762 -1.221 0.000 1.385 472 H HN 0.187 nan 8.280 nan 0.000 0.504 473 F N 0.765 120.582 119.950 -0.221 0.000 2.043 473 F HA -0.193 4.334 4.527 0.000 0.000 0.297 473 F C 2.388 178.209 175.800 0.036 0.000 1.121 473 F CA 1.044 58.952 58.000 -0.154 0.000 1.199 473 F CB -1.346 37.386 39.000 -0.446 0.000 0.968 473 F HN 0.044 nan 8.300 nan 0.000 0.478 474 L N -0.028 121.297 121.223 0.170 0.000 2.129 474 L HA -0.194 4.146 4.340 0.000 0.000 0.212 474 L C 2.752 179.724 176.870 0.170 0.000 1.087 474 L CA 1.391 56.330 54.840 0.165 0.000 0.757 474 L CB -1.467 40.526 42.059 -0.110 0.000 0.896 474 L HN 0.331 nan 8.230 nan 0.000 0.434 475 G N 0.364 109.263 108.800 0.165 0.000 2.480 475 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 475 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 475 G C 1.639 176.785 174.900 0.410 0.000 1.200 475 G CA 0.736 46.003 45.100 0.279 0.000 0.782 475 G HN 0.370 nan 8.290 nan 0.000 0.554 476 R N -0.356 120.361 120.500 0.362 0.000 2.189 476 R HA 0.044 4.384 4.340 0.000 0.000 0.223 476 R C 2.139 178.642 176.300 0.337 0.000 1.092 476 R CA 0.951 57.209 56.100 0.263 0.000 0.989 476 R CB -0.121 30.288 30.300 0.182 0.000 0.876 476 R HN 0.257 nan 8.270 nan 0.000 0.457 477 Q N 0.122 120.175 119.800 0.423 0.000 2.280 477 Q HA 0.126 4.466 4.340 0.000 0.000 0.202 477 Q C 0.780 177.136 176.000 0.595 0.000 0.903 477 Q CA 0.543 56.629 55.803 0.471 0.000 0.948 477 Q CB 0.341 29.367 28.738 0.480 0.000 1.058 477 Q HN 0.472 nan 8.270 nan 0.000 0.493 478 G N 0.540 109.670 108.800 0.550 0.000 2.189 478 G HA2 -0.364 3.597 3.960 0.000 0.000 0.267 478 G HA3 -0.364 3.597 3.960 0.000 0.000 0.267 478 G C 0.294 175.275 174.900 0.135 0.000 0.975 478 G CA 0.426 45.748 45.100 0.368 0.000 0.644 478 G HN 0.467 nan 8.290 nan 0.000 0.537 479 M N 1.959 121.512 119.600 -0.079 0.000 2.501 479 M HA 0.229 4.709 4.480 0.000 0.000 0.363 479 M C -1.591 174.564 176.300 -0.241 0.000 1.708 479 M CA -0.657 54.304 55.300 -0.564 0.000 1.078 479 M CB 0.158 32.072 32.600 -1.144 0.000 2.107 479 M HN 0.028 nan 8.290 nan 0.000 0.466 480 P HA -0.024 nan 4.420 nan 0.000 0.270 480 P C -0.995 176.178 177.300 -0.212 0.000 1.216 480 P CA 0.445 63.305 63.100 -0.400 0.000 0.788 480 P CB 0.390 31.439 31.700 -1.084 0.000 0.883 481 R N 1.013 121.439 120.500 -0.123 0.000 2.540 481 R HA 0.411 4.751 4.340 0.000 0.000 0.287 481 R C 0.508 176.910 176.300 0.170 0.000 0.980 481 R CA -0.656 55.464 56.100 0.034 0.000 0.966 481 R CB 0.699 30.972 30.300 -0.046 0.000 1.106 481 R HN 0.406 nan 8.270 nan 0.000 0.480 482 R N -0.201 120.530 120.500 0.384 0.000 3.872 482 R HA -0.198 4.142 4.340 0.000 0.000 0.341 482 R C -0.803 176.000 176.300 0.838 0.000 1.172 482 R CA 0.625 57.113 56.100 0.647 0.000 0.901 482 R CB -1.857 28.675 30.300 0.387 0.000 1.422 482 R HN 0.407 nan 8.270 nan 0.000 0.523 483 Y N 0.241 120.748 120.300 0.344 0.000 2.301 483 Y HA 0.209 4.759 4.550 0.000 0.000 0.328 483 Y C 1.677 177.264 175.900 -0.522 0.000 1.242 483 Y CA -0.940 57.184 58.100 0.040 0.000 1.323 483 Y CB 0.548 39.034 38.460 0.043 0.000 1.266 483 Y HN 0.068 nan 8.280 nan 0.000 0.527 484 I N 0.711 120.952 120.570 -0.549 0.000 3.956 484 I HA 0.082 4.252 4.170 0.000 0.000 0.333 484 I C -0.453 175.404 176.117 -0.433 0.000 1.302 484 I CA 0.668 61.377 61.300 -0.985 0.000 1.122 484 I CB 0.258 37.993 38.000 -0.441 0.000 1.013 484 I HN 0.510 nan 8.210 nan 0.000 0.405 485 D N -0.476 119.807 120.400 -0.196 0.000 2.623 485 D HA 0.280 4.920 4.640 0.000 0.000 0.241 485 D C -1.651 174.737 176.300 0.146 0.000 1.241 485 D CA -0.164 53.800 54.000 -0.060 0.000 0.788 485 D CB 1.676 42.392 40.800 -0.140 0.000 1.413 485 D HN 0.022 nan 8.370 nan 0.000 0.429 486 Y N -1.726 118.599 120.300 0.043 0.000 2.638 486 Y HA 0.727 5.277 4.550 0.000 0.000 0.335 486 Y C -2.805 173.224 175.900 0.214 0.000 1.155 486 Y CA -2.104 56.105 58.100 0.182 0.000 1.046 486 Y CB -0.044 38.519 38.460 0.172 0.000 1.303 486 Y HN 0.082 nan 8.280 nan 0.000 0.460 487 P HA -0.026 nan 4.420 nan 0.000 0.270 487 P C 0.412 177.819 177.300 0.179 0.000 1.216 487 P CA 0.368 63.629 63.100 0.267 0.000 0.788 487 P CB 0.889 32.755 31.700 0.276 0.000 0.883 488 E N 1.708 121.923 120.200 0.025 0.000 2.051 488 E HA -0.186 4.164 4.350 0.000 0.000 0.192 488 E C 2.024 178.626 176.600 0.003 0.000 0.991 488 E CA 1.944 58.337 56.400 -0.011 0.000 0.799 488 E CB -1.046 28.628 29.700 -0.042 0.000 0.748 488 E HN 0.448 nan 8.360 nan 0.000 0.449 489 A N -0.323 122.435 122.820 -0.102 0.000 1.997 489 A HA -0.198 4.123 4.320 0.000 0.000 0.221 489 A C 1.734 179.215 177.584 -0.172 0.000 1.172 489 A CA 1.674 53.578 52.037 -0.222 0.000 0.645 489 A CB -0.890 17.812 19.000 -0.496 0.000 0.813 489 A HN 0.354 nan 8.150 nan 0.000 0.454 490 F N -0.674 119.425 119.950 0.248 0.000 2.765 490 F HA 0.356 4.883 4.527 0.000 0.000 0.302 490 F C 2.266 178.251 175.800 0.308 0.000 1.111 490 F CA -0.052 58.092 58.000 0.240 0.000 1.359 490 F CB -0.432 38.643 39.000 0.124 0.000 1.097 490 F HN 0.233 nan 8.300 nan 0.000 0.577 491 A N 0.323 123.424 122.820 0.469 0.000 1.902 491 A HA -0.170 4.150 4.320 0.000 0.000 0.217 491 A C 2.305 180.028 177.584 0.230 0.000 1.181 491 A CA 2.280 54.571 52.037 0.423 0.000 0.623 491 A CB -1.202 17.919 19.000 0.202 0.000 0.818 491 A HN 0.347 nan 8.150 nan 0.000 0.443 492 T N -0.744 113.844 114.554 0.057 0.000 2.505 492 T HA -0.325 4.025 4.350 0.000 0.000 0.259 492 T C 1.560 176.242 174.700 -0.030 0.000 1.158 492 T CA 1.758 63.775 62.100 -0.139 0.000 1.190 492 T CB -0.830 67.740 68.868 -0.495 0.000 0.864 492 T HN 0.722 nan 8.240 nan 0.000 0.413 493 W N 2.006 123.426 121.300 0.200 0.000 2.335 493 W HA -0.120 4.540 4.660 0.000 0.000 0.311 493 W C 2.773 179.381 176.519 0.148 0.000 1.213 493 W CA 0.516 57.985 57.345 0.207 0.000 1.274 493 W CB -0.614 28.998 29.460 0.254 0.000 1.148 493 W HN 0.327 nan 8.180 nan 0.000 0.498 494 N N 0.107 118.998 118.700 0.319 0.000 2.036 494 N HA -0.287 4.453 4.740 0.000 0.000 0.199 494 N C 1.577 177.246 175.510 0.265 0.000 1.036 494 N CA 2.156 55.299 53.050 0.156 0.000 0.870 494 N CB -0.894 37.591 38.487 -0.003 0.000 1.055 494 N HN -0.014 nan 8.380 nan 0.000 0.436 495 F N 2.435 122.474 119.950 0.148 0.000 2.037 495 F HA -0.315 4.213 4.527 0.000 0.000 0.296 495 F C 2.464 178.356 175.800 0.153 0.000 1.132 495 F CA 1.354 59.431 58.000 0.128 0.000 1.211 495 F CB -1.009 38.036 39.000 0.076 0.000 0.951 495 F HN -0.199 nan 8.300 nan 0.000 0.503 496 V N -0.238 119.780 119.914 0.173 0.000 2.226 496 V HA -0.444 3.676 4.120 0.000 0.000 0.254 496 V C 2.626 178.761 176.094 0.067 0.000 1.065 496 V CA 2.439 64.820 62.300 0.134 0.000 1.039 496 V CB -1.629 30.468 31.823 0.457 0.000 0.653 496 V HN 0.612 nan 8.190 nan 0.000 0.450 497 S N -0.572 115.205 115.700 0.128 0.000 2.427 497 S HA -0.326 4.144 4.470 0.000 0.000 0.231 497 S C 2.193 176.773 174.600 -0.033 0.000 1.045 497 S CA 2.603 60.812 58.200 0.015 0.000 1.154 497 S CB -0.694 62.513 63.200 0.012 0.000 1.093 497 S HN 0.618 nan 8.310 nan 0.000 0.422 498 S N 1.806 117.515 115.700 0.015 0.000 2.378 498 S HA -0.165 4.306 4.470 0.000 0.000 0.229 498 S C 1.814 176.519 174.600 0.174 0.000 1.052 498 S CA 1.817 60.060 58.200 0.072 0.000 1.084 498 S CB -0.952 62.358 63.200 0.183 0.000 0.950 498 S HN 0.505 nan 8.310 nan 0.000 0.440 499 L N 0.687 121.897 121.223 -0.022 0.000 1.965 499 L HA -0.261 4.079 4.340 0.000 0.000 0.226 499 L C 2.793 179.726 176.870 0.106 0.000 1.083 499 L CA 1.715 56.530 54.840 -0.041 0.000 0.790 499 L CB -1.732 40.162 42.059 -0.276 0.000 0.898 499 L HN 0.507 nan 8.230 nan 0.000 0.439 500 G N -0.485 108.320 108.800 0.008 0.000 2.732 500 G HA2 -0.421 3.539 3.960 0.000 0.000 0.222 500 G HA3 -0.421 3.539 3.960 0.000 0.000 0.222 500 G C 1.663 176.550 174.900 -0.021 0.000 1.203 500 G CA 1.802 46.890 45.100 -0.020 0.000 0.780 500 G HN 0.583 nan 8.290 nan 0.000 0.621 501 A N 0.349 123.101 122.820 -0.115 0.000 1.903 501 A HA -0.036 4.284 4.320 0.000 0.000 0.219 501 A C 2.242 179.791 177.584 -0.060 0.000 1.191 501 A CA 2.092 54.020 52.037 -0.181 0.000 0.638 501 A CB -0.722 18.085 19.000 -0.322 0.000 0.823 501 A HN 0.377 nan 8.150 nan 0.000 0.451 502 F N -0.866 119.090 119.950 0.009 0.000 2.043 502 F HA -0.228 4.300 4.527 0.000 0.000 0.297 502 F C 2.125 178.020 175.800 0.158 0.000 1.121 502 F CA 1.651 59.715 58.000 0.107 0.000 1.199 502 F CB -0.931 38.102 39.000 0.054 0.000 0.968 502 F HN 0.237 nan 8.300 nan 0.000 0.478 503 L N 0.041 121.426 121.223 0.271 0.000 1.976 503 L HA -0.329 4.011 4.340 0.000 0.000 0.223 503 L C 2.512 179.502 176.870 0.201 0.000 1.081 503 L CA 2.182 57.136 54.840 0.190 0.000 0.784 503 L CB -1.220 40.917 42.059 0.129 0.000 0.896 503 L HN 0.091 nan 8.230 nan 0.000 0.438 504 S N -0.823 114.979 115.700 0.171 0.000 2.377 504 S HA -0.281 4.189 4.470 0.000 0.000 0.224 504 S C 1.807 176.588 174.600 0.301 0.000 1.042 504 S CA 1.770 60.094 58.200 0.207 0.000 1.086 504 S CB -0.922 62.355 63.200 0.128 0.000 0.995 504 S HN 0.527 nan 8.310 nan 0.000 0.428 505 F N 2.831 122.858 119.950 0.128 0.000 2.147 505 F HA -0.249 4.278 4.527 0.000 0.000 0.301 505 F C 2.257 178.203 175.800 0.243 0.000 1.084 505 F CA 0.901 58.999 58.000 0.163 0.000 1.268 505 F CB -0.997 38.038 39.000 0.058 0.000 1.009 505 F HN 0.171 nan 8.300 nan 0.000 0.486 506 A N -0.159 122.771 122.820 0.183 0.000 1.852 506 A HA -0.276 4.044 4.320 0.000 0.000 0.217 506 A C 2.427 180.078 177.584 0.111 0.000 1.215 506 A CA 2.713 54.800 52.037 0.085 0.000 0.641 506 A CB -1.571 17.517 19.000 0.147 0.000 0.838 506 A HN 0.456 nan 8.150 nan 0.000 0.450 507 S N -1.140 114.685 115.700 0.208 0.000 2.393 507 S HA -0.277 4.193 4.470 0.000 0.000 0.235 507 S C 1.675 176.412 174.600 0.229 0.000 1.061 507 S CA 1.959 60.327 58.200 0.279 0.000 1.129 507 S CB -0.743 62.685 63.200 0.380 0.000 1.011 507 S HN 0.573 nan 8.310 nan 0.000 0.436 508 F N 2.166 122.212 119.950 0.160 0.000 2.120 508 F HA -0.180 4.347 4.527 0.000 0.000 0.300 508 F C 1.830 177.704 175.800 0.123 0.000 1.095 508 F CA 1.393 59.507 58.000 0.191 0.000 1.249 508 F CB -0.409 38.739 39.000 0.246 0.000 0.995 508 F HN 0.124 nan 8.300 nan 0.000 0.480 509 L N -1.423 119.840 121.223 0.067 0.000 2.046 509 L HA -0.221 4.119 4.340 0.000 0.000 0.208 509 L C 2.350 179.228 176.870 0.014 0.000 1.077 509 L CA 1.239 56.058 54.840 -0.034 0.000 0.747 509 L CB -1.314 40.670 42.059 -0.125 0.000 0.896 509 L HN 0.132 nan 8.230 nan 0.000 0.432 510 F N 1.202 121.099 119.950 -0.089 0.000 2.065 510 F HA -0.331 4.197 4.527 0.000 0.000 0.298 510 F C 2.482 178.186 175.800 -0.161 0.000 1.112 510 F CA 1.476 59.426 58.000 -0.084 0.000 1.212 510 F CB -0.861 38.115 39.000 -0.040 0.000 0.975 510 F HN 0.067 nan 8.300 nan 0.000 0.476 511 F N 0.736 120.366 119.950 -0.534 0.000 2.120 511 F HA -0.249 4.278 4.527 0.000 0.000 0.300 511 F C 1.929 177.438 175.800 -0.485 0.000 1.095 511 F CA 2.027 59.574 58.000 -0.754 0.000 1.249 511 F CB -0.853 37.476 39.000 -1.118 0.000 0.995 511 F HN 0.026 nan 8.300 nan 0.000 0.480 512 L N 0.484 121.286 121.223 -0.702 0.000 2.042 512 L HA -0.134 4.206 4.340 0.000 0.000 0.210 512 L C 2.905 179.583 176.870 -0.320 0.000 1.076 512 L CA 1.439 55.930 54.840 -0.581 0.000 0.749 512 L CB -1.776 40.092 42.059 -0.318 0.000 0.893 512 L HN 0.355 nan 8.230 nan 0.000 0.432 513 G N -0.243 108.423 108.800 -0.222 0.000 2.511 513 G HA2 -0.239 3.721 3.960 0.000 0.000 0.216 513 G HA3 -0.239 3.721 3.960 0.000 0.000 0.216 513 G C 1.637 176.500 174.900 -0.061 0.000 1.218 513 G CA 0.963 46.035 45.100 -0.046 0.000 0.788 513 G HN 0.141 nan 8.290 nan 0.000 0.560 514 V N 1.247 120.958 119.914 -0.338 0.000 2.252 514 V HA -0.295 3.825 4.120 0.000 0.000 0.255 514 V C 2.837 178.843 176.094 -0.146 0.000 1.071 514 V CA 2.123 64.215 62.300 -0.347 0.000 1.050 514 V CB -0.392 31.085 31.823 -0.576 0.000 0.654 514 V HN 0.418 nan 8.190 nan 0.000 0.448 515 I N -1.421 118.952 120.570 -0.329 0.000 2.113 515 I HA -0.264 3.906 4.170 0.000 0.000 0.238 515 I C 2.321 178.425 176.117 -0.022 0.000 1.070 515 I CA 2.259 63.418 61.300 -0.234 0.000 1.332 515 I CB -0.664 37.063 38.000 -0.455 0.000 1.044 515 I HN 0.390 nan 8.210 nan 0.000 0.402 516 F N 1.662 121.536 119.950 -0.126 0.000 2.045 516 F HA -0.383 4.144 4.527 0.000 0.000 0.297 516 F C 2.686 178.498 175.800 0.021 0.000 1.114 516 F CA 2.206 60.181 58.000 -0.042 0.000 1.207 516 F CB -1.132 37.844 39.000 -0.040 0.000 0.964 516 F HN 0.102 nan 8.300 nan 0.000 0.486 517 Y N 0.939 121.165 120.300 -0.123 0.000 2.151 517 Y HA -0.290 4.260 4.550 0.000 0.000 0.284 517 Y C 2.511 178.308 175.900 -0.172 0.000 1.166 517 Y CA 2.582 60.578 58.100 -0.173 0.000 1.163 517 Y CB -1.118 37.334 38.460 -0.012 0.000 0.974 517 Y HN 0.144 nan 8.280 nan 0.000 0.511 518 T N 1.280 115.801 114.554 -0.055 0.000 2.708 518 T HA -0.145 4.205 4.350 0.000 0.000 0.266 518 T C 1.873 176.464 174.700 -0.182 0.000 1.037 518 T CA 1.661 63.701 62.100 -0.100 0.000 1.146 518 T CB -0.404 68.497 68.868 0.055 0.000 0.865 518 T HN 0.307 nan 8.240 nan 0.000 0.435 519 L N 0.730 121.858 121.223 -0.160 0.000 2.465 519 L HA -0.014 4.326 4.340 0.000 0.000 0.224 519 L C 2.319 179.036 176.870 -0.255 0.000 1.145 519 L CA 0.949 55.702 54.840 -0.145 0.000 0.834 519 L CB -1.055 40.973 42.059 -0.052 0.000 0.944 519 L HN 0.336 nan 8.230 nan 0.000 0.451 520 T N -0.689 113.614 114.554 -0.417 0.000 3.207 520 T HA 0.081 4.431 4.350 0.000 0.000 0.229 520 T C 1.451 175.918 174.700 -0.388 0.000 0.999 520 T CA 0.452 62.273 62.100 -0.465 0.000 1.386 520 T CB 0.224 68.654 68.868 -0.730 0.000 1.130 520 T HN 0.093 nan 8.240 nan 0.000 0.435 521 R N 1.670 121.822 120.500 -0.580 0.000 2.552 521 R HA 0.375 4.715 4.340 0.000 0.000 0.314 521 R C 0.684 176.641 176.300 -0.571 0.000 1.041 521 R CA -0.382 55.382 56.100 -0.560 0.000 1.076 521 R CB -0.342 29.551 30.300 -0.678 0.000 1.290 521 R HN 0.361 nan 8.270 nan 0.000 0.563 522 G N 0.488 109.027 108.800 -0.434 0.000 2.594 522 G HA2 0.309 4.269 3.960 0.000 0.000 0.243 522 G HA3 0.309 4.269 3.960 0.000 0.000 0.243 522 G C -0.115 174.695 174.900 -0.150 0.000 1.229 522 G CA -0.273 44.681 45.100 -0.243 0.000 0.843 522 G HN 0.310 nan 8.290 nan 0.000 0.578 523 A N 1.130 123.893 122.820 -0.095 0.000 2.553 523 A HA 0.297 4.617 4.320 0.000 0.000 0.258 523 A C 1.057 178.581 177.584 -0.100 0.000 1.069 523 A CA 0.104 52.090 52.037 -0.086 0.000 0.767 523 A CB -0.137 18.804 19.000 -0.098 0.000 0.997 523 A HN 0.822 nan 8.150 nan 0.000 0.512 524 R N 2.584 123.034 120.500 -0.082 0.000 2.537 524 R HA 0.304 4.644 4.340 0.000 0.000 0.280 524 R C -0.579 175.667 176.300 -0.091 0.000 1.058 524 R CA 0.226 56.281 56.100 -0.076 0.000 1.057 524 R CB 0.408 30.676 30.300 -0.053 0.000 0.973 524 R HN 0.515 nan 8.270 nan 0.000 0.438 525 V N 4.853 124.705 119.914 -0.103 0.000 2.427 525 V HA 0.288 4.408 4.120 0.000 0.000 0.286 525 V C -0.041 176.022 176.094 -0.050 0.000 1.034 525 V CA 0.118 62.341 62.300 -0.127 0.000 0.893 525 V CB 1.749 33.430 31.823 -0.237 0.000 0.982 525 V HN 1.094 nan 8.190 nan 0.000 0.452 526 T N 4.588 119.125 114.554 -0.027 0.000 2.954 526 T HA 0.363 4.713 4.350 0.000 0.000 0.252 526 T C 0.647 175.369 174.700 0.036 0.000 0.983 526 T CA 0.598 62.700 62.100 0.005 0.000 0.941 526 T CB 0.565 69.431 68.868 -0.003 0.000 1.141 526 T HN 0.794 nan 8.240 nan 0.000 0.500 527 A N 1.795 124.642 122.820 0.045 0.000 2.366 527 A HA 0.412 4.732 4.320 0.000 0.000 0.250 527 A C 0.941 178.612 177.584 0.146 0.000 1.099 527 A CA -0.174 51.910 52.037 0.078 0.000 0.794 527 A CB 0.155 19.194 19.000 0.065 0.000 1.056 527 A HN 0.243 nan 8.150 nan 0.000 0.499 528 N N -0.331 118.456 118.700 0.146 0.000 2.415 528 N HA 0.046 4.786 4.740 0.000 0.000 0.174 528 N C -0.257 175.427 175.510 0.290 0.000 1.048 528 N CA 0.567 53.744 53.050 0.211 0.000 0.895 528 N CB 0.166 38.747 38.487 0.157 0.000 1.036 528 N HN 0.668 nan 8.380 nan 0.000 0.449 529 N N 0.358 119.135 118.700 0.128 0.000 2.448 529 N HA 0.033 4.773 4.740 0.000 0.000 0.279 529 N C -0.497 174.865 175.510 -0.246 0.000 1.025 529 N CA -0.584 52.400 53.050 -0.109 0.000 0.898 529 N CB 0.665 39.056 38.487 -0.161 0.000 1.303 529 N HN 0.076 nan 8.380 nan 0.000 0.495 530 Y N 1.385 121.417 120.300 -0.447 0.000 2.500 530 Y HA 0.418 4.968 4.550 0.000 0.000 0.270 530 Y C 1.020 176.582 175.900 -0.564 0.000 1.134 530 Y CA -0.800 56.993 58.100 -0.513 0.000 1.293 530 Y CB -0.395 37.696 38.460 -0.615 0.000 1.063 530 Y HN 0.386 nan 8.280 nan 0.000 0.534 531 W N 2.320 123.288 121.300 -0.554 0.000 2.632 531 W HA 0.189 4.850 4.660 0.000 0.000 0.297 531 W C 0.178 176.536 176.519 -0.268 0.000 1.033 531 W CA 0.618 57.717 57.345 -0.410 0.000 1.460 531 W CB -0.278 28.726 29.460 -0.761 0.000 1.286 531 W HN 0.089 nan 8.180 nan 0.000 0.478 532 N N -2.444 116.211 118.700 -0.076 0.000 3.185 532 N HA 0.067 4.807 4.740 0.000 0.000 0.238 532 N C -0.265 175.173 175.510 -0.121 0.000 1.451 532 N CA -0.584 52.439 53.050 -0.045 0.000 0.888 532 N CB 0.927 39.449 38.487 0.058 0.000 1.413 532 N HN 0.091 nan 8.380 nan 0.000 0.511 533 E N -1.033 119.099 120.200 -0.114 0.000 2.147 533 E HA -0.286 4.064 4.350 0.000 0.000 0.199 533 E C 0.693 177.069 176.600 -0.374 0.000 1.005 533 E CA 1.583 57.837 56.400 -0.244 0.000 0.810 533 E CB -0.329 29.175 29.700 -0.327 0.000 0.736 533 E HN 0.466 nan 8.360 nan 0.000 0.460 534 H N -0.108 118.913 119.070 -0.082 0.000 2.421 534 H HA 0.002 4.558 4.556 0.000 0.000 0.298 534 H C 0.784 176.053 175.328 -0.099 0.000 1.087 534 H CA 0.958 56.957 56.048 -0.083 0.000 1.330 534 H CB -0.176 29.531 29.762 -0.092 0.000 1.388 534 H HN 0.050 nan 8.280 nan 0.000 0.526 535 A N 2.811 125.562 122.820 -0.115 0.000 2.541 535 A HA 0.003 4.323 4.320 0.000 0.000 0.293 535 A C 0.610 178.237 177.584 0.073 0.000 1.307 535 A CA -0.043 51.944 52.037 -0.084 0.000 0.978 535 A CB -0.300 18.408 19.000 -0.486 0.000 1.111 535 A HN 0.408 nan 8.150 nan 0.000 0.535 536 D N 1.776 122.248 120.400 0.120 0.000 2.379 536 D HA -0.017 4.623 4.640 0.000 0.000 0.208 536 D C 0.929 177.318 176.300 0.150 0.000 1.065 536 D CA 0.691 54.765 54.000 0.123 0.000 0.848 536 D CB -0.614 40.216 40.800 0.049 0.000 0.949 536 D HN 0.481 nan 8.370 nan 0.000 0.509 537 T N -1.381 113.253 114.554 0.134 0.000 2.698 537 T HA 0.217 4.567 4.350 0.000 0.000 0.295 537 T C 1.652 176.379 174.700 0.045 0.000 1.007 537 T CA -0.571 61.505 62.100 -0.039 0.000 0.980 537 T CB 0.740 69.458 68.868 -0.250 0.000 1.036 537 T HN -0.023 nan 8.240 nan 0.000 0.526 538 L N 0.782 121.992 121.223 -0.022 0.000 2.275 538 L HA -0.015 4.325 4.340 0.000 0.000 0.215 538 L C 2.988 179.929 176.870 0.118 0.000 1.119 538 L CA 1.474 56.399 54.840 0.142 0.000 0.790 538 L CB -0.886 41.310 42.059 0.228 0.000 0.919 538 L HN 0.881 nan 8.230 nan 0.000 0.443 539 E N 0.508 120.674 120.200 -0.057 0.000 2.049 539 E HA -0.295 4.055 4.350 0.000 0.000 0.198 539 E C 1.814 178.294 176.600 -0.200 0.000 1.007 539 E CA 1.885 58.159 56.400 -0.210 0.000 0.809 539 E CB -0.890 28.632 29.700 -0.296 0.000 0.749 539 E HN 0.594 nan 8.360 nan 0.000 0.450 540 W N 1.482 122.874 121.300 0.153 0.000 2.560 540 W HA -0.073 4.587 4.660 0.000 0.000 0.252 540 W C 2.026 178.597 176.519 0.085 0.000 1.242 540 W CA 0.898 58.303 57.345 0.100 0.000 1.242 540 W CB -0.068 29.433 29.460 0.068 0.000 1.136 540 W HN 0.109 nan 8.180 nan 0.000 0.625 541 T N 0.411 115.121 114.554 0.260 0.000 3.067 541 T HA 0.099 4.449 4.350 0.000 0.000 0.257 541 T C 0.815 175.595 174.700 0.134 0.000 1.105 541 T CA 0.352 62.575 62.100 0.204 0.000 1.104 541 T CB -0.063 68.942 68.868 0.230 0.000 0.925 541 T HN -0.178 nan 8.240 nan 0.000 0.498 542 L N 0.679 121.950 121.223 0.081 0.000 2.431 542 L HA 0.424 4.764 4.340 0.000 0.000 0.260 542 L C 1.041 177.941 176.870 0.051 0.000 1.098 542 L CA -0.781 54.065 54.840 0.010 0.000 0.800 542 L CB 0.309 42.304 42.059 -0.105 0.000 1.210 542 L HN -0.083 nan 8.230 nan 0.000 0.465 543 T N -0.983 113.583 114.554 0.021 0.000 2.748 543 T HA 0.202 4.552 4.350 0.000 0.000 0.304 543 T C 0.625 175.361 174.700 0.060 0.000 1.041 543 T CA 0.499 62.630 62.100 0.052 0.000 1.033 543 T CB 0.366 69.246 68.868 0.021 0.000 0.995 543 T HN 0.760 nan 8.240 nan 0.000 0.536 544 S N 0.331 116.091 115.700 0.100 0.000 2.903 544 S HA -0.055 4.415 4.470 0.000 0.000 0.270 544 S C -2.826 171.818 174.600 0.073 0.000 1.366 544 S CA 0.052 58.331 58.200 0.131 0.000 0.991 544 S CB -1.595 61.714 63.200 0.182 0.000 1.237 544 S HN 0.834 nan 8.310 nan 0.000 0.712 545 P HA 0.566 nan 4.420 nan 0.000 0.310 545 P C -2.815 174.491 177.300 0.010 0.000 1.505 545 P CA -1.814 61.317 63.100 0.051 0.000 1.118 545 P CB 1.130 32.862 31.700 0.052 0.000 1.177 546 P HA 0.042 nan 4.420 nan 0.000 0.268 546 P C -2.298 174.936 177.300 -0.111 0.000 1.189 546 P CA -0.430 62.621 63.100 -0.081 0.000 0.771 546 P CB -1.188 30.433 31.700 -0.132 0.000 0.822 547 P HA 0.097 nan 4.420 nan 0.000 0.275 547 P C 0.939 178.139 177.300 -0.167 0.000 1.228 547 P CA -0.147 62.885 63.100 -0.113 0.000 0.786 547 P CB 0.479 32.129 31.700 -0.084 0.000 0.927 548 E N 1.607 121.725 120.200 -0.136 0.000 2.068 548 E HA -0.271 4.079 4.350 0.000 0.000 0.207 548 E C -0.125 176.229 176.600 -0.411 0.000 1.032 548 E CA 1.637 57.879 56.400 -0.264 0.000 0.839 548 E CB -0.256 29.343 29.700 -0.168 0.000 0.758 548 E HN 0.572 nan 8.360 nan 0.000 0.457 549 H N 0.081 119.061 119.070 -0.151 0.000 2.638 549 H HA 0.192 4.748 4.556 0.000 0.000 0.242 549 H C -0.862 174.384 175.328 -0.136 0.000 1.610 549 H CA 0.144 56.117 56.048 -0.126 0.000 1.275 549 H CB 0.449 30.164 29.762 -0.079 0.000 1.583 549 H HN 0.053 nan 8.280 nan 0.000 0.556 550 T N -0.671 113.794 114.554 -0.149 0.000 2.817 550 T HA 0.128 4.478 4.350 0.000 0.000 0.295 550 T C -0.041 174.541 174.700 -0.198 0.000 0.958 550 T CA -0.434 61.482 62.100 -0.307 0.000 1.157 550 T CB -0.028 68.574 68.868 -0.443 0.000 0.898 550 T HN 0.484 nan 8.240 nan 0.000 0.536 551 F N 0.122 120.093 119.950 0.035 0.000 2.843 551 F HA -0.139 4.388 4.527 0.000 0.000 0.312 551 F C 0.994 176.813 175.800 0.032 0.000 0.861 551 F CA -0.173 57.847 58.000 0.035 0.000 1.451 551 F CB -2.775 36.243 39.000 0.031 0.000 1.569 551 F HN 0.750 nan 8.300 nan 0.000 0.527 552 E N -0.229 120.070 120.200 0.166 0.000 2.015 552 E HA -0.144 4.206 4.350 0.000 0.000 0.191 552 E C 0.852 177.518 176.600 0.109 0.000 0.991 552 E CA 1.163 57.624 56.400 0.102 0.000 0.802 552 E CB 0.014 29.739 29.700 0.042 0.000 0.759 552 E HN 0.506 nan 8.360 nan 0.000 0.447 553 Q N 0.931 120.801 119.800 0.117 0.000 2.332 553 Q HA 0.189 4.529 4.340 0.000 0.000 0.263 553 Q C -0.565 175.527 176.000 0.153 0.000 0.979 553 Q CA -0.166 55.701 55.803 0.106 0.000 0.885 553 Q CB 0.855 29.647 28.738 0.091 0.000 1.218 553 Q HN 0.186 nan 8.270 nan 0.000 0.405 554 L N 5.069 126.340 121.223 0.081 0.000 2.349 554 L HA 0.262 4.602 4.340 0.000 0.000 0.275 554 L C -1.921 174.959 176.870 0.017 0.000 1.115 554 L CA -2.097 52.758 54.840 0.026 0.000 0.820 554 L CB 0.563 42.612 42.059 -0.017 0.000 1.135 554 L HN 0.408 nan 8.230 nan 0.000 0.445 555 P HA 0.015 nan 4.420 nan 0.000 0.260 555 P C -0.657 176.644 177.300 0.002 0.000 1.207 555 P CA -0.278 62.846 63.100 0.040 0.000 0.780 555 P CB 0.355 32.091 31.700 0.060 0.000 0.789 556 K N 3.707 124.072 120.400 -0.059 0.000 2.436 556 K HA 0.002 4.322 4.320 0.000 0.000 0.275 556 K C 1.615 177.945 176.600 -0.451 0.000 0.999 556 K CA 0.222 56.406 56.287 -0.172 0.000 0.980 556 K CB 0.305 32.725 32.500 -0.133 0.000 0.919 556 K HN 0.257 nan 8.250 nan 0.000 0.484 557 R N 2.558 122.764 120.500 -0.490 0.000 2.133 557 R HA -0.284 4.056 4.340 0.000 0.000 0.245 557 R C 1.722 177.381 176.300 -1.069 0.000 1.137 557 R CA 2.463 58.078 56.100 -0.808 0.000 0.947 557 R CB -0.496 29.580 30.300 -0.373 0.000 0.865 557 R HN 0.882 nan 8.270 nan 0.000 0.437 558 E N 1.178 121.024 120.200 -0.591 0.000 2.110 558 E HA -0.209 4.141 4.350 0.000 0.000 0.193 558 E C 1.132 177.438 176.600 -0.491 0.000 0.988 558 E CA 1.373 57.488 56.400 -0.474 0.000 0.804 558 E CB -0.362 29.186 29.700 -0.253 0.000 0.745 558 E HN 0.195 nan 8.360 nan 0.000 0.458 559 D N 0.930 121.093 120.400 -0.395 0.000 2.382 559 D HA -0.191 4.449 4.640 0.000 0.000 0.194 559 D C 0.701 177.005 176.300 0.006 0.000 1.026 559 D CA 1.859 55.767 54.000 -0.153 0.000 0.913 559 D CB -0.301 40.481 40.800 -0.030 0.000 0.894 559 D HN 0.527 nan 8.370 nan 0.000 0.453 560 W N 0.000 121.303 121.300 0.006 0.000 2.388 560 W HA 0.000 4.660 4.660 0.000 0.000 0.303 560 W CA 0.000 57.350 57.345 0.008 0.000 1.226 560 W CB 0.000 29.465 29.460 0.008 0.000 1.126 560 W HN 0.000 nan 8.180 nan 0.000 0.535