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 1d6u_1_A DATA FIRST_RESID 7 DATA SEQUENCE MVPMDKTLKE FGADVQWDDY AQLFTLIKDG AYVKVKPGAQ TAIVNGQPLA DATA SEQUENCE LQVPVVMKDN KAWVSDTFIN DVFQSGLDQT FQVEKRPHPL NALTADEIKQ DATA SEQUENCE AVEIVKASAD FKPNTRFTEI SLLPPDKEAV WAFALENKPV DQPRKADVIM DATA SEQUENCE LDGKHIIEAV VDLQNNKLLS WQPIKDAHGM VLLDDFASVQ NIINNSEEFA DATA SEQUENCE AAVKKRGITD AKKVITTPLT VGYFDGKDGL KQDARLLKVI SYLDVGDGNY DATA SEQUENCE WAHPIENLVA VVDLEQKKIV KIEEGPVVPV PMTARPFDGR DRVAPAVKPM DATA SEQUENCE QIIEPEGKNY TITGDMIHWR NWDFHLSMNS RVGPMISTVT YNDNGTKRKV DATA SEQUENCE MYEGSLGGMI VPYGDPDIGW YFKAYLDSGD YGMGTLTSPI ARGKDAPSNA DATA SEQUENCE VLLNETIADY TGVPMEIPRA IAVFERYAGP EYKHQEMGQP NVSTERRELV DATA SEQUENCE VRWISTVGNX DYIFDWIFHE NGTIGIDAGA TGIEAVKGVK AKTMHDETAK DATA SEQUENCE DDTRYGTLID HNIVGTTHQH IYNFRLDLDV DGENNSLVAM DPVVKPNTAG DATA SEQUENCE GPRTSTMQVN QYNIGNEQDA AQKFDPGTIR LLSNPNKENR MGNPVSYQII DATA SEQUENCE PYAGGTHPVA KGAQFAPDEW IYHRLSFMDK QLWVTRYHPG ERFPEGKYPN DATA SEQUENCE RSTHDTGLGQ YSKDNESLDN TDAVVWMTTG TTHVARAEEW PIMPTEWVHT DATA SEQUENCE LLKPWNFFDE TPTLGALK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.493 176.300 0.322 0.000 1.140 7 M CA 0.000 55.418 55.300 0.197 0.000 0.988 7 M CB 0.000 32.729 32.600 0.215 0.000 1.302 8 V N 1.349 121.467 119.914 0.340 0.000 3.120 8 V HA 0.688 4.808 4.120 -0.000 0.000 0.303 8 V C -2.639 173.239 176.094 -0.359 0.000 1.238 8 V CA -1.699 60.657 62.300 0.093 0.000 1.008 8 V CB 3.297 35.116 31.823 -0.006 0.000 1.064 8 V HN 0.635 nan 8.190 nan 0.000 0.434 9 P HA 0.204 nan 4.420 nan 0.000 0.267 9 P C 0.455 177.384 177.300 -0.618 0.000 1.205 9 P CA 0.246 62.641 63.100 -1.175 0.000 0.765 9 P CB 0.595 31.724 31.700 -0.952 0.000 0.828 10 M N 3.210 122.457 119.600 -0.590 0.000 2.081 10 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 10 M C 1.155 177.272 176.300 -0.306 0.000 1.075 10 M CA 1.844 56.883 55.300 -0.436 0.000 1.133 10 M CB -0.383 31.888 32.600 -0.548 0.000 1.330 10 M HN 0.269 nan 8.290 nan 0.000 0.414 11 D N 0.610 120.837 120.400 -0.288 0.000 2.133 11 D HA -0.239 4.401 4.640 -0.000 0.000 0.195 11 D C 1.871 178.090 176.300 -0.136 0.000 0.997 11 D CA 1.564 55.465 54.000 -0.166 0.000 0.840 11 D CB -0.300 40.424 40.800 -0.126 0.000 0.947 11 D HN 0.457 nan 8.370 nan 0.000 0.452 12 K N 0.293 120.582 120.400 -0.185 0.000 2.002 12 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 12 K C 2.109 178.645 176.600 -0.106 0.000 1.048 12 K CA 1.524 57.726 56.287 -0.142 0.000 0.930 12 K CB -0.036 32.355 32.500 -0.182 0.000 0.714 12 K HN -0.034 nan 8.250 nan 0.000 0.438 13 T N 2.366 116.838 114.554 -0.137 0.000 2.674 13 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 13 T C 1.721 176.408 174.700 -0.022 0.000 1.039 13 T CA 1.052 63.102 62.100 -0.085 0.000 1.150 13 T CB -0.105 68.696 68.868 -0.113 0.000 0.864 13 T HN 0.097 nan 8.240 nan 0.000 0.427 14 L N 1.033 122.243 121.223 -0.022 0.000 2.131 14 L HA -0.030 4.310 4.340 -0.000 0.000 0.210 14 L C 2.281 179.202 176.870 0.084 0.000 1.092 14 L CA 1.790 56.670 54.840 0.067 0.000 0.759 14 L CB -0.909 41.186 42.059 0.061 0.000 0.903 14 L HN 0.354 nan 8.230 nan 0.000 0.435 15 K N -0.308 120.105 120.400 0.022 0.000 2.296 15 K HA -0.099 4.221 4.320 -0.000 0.000 0.200 15 K C 1.798 178.404 176.600 0.010 0.000 1.048 15 K CA 0.570 56.863 56.287 0.010 0.000 0.966 15 K CB 0.106 32.601 32.500 -0.009 0.000 0.754 15 K HN 0.408 nan 8.250 nan 0.000 0.466 16 E N 0.035 120.249 120.200 0.024 0.000 2.274 16 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 16 E C 1.425 178.066 176.600 0.069 0.000 0.996 16 E CA 0.585 57.001 56.400 0.026 0.000 0.840 16 E CB -0.012 29.700 29.700 0.019 0.000 0.772 16 E HN 0.195 nan 8.360 nan 0.000 0.491 17 F N 0.430 120.321 119.950 -0.099 0.000 2.512 17 F HA 0.142 4.669 4.527 -0.000 0.000 0.296 17 F C 1.494 177.206 175.800 -0.148 0.000 1.110 17 F CA 1.298 59.214 58.000 -0.140 0.000 1.446 17 F CB 0.385 39.265 39.000 -0.201 0.000 1.092 17 F HN 0.059 nan 8.300 nan 0.000 0.554 18 G N 0.272 108.968 108.800 -0.172 0.000 2.159 18 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.227 18 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.227 18 G C 0.305 175.064 174.900 -0.234 0.000 0.986 18 G CA 0.020 44.974 45.100 -0.243 0.000 0.651 18 G HN 0.810 nan 8.290 nan 0.000 0.523 19 A N -0.150 122.574 122.820 -0.160 0.000 2.316 19 A HA 0.643 4.963 4.320 -0.000 0.000 0.284 19 A C -0.018 177.580 177.584 0.024 0.000 1.115 19 A CA 0.393 52.396 52.037 -0.057 0.000 0.812 19 A CB 0.721 19.756 19.000 0.060 0.000 1.064 19 A HN 0.485 nan 8.150 nan 0.000 0.489 20 D N 0.960 121.389 120.400 0.048 0.000 2.225 20 D HA 0.441 5.081 4.640 -0.000 0.000 0.248 20 D C -0.735 175.623 176.300 0.096 0.000 1.096 20 D CA 0.133 54.168 54.000 0.059 0.000 0.863 20 D CB 1.069 41.899 40.800 0.050 0.000 1.156 20 D HN 0.183 nan 8.370 nan 0.000 0.450 21 V N 4.537 124.515 119.914 0.107 0.000 2.417 21 V HA 0.382 4.502 4.120 -0.000 0.000 0.291 21 V C -0.134 176.086 176.094 0.210 0.000 1.024 21 V CA -0.664 61.734 62.300 0.163 0.000 0.861 21 V CB 1.364 33.269 31.823 0.136 0.000 0.985 21 V HN 0.550 nan 8.190 nan 0.000 0.436 22 Q N 4.116 124.077 119.800 0.268 0.000 2.356 22 Q HA 0.430 4.770 4.340 -0.000 0.000 0.270 22 Q C -1.359 174.845 176.000 0.340 0.000 1.058 22 Q CA -0.465 55.483 55.803 0.241 0.000 0.802 22 Q CB 3.125 31.940 28.738 0.127 0.000 1.303 22 Q HN 0.858 nan 8.270 nan 0.000 0.444 23 W N 3.928 125.244 121.300 0.027 0.000 2.600 23 W HA 0.327 4.987 4.660 0.000 0.000 0.325 23 W C -1.547 174.886 176.519 -0.143 0.000 1.034 23 W CA -0.491 56.729 57.345 -0.208 0.000 1.226 23 W CB 1.542 30.828 29.460 -0.291 0.000 1.379 23 W HN 0.642 nan 8.180 nan 0.000 0.466 24 D N 4.381 124.186 120.400 -0.991 0.000 2.441 24 D HA 0.042 4.682 4.640 -0.000 0.000 0.231 24 D C 0.500 176.061 176.300 -1.232 0.000 1.073 24 D CA 0.015 53.551 54.000 -0.774 0.000 0.850 24 D CB 1.319 41.861 40.800 -0.430 0.000 1.062 24 D HN 0.520 nan 8.370 nan 0.000 0.524 25 D N 2.455 122.351 120.400 -0.841 0.000 2.219 25 D HA -0.229 4.411 4.640 -0.000 0.000 0.205 25 D C 1.498 177.660 176.300 -0.230 0.000 0.970 25 D CA 0.914 54.641 54.000 -0.456 0.000 0.851 25 D CB -0.008 40.816 40.800 0.041 0.000 0.943 25 D HN 0.496 nan 8.370 nan 0.000 0.488 26 Y N 0.471 120.606 120.300 -0.274 0.000 2.242 26 Y HA 0.024 4.574 4.550 -0.000 0.000 0.291 26 Y C 1.874 177.662 175.900 -0.187 0.000 1.137 26 Y CA 1.717 59.713 58.100 -0.173 0.000 1.181 26 Y CB -0.281 38.099 38.460 -0.134 0.000 0.989 26 Y HN 0.022 nan 8.280 nan 0.000 0.527 27 A N -0.929 121.692 122.820 -0.333 0.000 2.267 27 A HA 0.136 4.456 4.320 -0.000 0.000 0.213 27 A C 0.581 177.942 177.584 -0.373 0.000 1.192 27 A CA 0.273 52.088 52.037 -0.370 0.000 0.851 27 A CB -0.042 18.827 19.000 -0.218 0.000 0.881 27 A HN 0.428 nan 8.150 nan 0.000 0.494 28 Q N -1.609 117.874 119.800 -0.528 0.000 2.452 28 Q HA -0.206 4.134 4.340 -0.000 0.000 0.318 28 Q C -0.810 174.909 176.000 -0.469 0.000 1.386 28 Q CA 0.898 56.391 55.803 -0.516 0.000 0.872 28 Q CB -1.830 26.852 28.738 -0.092 0.000 1.151 28 Q HN 0.595 nan 8.270 nan 0.000 0.417 29 L N -0.314 120.445 121.223 -0.773 0.000 2.408 29 L HA 0.682 5.022 4.340 -0.000 0.000 0.268 29 L C -1.158 175.544 176.870 -0.279 0.000 0.986 29 L CA -0.565 54.084 54.840 -0.318 0.000 0.820 29 L CB 1.396 43.348 42.059 -0.179 0.000 1.303 29 L HN 0.015 nan 8.230 nan 0.000 0.411 30 F N 2.227 122.277 119.950 0.166 0.000 2.421 30 F HA 0.631 5.158 4.527 -0.000 0.000 0.337 30 F C 0.394 176.255 175.800 0.102 0.000 1.105 30 F CA -0.203 57.940 58.000 0.238 0.000 1.049 30 F CB 2.121 41.293 39.000 0.287 0.000 1.139 30 F HN 0.373 nan 8.300 nan 0.000 0.479 31 T N 5.476 120.191 114.554 0.269 0.000 2.815 31 T HA 0.546 4.896 4.350 -0.000 0.000 0.289 31 T C -0.906 173.829 174.700 0.059 0.000 1.000 31 T CA -0.495 61.640 62.100 0.057 0.000 0.958 31 T CB 0.603 69.445 68.868 -0.043 0.000 0.944 31 T HN 0.065 nan 8.240 nan 0.000 0.442 32 L N 4.581 125.819 121.223 0.026 0.000 2.307 32 L HA 0.646 4.986 4.340 -0.000 0.000 0.284 32 L C -0.240 176.666 176.870 0.060 0.000 1.023 32 L CA -0.518 54.400 54.840 0.131 0.000 0.810 32 L CB 1.106 43.344 42.059 0.299 0.000 1.231 32 L HN 0.616 nan 8.230 nan 0.000 0.423 33 I N 3.266 123.901 120.570 0.108 0.000 2.533 33 I HA 0.524 4.694 4.170 -0.000 0.000 0.290 33 I C -0.446 175.765 176.117 0.157 0.000 1.056 33 I CA -0.715 60.648 61.300 0.106 0.000 1.057 33 I CB 2.246 40.262 38.000 0.027 0.000 1.240 33 I HN 0.501 nan 8.210 nan 0.000 0.423 34 K N 5.963 126.485 120.400 0.204 0.000 2.635 34 K HA 0.217 4.537 4.320 -0.000 0.000 0.266 34 K C -1.006 175.678 176.600 0.140 0.000 1.033 34 K CA -0.369 55.965 56.287 0.079 0.000 0.919 34 K CB 1.072 33.496 32.500 -0.127 0.000 1.289 34 K HN 0.760 nan 8.250 nan 0.000 0.463 35 D N 1.942 122.411 120.400 0.116 0.000 3.771 35 D HA -0.261 4.379 4.640 -0.000 0.000 0.145 35 D C 0.945 177.372 176.300 0.211 0.000 0.892 35 D CA 2.173 56.280 54.000 0.179 0.000 1.080 35 D CB -0.949 39.980 40.800 0.215 0.000 0.498 35 D HN 0.771 nan 8.370 nan 0.000 0.499 36 G N 0.443 109.384 108.800 0.235 0.000 2.920 36 G HA2 0.350 4.310 3.960 -0.000 0.000 0.208 36 G HA3 0.350 4.310 3.960 -0.000 0.000 0.208 36 G C 0.363 175.380 174.900 0.194 0.000 1.159 36 G CA 0.987 46.186 45.100 0.165 0.000 0.784 36 G HN 0.640 nan 8.290 nan 0.000 0.535 37 A N 0.138 123.119 122.820 0.269 0.000 2.276 37 A HA 0.610 4.930 4.320 -0.000 0.000 0.300 37 A C -1.507 176.249 177.584 0.287 0.000 1.235 37 A CA -0.614 51.591 52.037 0.281 0.000 0.867 37 A CB 0.473 19.731 19.000 0.430 0.000 1.137 37 A HN 0.275 nan 8.150 nan 0.000 0.527 38 Y N 3.383 123.744 120.300 0.101 0.000 2.376 38 Y HA 0.515 5.065 4.550 -0.000 0.000 0.326 38 Y C -0.852 175.075 175.900 0.045 0.000 0.970 38 Y CA -0.566 57.589 58.100 0.092 0.000 1.248 38 Y CB 1.294 39.794 38.460 0.068 0.000 1.117 38 Y HN 0.455 nan 8.280 nan 0.000 0.476 39 V N 5.969 125.836 119.914 -0.079 0.000 2.581 39 V HA 0.537 4.656 4.120 -0.000 0.000 0.303 39 V C -0.807 175.277 176.094 -0.017 0.000 1.041 39 V CA -1.132 61.138 62.300 -0.051 0.000 0.907 39 V CB 1.981 33.705 31.823 -0.164 0.000 0.994 39 V HN 0.582 nan 8.190 nan 0.000 0.442 40 K N 2.621 123.060 120.400 0.065 0.000 2.507 40 K HA 0.770 5.090 4.320 -0.000 0.000 0.252 40 K C -1.663 175.019 176.600 0.137 0.000 0.943 40 K CA -0.586 55.768 56.287 0.112 0.000 0.808 40 K CB 2.549 35.127 32.500 0.129 0.000 1.142 40 K HN 0.436 nan 8.250 nan 0.000 0.426 41 V N 3.272 123.311 119.914 0.209 0.000 2.733 41 V HA 0.392 4.512 4.120 -0.000 0.000 0.306 41 V C -1.631 174.641 176.094 0.298 0.000 1.084 41 V CA -0.717 61.723 62.300 0.233 0.000 0.905 41 V CB 1.796 33.785 31.823 0.276 0.000 1.010 41 V HN 0.646 nan 8.190 nan 0.000 0.424 42 K N 6.521 127.055 120.400 0.224 0.000 2.138 42 K HA 0.543 4.863 4.320 -0.000 0.000 0.263 42 K C -2.720 174.028 176.600 0.245 0.000 0.965 42 K CA -1.821 54.606 56.287 0.234 0.000 0.868 42 K CB 1.733 34.309 32.500 0.127 0.000 1.083 42 K HN 0.443 nan 8.250 nan 0.000 0.443 43 P HA -0.072 nan 4.420 nan 0.000 0.264 43 P C 0.647 178.033 177.300 0.144 0.000 1.193 43 P CA 0.969 64.206 63.100 0.229 0.000 0.763 43 P CB 0.515 32.366 31.700 0.251 0.000 0.810 44 G N 2.124 110.988 108.800 0.106 0.000 2.267 44 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.257 44 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.257 44 G C 0.502 175.445 174.900 0.072 0.000 0.998 44 G CA 0.041 45.187 45.100 0.076 0.000 0.620 44 G HN 0.857 nan 8.290 nan 0.000 0.529 45 A N -0.051 122.822 122.820 0.088 0.000 2.462 45 A HA 0.626 4.946 4.320 -0.000 0.000 0.243 45 A C 1.105 178.732 177.584 0.073 0.000 1.076 45 A CA 1.099 53.181 52.037 0.076 0.000 0.773 45 A CB 0.306 19.359 19.000 0.087 0.000 1.010 45 A HN 0.499 nan 8.150 nan 0.000 0.493 46 Q N -0.161 119.673 119.800 0.056 0.000 2.425 46 Q HA 0.059 4.399 4.340 -0.000 0.000 0.204 46 Q C 0.495 176.525 176.000 0.051 0.000 0.933 46 Q CA 1.058 56.891 55.803 0.050 0.000 0.939 46 Q CB 0.189 28.948 28.738 0.036 0.000 1.044 46 Q HN 0.945 nan 8.270 nan 0.000 0.513 47 T N -3.584 111.003 114.554 0.054 0.000 2.865 47 T HA 0.840 5.190 4.350 -0.000 0.000 0.294 47 T C -0.876 173.860 174.700 0.061 0.000 1.119 47 T CA -0.700 61.428 62.100 0.046 0.000 1.007 47 T CB 2.230 71.117 68.868 0.031 0.000 1.225 47 T HN 0.020 nan 8.240 nan 0.000 0.515 48 A N 0.742 123.589 122.820 0.045 0.000 2.564 48 A HA 0.823 5.143 4.320 -0.000 0.000 0.288 48 A C -1.456 176.143 177.584 0.025 0.000 1.164 48 A CA -0.963 51.105 52.037 0.052 0.000 0.712 48 A CB 1.349 20.381 19.000 0.054 0.000 1.303 48 A HN 0.782 nan 8.150 nan 0.000 0.418 49 I N 1.121 121.711 120.570 0.033 0.000 2.436 49 I HA 0.475 4.645 4.170 -0.000 0.000 0.289 49 I C -0.879 175.247 176.117 0.016 0.000 1.010 49 I CA -0.567 60.751 61.300 0.031 0.000 1.098 49 I CB 1.249 39.286 38.000 0.061 0.000 1.266 49 I HN 0.268 nan 8.210 nan 0.000 0.434 50 V N 6.102 126.013 119.914 -0.005 0.000 2.407 50 V HA 0.358 4.478 4.120 -0.000 0.000 0.291 50 V C 0.459 176.569 176.094 0.026 0.000 1.018 50 V CA -0.861 61.426 62.300 -0.021 0.000 0.842 50 V CB 1.126 32.893 31.823 -0.092 0.000 0.996 50 V HN 0.882 nan 8.190 nan 0.000 0.426 51 N N 4.136 122.886 118.700 0.083 0.000 2.714 51 N HA -0.260 4.480 4.740 -0.000 0.000 0.252 51 N C 1.177 176.705 175.510 0.030 0.000 1.014 51 N CA 0.477 53.568 53.050 0.070 0.000 0.735 51 N CB -0.616 37.898 38.487 0.046 0.000 0.924 51 N HN 1.372 nan 8.380 nan 0.000 0.540 52 G N -1.302 107.521 108.800 0.040 0.000 2.205 52 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.261 52 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.261 52 G C -0.141 174.766 174.900 0.013 0.000 0.980 52 G CA 0.401 45.511 45.100 0.017 0.000 0.632 52 G HN 0.411 nan 8.290 nan 0.000 0.533 53 Q N 0.840 120.647 119.800 0.011 0.000 2.312 53 Q HA 0.452 4.792 4.340 -0.000 0.000 0.263 53 Q C -2.447 173.553 176.000 0.001 0.000 0.995 53 Q CA -2.061 53.743 55.803 0.003 0.000 0.853 53 Q CB 2.423 31.159 28.738 -0.003 0.000 1.300 53 Q HN 0.335 nan 8.270 nan 0.000 0.448 54 P HA 0.102 nan 4.420 nan 0.000 0.271 54 P C -0.809 176.486 177.300 -0.008 0.000 1.220 54 P CA -0.357 62.744 63.100 0.002 0.000 0.768 54 P CB 0.754 32.457 31.700 0.005 0.000 0.848 55 L N 3.573 124.789 121.223 -0.012 0.000 2.381 55 L HA 0.672 5.012 4.340 -0.000 0.000 0.274 55 L C -0.655 176.208 176.870 -0.011 0.000 0.988 55 L CA -0.941 53.883 54.840 -0.025 0.000 0.824 55 L CB 1.762 43.786 42.059 -0.059 0.000 1.263 55 L HN 0.434 nan 8.230 nan 0.000 0.410 56 A N 5.873 128.688 122.820 -0.008 0.000 2.363 56 A HA 0.635 4.955 4.320 -0.000 0.000 0.270 56 A C -0.668 176.920 177.584 0.006 0.000 1.121 56 A CA -0.346 51.693 52.037 0.004 0.000 0.800 56 A CB 0.004 19.007 19.000 0.004 0.000 1.052 56 A HN 0.754 nan 8.150 nan 0.000 0.493 57 L N 2.303 123.542 121.223 0.027 0.000 2.322 57 L HA 0.283 4.623 4.340 -0.000 0.000 0.279 57 L C 1.290 178.187 176.870 0.045 0.000 1.036 57 L CA -0.473 54.394 54.840 0.045 0.000 0.807 57 L CB 1.441 43.556 42.059 0.093 0.000 1.226 57 L HN 0.933 nan 8.230 nan 0.000 0.433 58 Q N 1.175 121.003 119.800 0.047 0.000 2.049 58 Q HA 0.034 4.374 4.340 -0.000 0.000 0.198 58 Q C -0.321 175.710 176.000 0.051 0.000 0.971 58 Q CA 0.994 56.821 55.803 0.040 0.000 0.833 58 Q CB 0.327 29.086 28.738 0.036 0.000 0.896 58 Q HN 0.438 nan 8.270 nan 0.000 0.434 59 V N 2.482 122.442 119.914 0.075 0.000 2.443 59 V HA 0.283 4.403 4.120 -0.000 0.000 0.293 59 V C -2.316 173.832 176.094 0.091 0.000 1.021 59 V CA -1.782 60.561 62.300 0.072 0.000 0.848 59 V CB 1.395 33.259 31.823 0.069 0.000 0.998 59 V HN 0.085 nan 8.190 nan 0.000 0.424 60 P HA 0.129 nan 4.420 nan 0.000 0.270 60 P C -0.316 177.014 177.300 0.051 0.000 1.223 60 P CA -0.134 63.012 63.100 0.077 0.000 0.785 60 P CB 0.491 32.228 31.700 0.062 0.000 0.923 61 V N 2.366 122.304 119.914 0.040 0.000 2.637 61 V HA 0.185 4.305 4.120 -0.000 0.000 0.296 61 V C 0.504 176.616 176.094 0.029 0.000 1.046 61 V CA 0.082 62.362 62.300 -0.033 0.000 1.066 61 V CB 0.780 32.572 31.823 -0.052 0.000 0.968 61 V HN 0.374 nan 8.190 nan 0.000 0.483 62 V N 4.062 123.997 119.914 0.034 0.000 2.680 62 V HA 0.647 4.767 4.120 -0.000 0.000 0.309 62 V C -0.422 175.730 176.094 0.097 0.000 1.052 62 V CA -1.021 61.313 62.300 0.057 0.000 0.908 62 V CB 2.093 33.932 31.823 0.027 0.000 1.001 62 V HN 0.674 nan 8.190 nan 0.000 0.431 63 M N 3.672 123.314 119.600 0.070 0.000 2.108 63 M HA 0.557 5.037 4.480 -0.000 0.000 0.354 63 M C -0.553 175.775 176.300 0.046 0.000 1.229 63 M CA -0.216 55.127 55.300 0.072 0.000 1.081 63 M CB 0.831 33.446 32.600 0.025 0.000 1.606 63 M HN 0.763 nan 8.290 nan 0.000 0.467 64 K N 2.177 122.638 120.400 0.103 0.000 2.521 64 K HA 0.259 4.579 4.320 -0.000 0.000 0.248 64 K C -0.705 175.933 176.600 0.063 0.000 0.978 64 K CA -0.015 56.262 56.287 -0.016 0.000 0.947 64 K CB 0.507 32.818 32.500 -0.316 0.000 1.165 64 K HN 0.654 nan 8.250 nan 0.000 0.445 65 D N 3.472 123.882 120.400 0.016 0.000 2.699 65 D HA -0.216 4.424 4.640 -0.000 0.000 0.239 65 D C -0.947 175.374 176.300 0.034 0.000 1.136 65 D CA 1.159 55.174 54.000 0.025 0.000 0.668 65 D CB -1.286 39.534 40.800 0.033 0.000 1.060 65 D HN 0.855 nan 8.370 nan 0.000 0.429 66 N N -0.866 117.840 118.700 0.009 0.000 2.714 66 N HA -0.244 4.496 4.740 -0.000 0.000 0.250 66 N C -1.057 174.431 175.510 -0.038 0.000 1.117 66 N CA 1.644 54.672 53.050 -0.037 0.000 0.719 66 N CB -0.429 38.036 38.487 -0.037 0.000 1.081 66 N HN 0.644 nan 8.380 nan 0.000 0.557 67 K N -0.265 120.164 120.400 0.048 0.000 2.463 67 K HA 0.711 5.031 4.320 -0.000 0.000 0.255 67 K C -0.470 176.202 176.600 0.120 0.000 0.942 67 K CA -0.620 55.700 56.287 0.056 0.000 0.814 67 K CB 1.923 34.531 32.500 0.179 0.000 1.122 67 K HN 0.151 nan 8.250 nan 0.000 0.425 68 A N 2.736 125.521 122.820 -0.058 0.000 2.388 68 A HA 0.458 4.778 4.320 -0.000 0.000 0.257 68 A C -1.323 176.135 177.584 -0.211 0.000 1.095 68 A CA -0.107 51.888 52.037 -0.071 0.000 0.791 68 A CB 0.060 18.907 19.000 -0.256 0.000 1.029 68 A HN 0.666 nan 8.150 nan 0.000 0.489 69 W N 0.693 121.874 121.300 -0.198 0.000 2.844 69 W HA 0.548 5.207 4.660 -0.000 0.000 0.340 69 W C -0.274 176.093 176.519 -0.254 0.000 1.093 69 W CA -0.402 56.827 57.345 -0.193 0.000 1.212 69 W CB 2.010 31.396 29.460 -0.123 0.000 1.422 69 W HN 0.774 nan 8.180 nan 0.000 0.515 70 V N -0.568 119.286 119.914 -0.100 0.000 3.160 70 V HA 0.730 4.850 4.120 -0.000 0.000 0.310 70 V C 0.033 176.108 176.094 -0.032 0.000 1.181 70 V CA -1.206 60.957 62.300 -0.228 0.000 1.047 70 V CB 1.107 32.502 31.823 -0.714 0.000 1.068 70 V HN 0.479 nan 8.190 nan 0.000 0.441 71 S N 0.738 116.459 115.700 0.036 0.000 2.576 71 S HA 0.052 4.522 4.470 -0.000 0.000 0.272 71 S C 1.017 175.678 174.600 0.102 0.000 1.352 71 S CA 0.496 58.755 58.200 0.099 0.000 1.021 71 S CB 0.378 63.662 63.200 0.140 0.000 0.887 71 S HN 1.143 nan 8.310 nan 0.000 0.542 72 D N 1.634 122.080 120.400 0.076 0.000 2.363 72 D HA -0.061 4.579 4.640 -0.000 0.000 0.220 72 D C 1.211 177.542 176.300 0.052 0.000 0.994 72 D CA 0.748 54.780 54.000 0.055 0.000 0.890 72 D CB -0.281 40.544 40.800 0.041 0.000 0.906 72 D HN 0.468 nan 8.370 nan 0.000 0.530 73 T N -1.305 113.293 114.554 0.073 0.000 3.085 73 T HA 0.092 4.442 4.350 -0.000 0.000 0.264 73 T C 0.886 175.622 174.700 0.060 0.000 1.019 73 T CA -0.626 61.502 62.100 0.046 0.000 0.910 73 T CB -0.638 68.248 68.868 0.030 0.000 1.059 73 T HN 0.016 nan 8.240 nan 0.000 0.542 74 F N 2.172 122.099 119.950 -0.038 0.000 2.025 74 F HA -0.053 4.474 4.527 -0.000 0.000 0.297 74 F C 1.752 177.531 175.800 -0.035 0.000 1.132 74 F CA 1.714 59.691 58.000 -0.037 0.000 1.191 74 F CB -0.407 38.569 39.000 -0.040 0.000 0.963 74 F HN 0.189 nan 8.300 nan 0.000 0.481 75 I N 0.417 120.987 120.570 -0.001 0.000 2.151 75 I HA -0.418 3.752 4.170 -0.000 0.000 0.243 75 I C 2.526 178.561 176.117 -0.136 0.000 1.080 75 I CA 1.933 63.152 61.300 -0.135 0.000 1.339 75 I CB -0.817 36.909 38.000 -0.457 0.000 1.039 75 I HN 0.392 nan 8.210 nan 0.000 0.409 76 N N 1.055 119.681 118.700 -0.123 0.000 2.106 76 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 76 N C 1.420 176.876 175.510 -0.090 0.000 1.029 76 N CA 1.865 54.869 53.050 -0.076 0.000 0.848 76 N CB -0.188 38.269 38.487 -0.049 0.000 1.007 76 N HN 0.304 nan 8.380 nan 0.000 0.423 77 D N 0.283 120.605 120.400 -0.130 0.000 2.144 77 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 77 D C 1.981 178.140 176.300 -0.235 0.000 0.984 77 D CA 0.810 54.720 54.000 -0.149 0.000 0.834 77 D CB 0.164 40.886 40.800 -0.131 0.000 0.955 77 D HN 0.193 nan 8.370 nan 0.000 0.465 78 V N -0.038 119.634 119.914 -0.404 0.000 2.436 78 V HA -0.086 4.034 4.120 -0.000 0.000 0.240 78 V C 2.008 177.822 176.094 -0.466 0.000 1.040 78 V CA 0.877 62.848 62.300 -0.547 0.000 1.052 78 V CB -0.441 30.782 31.823 -1.000 0.000 0.707 78 V HN 0.002 nan 8.190 nan 0.000 0.469 79 F N -0.019 119.814 119.950 -0.196 0.000 2.293 79 F HA -0.018 4.509 4.527 -0.000 0.000 0.297 79 F C 2.109 177.909 175.800 0.000 0.000 1.089 79 F CA 0.866 58.842 58.000 -0.040 0.000 1.377 79 F CB -0.150 38.871 39.000 0.035 0.000 1.051 79 F HN 0.149 nan 8.300 nan 0.000 0.511 80 Q N -0.337 119.526 119.800 0.104 0.000 2.201 80 Q HA 0.073 4.413 4.340 -0.000 0.000 0.217 80 Q C 1.968 177.978 176.000 0.016 0.000 0.860 80 Q CA 0.287 56.132 55.803 0.070 0.000 0.984 80 Q CB -0.156 28.610 28.738 0.047 0.000 1.095 80 Q HN 0.312 nan 8.270 nan 0.000 0.477 81 S N -1.449 114.237 115.700 -0.023 0.000 2.368 81 S HA -0.030 4.440 4.470 -0.000 0.000 0.225 81 S C 1.685 176.277 174.600 -0.013 0.000 1.030 81 S CA 1.149 59.322 58.200 -0.043 0.000 0.999 81 S CB -0.145 63.001 63.200 -0.090 0.000 0.844 81 S HN 0.480 nan 8.310 nan 0.000 0.459 82 G N 0.584 109.388 108.800 0.007 0.000 2.336 82 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.194 82 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.194 82 G C 0.687 175.597 174.900 0.017 0.000 0.999 82 G CA 0.119 45.231 45.100 0.021 0.000 0.669 82 G HN 0.457 nan 8.290 nan 0.000 0.482 83 L N 0.965 122.188 121.223 -0.001 0.000 2.376 83 L HA 0.185 4.525 4.340 -0.000 0.000 0.219 83 L C 0.952 177.831 176.870 0.015 0.000 1.133 83 L CA 0.937 55.775 54.840 -0.003 0.000 0.816 83 L CB -0.044 42.000 42.059 -0.025 0.000 0.933 83 L HN 0.228 nan 8.230 nan 0.000 0.449 84 D N 0.356 120.779 120.400 0.038 0.000 2.411 84 D HA 0.070 4.710 4.640 -0.000 0.000 0.225 84 D C 0.564 176.913 176.300 0.081 0.000 1.156 84 D CA -0.034 54.010 54.000 0.074 0.000 0.874 84 D CB 1.038 41.918 40.800 0.134 0.000 1.034 84 D HN 0.108 nan 8.370 nan 0.000 0.502 85 Q N 1.869 121.695 119.800 0.044 0.000 2.320 85 Q HA 0.037 4.377 4.340 -0.000 0.000 0.201 85 Q C 1.327 177.330 176.000 0.005 0.000 0.910 85 Q CA 0.091 55.913 55.803 0.032 0.000 0.946 85 Q CB 0.483 29.226 28.738 0.009 0.000 1.062 85 Q HN 0.483 nan 8.270 nan 0.000 0.503 86 T N 0.521 115.069 114.554 -0.009 0.000 2.665 86 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 86 T C 0.183 174.709 174.700 -0.290 0.000 1.035 86 T CA 1.279 63.281 62.100 -0.164 0.000 1.151 86 T CB -0.055 68.727 68.868 -0.144 0.000 0.862 86 T HN 0.106 nan 8.240 nan 0.000 0.438 87 F N 1.331 121.313 119.950 0.054 0.000 2.436 87 F HA 0.490 5.017 4.527 -0.000 0.000 0.340 87 F C 0.431 176.254 175.800 0.039 0.000 1.113 87 F CA -1.028 57.002 58.000 0.050 0.000 1.022 87 F CB 1.207 40.238 39.000 0.052 0.000 1.128 87 F HN -0.156 nan 8.300 nan 0.000 0.466 88 Q N 2.157 122.065 119.800 0.180 0.000 2.387 88 Q HA 0.496 4.836 4.340 -0.000 0.000 0.273 88 Q C -0.722 175.347 176.000 0.115 0.000 1.089 88 Q CA -1.077 54.795 55.803 0.114 0.000 0.824 88 Q CB 2.729 31.504 28.738 0.062 0.000 1.367 88 Q HN 0.570 nan 8.270 nan 0.000 0.443 89 V N -1.274 118.692 119.914 0.086 0.000 2.715 89 V HA 0.242 4.362 4.120 -0.000 0.000 0.299 89 V C 0.148 176.285 176.094 0.071 0.000 1.054 89 V CA -0.333 62.011 62.300 0.074 0.000 1.077 89 V CB 0.764 32.620 31.823 0.055 0.000 0.972 89 V HN 0.829 nan 8.190 nan 0.000 0.484 90 E N 3.234 123.479 120.200 0.075 0.000 2.035 90 E HA 0.315 4.665 4.350 -0.000 0.000 0.271 90 E C 0.455 177.103 176.600 0.079 0.000 0.953 90 E CA -0.531 55.920 56.400 0.086 0.000 0.777 90 E CB 1.071 30.829 29.700 0.098 0.000 1.104 90 E HN 0.797 nan 8.360 nan 0.000 0.408 91 K N 2.830 123.274 120.400 0.075 0.000 2.167 91 K HA 0.058 4.378 4.320 -0.000 0.000 0.203 91 K C 0.319 176.969 176.600 0.084 0.000 1.052 91 K CA 0.683 57.008 56.287 0.065 0.000 0.956 91 K CB 0.312 32.841 32.500 0.049 0.000 0.735 91 K HN 0.291 nan 8.250 nan 0.000 0.451 92 R N 2.058 122.631 120.500 0.122 0.000 2.312 92 R HA 0.204 4.544 4.340 -0.000 0.000 0.310 92 R C -2.601 173.840 176.300 0.237 0.000 1.064 92 R CA -1.776 54.431 56.100 0.179 0.000 0.983 92 R CB 1.191 31.613 30.300 0.203 0.000 1.139 92 R HN 0.026 nan 8.270 nan 0.000 0.536 93 P HA -0.136 nan 4.420 nan 0.000 0.263 93 P C -0.511 176.767 177.300 -0.037 0.000 1.195 93 P CA 0.275 63.424 63.100 0.082 0.000 0.762 93 P CB 0.539 32.260 31.700 0.035 0.000 0.799 94 H N 7.097 126.090 119.070 -0.127 0.000 2.928 94 H HA 0.015 4.571 4.556 -0.000 0.000 0.338 94 H C -1.114 173.903 175.328 -0.517 0.000 1.047 94 H CA -1.230 54.548 56.048 -0.450 0.000 1.435 94 H CB 0.793 30.500 29.762 -0.092 0.000 1.428 94 H HN 0.317 nan 8.280 nan 0.000 0.590 95 P HA -0.111 nan 4.420 nan 0.000 0.225 95 P C 1.168 178.373 177.300 -0.159 0.000 1.148 95 P CA 0.922 63.799 63.100 -0.373 0.000 0.779 95 P CB 0.400 31.812 31.700 -0.480 0.000 0.780 96 L N -1.122 120.071 121.223 -0.050 0.000 2.607 96 L HA 0.161 4.501 4.340 -0.000 0.000 0.228 96 L C 0.831 177.546 176.870 -0.258 0.000 1.123 96 L CA -0.291 54.365 54.840 -0.306 0.000 0.890 96 L CB -0.727 40.969 42.059 -0.605 0.000 1.103 96 L HN -0.074 nan 8.230 nan 0.000 0.468 97 N N 1.248 119.900 118.700 -0.080 0.000 2.356 97 N HA 0.106 4.846 4.740 -0.000 0.000 0.252 97 N C 0.428 175.941 175.510 0.006 0.000 1.241 97 N CA -0.171 52.927 53.050 0.080 0.000 0.861 97 N CB 0.814 39.343 38.487 0.070 0.000 1.075 97 N HN 0.177 nan 8.380 nan 0.000 0.461 98 A N 2.863 125.688 122.820 0.008 0.000 2.406 98 A HA 0.175 4.495 4.320 -0.000 0.000 0.243 98 A C 0.474 178.042 177.584 -0.025 0.000 1.082 98 A CA -0.414 51.608 52.037 -0.025 0.000 0.786 98 A CB 0.204 19.180 19.000 -0.040 0.000 1.029 98 A HN 0.637 nan 8.150 nan 0.000 0.495 99 L N 1.571 122.776 121.223 -0.029 0.000 2.525 99 L HA 0.100 4.440 4.340 -0.000 0.000 0.278 99 L C 1.402 178.255 176.870 -0.029 0.000 1.218 99 L CA 0.046 54.869 54.840 -0.028 0.000 0.878 99 L CB -0.077 41.965 42.059 -0.030 0.000 1.127 99 L HN 0.966 nan 8.230 nan 0.000 0.492 100 T N -0.192 114.346 114.554 -0.027 0.000 2.816 100 T HA 0.376 4.726 4.350 -0.000 0.000 0.282 100 T C 1.205 175.884 174.700 -0.034 0.000 0.993 100 T CA -0.259 61.824 62.100 -0.027 0.000 0.994 100 T CB 1.505 70.360 68.868 -0.021 0.000 1.025 100 T HN 0.619 nan 8.240 nan 0.000 0.529 101 A N 0.622 123.422 122.820 -0.034 0.000 1.940 101 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 101 A C 2.071 179.629 177.584 -0.044 0.000 1.176 101 A CA 1.732 53.745 52.037 -0.041 0.000 0.631 101 A CB -1.037 17.942 19.000 -0.036 0.000 0.814 101 A HN 0.929 nan 8.150 nan 0.000 0.446 102 D N -0.344 120.035 120.400 -0.035 0.000 2.117 102 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 102 D C 1.903 178.180 176.300 -0.037 0.000 0.987 102 D CA 1.520 55.500 54.000 -0.034 0.000 0.829 102 D CB -0.298 40.488 40.800 -0.024 0.000 0.961 102 D HN 0.677 nan 8.370 nan 0.000 0.460 103 E N 0.368 120.547 120.200 -0.035 0.000 2.107 103 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 103 E C 2.378 178.949 176.600 -0.049 0.000 0.982 103 E CA 0.288 56.668 56.400 -0.034 0.000 0.809 103 E CB 0.073 29.756 29.700 -0.028 0.000 0.756 103 E HN 0.307 nan 8.360 nan 0.000 0.459 104 I N 1.322 121.855 120.570 -0.061 0.000 2.286 104 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 104 I C 2.206 178.251 176.117 -0.119 0.000 1.115 104 I CA 1.268 62.513 61.300 -0.091 0.000 1.392 104 I CB -0.152 37.792 38.000 -0.094 0.000 1.065 104 I HN 0.023 nan 8.210 nan 0.000 0.418 105 K N 0.093 120.435 120.400 -0.096 0.000 2.155 105 K HA -0.174 4.146 4.320 -0.000 0.000 0.203 105 K C 2.133 178.683 176.600 -0.083 0.000 1.052 105 K CA 0.807 57.034 56.287 -0.100 0.000 0.948 105 K CB -0.091 32.364 32.500 -0.076 0.000 0.728 105 K HN 0.348 nan 8.250 nan 0.000 0.448 106 Q N 0.695 120.459 119.800 -0.060 0.000 2.046 106 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 106 Q C 2.095 178.073 176.000 -0.036 0.000 0.975 106 Q CA 1.369 57.148 55.803 -0.041 0.000 0.836 106 Q CB -0.071 28.651 28.738 -0.027 0.000 0.896 106 Q HN 0.302 nan 8.270 nan 0.000 0.428 107 A N 0.086 122.882 122.820 -0.040 0.000 1.908 107 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 107 A C 2.184 179.756 177.584 -0.020 0.000 1.181 107 A CA 1.681 53.707 52.037 -0.018 0.000 0.627 107 A CB -0.781 18.203 19.000 -0.025 0.000 0.818 107 A HN 0.316 nan 8.150 nan 0.000 0.445 108 V N 0.024 119.874 119.914 -0.107 0.000 2.515 108 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 108 V C 2.353 178.401 176.094 -0.077 0.000 1.058 108 V CA 2.142 64.355 62.300 -0.145 0.000 1.064 108 V CB -0.791 30.837 31.823 -0.325 0.000 0.675 108 V HN 0.631 nan 8.190 nan 0.000 0.461 109 E N -0.034 120.122 120.200 -0.073 0.000 2.072 109 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 109 E C 2.214 178.790 176.600 -0.039 0.000 0.985 109 E CA 1.281 57.640 56.400 -0.068 0.000 0.801 109 E CB -0.149 29.519 29.700 -0.053 0.000 0.750 109 E HN 0.550 nan 8.360 nan 0.000 0.452 110 I N 1.137 121.709 120.570 0.003 0.000 2.179 110 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 110 I C 2.615 178.790 176.117 0.097 0.000 1.088 110 I CA 1.111 62.436 61.300 0.043 0.000 1.357 110 I CB -0.407 37.629 38.000 0.061 0.000 1.051 110 I HN 0.085 nan 8.210 nan 0.000 0.409 111 V N -1.840 118.172 119.914 0.164 0.000 2.809 111 V HA -0.127 3.993 4.120 -0.000 0.000 0.256 111 V C 2.086 178.286 176.094 0.176 0.000 1.080 111 V CA 1.277 63.791 62.300 0.357 0.000 1.102 111 V CB -0.825 31.316 31.823 0.530 0.000 0.705 111 V HN 0.331 nan 8.190 nan 0.000 0.475 112 K N 1.042 121.328 120.400 -0.190 0.000 2.366 112 K HA 0.268 4.588 4.320 -0.000 0.000 0.198 112 K C 2.079 178.550 176.600 -0.213 0.000 1.044 112 K CA 1.030 56.971 56.287 -0.577 0.000 0.973 112 K CB -0.168 31.988 32.500 -0.575 0.000 0.767 112 K HN 0.584 nan 8.250 nan 0.000 0.475 113 A N 0.973 123.743 122.820 -0.084 0.000 2.238 113 A HA 0.020 4.340 4.320 -0.000 0.000 0.208 113 A C 0.975 178.540 177.584 -0.032 0.000 1.177 113 A CA 0.119 52.128 52.037 -0.046 0.000 0.804 113 A CB 0.067 19.050 19.000 -0.028 0.000 0.823 113 A HN 0.130 nan 8.150 nan 0.000 0.482 114 S N -0.864 114.825 115.700 -0.018 0.000 2.584 114 S HA 0.486 4.956 4.470 -0.000 0.000 0.273 114 S C 1.261 175.792 174.600 -0.114 0.000 1.311 114 S CA -0.004 58.131 58.200 -0.107 0.000 1.034 114 S CB 1.238 64.293 63.200 -0.241 0.000 0.939 114 S HN 0.667 nan 8.310 nan 0.000 0.513 115 A N 3.115 125.835 122.820 -0.167 0.000 2.119 115 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 115 A C 1.512 179.000 177.584 -0.161 0.000 1.153 115 A CA 1.066 53.029 52.037 -0.123 0.000 0.692 115 A CB -0.349 18.581 19.000 -0.116 0.000 0.799 115 A HN 0.876 nan 8.150 nan 0.000 0.458 116 D N -1.340 118.843 120.400 -0.362 0.000 2.347 116 D HA 0.020 4.660 4.640 -0.000 0.000 0.213 116 D C 0.066 176.290 176.300 -0.127 0.000 0.985 116 D CA 0.113 53.879 54.000 -0.391 0.000 0.879 116 D CB -0.114 40.157 40.800 -0.881 0.000 0.919 116 D HN 0.423 nan 8.370 nan 0.000 0.526 117 F N 2.904 122.765 119.950 -0.149 0.000 2.533 117 F HA 0.044 4.571 4.527 -0.000 0.000 0.378 117 F C 0.639 176.486 175.800 0.080 0.000 1.070 117 F CA -0.322 57.773 58.000 0.159 0.000 1.172 117 F CB 0.395 39.508 39.000 0.188 0.000 1.085 117 F HN -0.446 nan 8.300 nan 0.000 0.552 118 K N 7.883 128.081 120.400 -0.337 0.000 2.144 118 K HA 0.226 4.546 4.320 -0.000 0.000 0.270 118 K C -1.601 174.911 176.600 -0.146 0.000 1.005 118 K CA -1.873 54.305 56.287 -0.182 0.000 0.932 118 K CB 0.759 33.146 32.500 -0.190 0.000 1.021 118 K HN 0.312 nan 8.250 nan 0.000 0.462 119 P HA -0.197 nan 4.420 nan 0.000 0.220 119 P C -0.094 177.268 177.300 0.104 0.000 1.155 119 P CA 1.677 64.844 63.100 0.112 0.000 0.880 119 P CB 0.187 31.925 31.700 0.064 0.000 0.790 120 N N -2.332 116.376 118.700 0.012 0.000 2.401 120 N HA 0.109 4.849 4.740 -0.000 0.000 0.264 120 N C -0.638 174.848 175.510 -0.041 0.000 1.238 120 N CA -0.124 52.942 53.050 0.026 0.000 0.889 120 N CB 0.248 38.752 38.487 0.029 0.000 1.196 120 N HN 0.017 nan 8.380 nan 0.000 0.511 121 T N 1.147 115.597 114.554 -0.173 0.000 2.916 121 T HA 0.157 4.507 4.350 -0.000 0.000 0.303 121 T C 0.628 175.175 174.700 -0.255 0.000 1.025 121 T CA 0.384 62.275 62.100 -0.350 0.000 1.142 121 T CB 0.947 69.298 68.868 -0.860 0.000 0.947 121 T HN 0.153 nan 8.240 nan 0.000 0.544 122 R N 0.880 121.226 120.500 -0.258 0.000 2.856 122 R HA 0.590 4.930 4.340 -0.000 0.000 0.258 122 R C -1.078 175.021 176.300 -0.335 0.000 1.066 122 R CA -0.753 55.285 56.100 -0.104 0.000 1.045 122 R CB 1.088 31.479 30.300 0.153 0.000 1.178 122 R HN 0.456 nan 8.270 nan 0.000 0.499 123 F N 0.060 120.086 119.950 0.127 0.000 2.403 123 F HA 0.192 4.719 4.527 -0.000 0.000 0.355 123 F C 1.481 177.343 175.800 0.103 0.000 1.119 123 F CA -0.742 57.316 58.000 0.096 0.000 1.007 123 F CB 1.811 40.861 39.000 0.083 0.000 1.194 123 F HN 0.623 nan 8.300 nan 0.000 0.443 124 T N -1.690 112.977 114.554 0.189 0.000 2.904 124 T HA 0.004 4.353 4.350 -0.000 0.000 0.267 124 T C 0.381 175.166 174.700 0.142 0.000 1.059 124 T CA 0.842 63.029 62.100 0.145 0.000 1.137 124 T CB 0.181 69.107 68.868 0.095 0.000 0.879 124 T HN 0.591 nan 8.240 nan 0.000 0.467 125 E N -0.465 119.831 120.200 0.160 0.000 2.388 125 E HA 0.494 4.844 4.350 -0.000 0.000 0.289 125 E C -1.986 174.689 176.600 0.126 0.000 0.944 125 E CA -0.674 55.798 56.400 0.120 0.000 0.792 125 E CB 1.812 31.559 29.700 0.077 0.000 1.239 125 E HN 0.357 nan 8.360 nan 0.000 0.412 126 I N 3.147 123.767 120.570 0.083 0.000 2.493 126 I HA 0.331 4.500 4.170 -0.000 0.000 0.279 126 I C -0.689 175.441 176.117 0.022 0.000 1.045 126 I CA -0.297 61.033 61.300 0.051 0.000 1.106 126 I CB 1.611 39.605 38.000 -0.010 0.000 1.216 126 I HN 0.277 nan 8.210 nan 0.000 0.459 127 S N 4.636 120.352 115.700 0.026 0.000 2.667 127 S HA 0.573 5.043 4.470 -0.000 0.000 0.292 127 S C -0.709 173.893 174.600 0.003 0.000 1.126 127 S CA -0.673 57.532 58.200 0.009 0.000 0.881 127 S CB 2.412 65.622 63.200 0.017 0.000 1.132 127 S HN 0.451 nan 8.310 nan 0.000 0.492 128 L N 2.145 123.360 121.223 -0.012 0.000 2.453 128 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 128 L C -0.671 176.192 176.870 -0.012 0.000 1.182 128 L CA -0.133 54.696 54.840 -0.018 0.000 0.858 128 L CB 0.138 42.175 42.059 -0.036 0.000 1.120 128 L HN 0.557 nan 8.230 nan 0.000 0.474 129 L N 8.871 130.090 121.223 -0.005 0.000 2.270 129 L HA 0.540 4.880 4.340 -0.000 0.000 0.286 129 L C -2.204 174.662 176.870 -0.006 0.000 1.059 129 L CA -2.124 52.716 54.840 0.000 0.000 0.839 129 L CB 0.186 42.251 42.059 0.010 0.000 1.221 129 L HN 0.547 nan 8.230 nan 0.000 0.431 130 P HA 0.175 nan 4.420 nan 0.000 0.265 130 P C -2.531 174.777 177.300 0.014 0.000 1.193 130 P CA -0.744 62.351 63.100 -0.007 0.000 0.765 130 P CB -0.075 31.627 31.700 0.002 0.000 0.823 131 P HA 0.052 nan 4.420 nan 0.000 0.275 131 P C -0.584 176.739 177.300 0.039 0.000 1.270 131 P CA -0.076 63.031 63.100 0.012 0.000 0.791 131 P CB 0.051 31.745 31.700 -0.010 0.000 1.089 132 D N -1.209 119.213 120.400 0.036 0.000 2.399 132 D HA 0.016 4.656 4.640 -0.000 0.000 0.241 132 D C 1.068 177.370 176.300 0.003 0.000 1.133 132 D CA -0.418 53.608 54.000 0.043 0.000 0.890 132 D CB 0.559 41.383 40.800 0.041 0.000 1.201 132 D HN 0.278 nan 8.370 nan 0.000 0.432 133 K N 1.121 121.475 120.400 -0.078 0.000 2.089 133 K HA -0.341 3.979 4.320 -0.000 0.000 0.210 133 K C 1.709 178.149 176.600 -0.266 0.000 1.048 133 K CA 1.757 57.779 56.287 -0.443 0.000 0.926 133 K CB -0.011 31.990 32.500 -0.832 0.000 0.714 133 K HN 0.685 nan 8.250 nan 0.000 0.448 134 E N -0.301 119.851 120.200 -0.080 0.000 2.051 134 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 134 E C 1.827 178.482 176.600 0.092 0.000 0.991 134 E CA 1.142 57.565 56.400 0.040 0.000 0.799 134 E CB -0.173 29.548 29.700 0.035 0.000 0.748 134 E HN 0.457 nan 8.360 nan 0.000 0.449 135 A N 0.496 123.353 122.820 0.061 0.000 1.933 135 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 135 A C 2.391 180.042 177.584 0.112 0.000 1.175 135 A CA 1.461 53.547 52.037 0.081 0.000 0.628 135 A CB -0.619 18.411 19.000 0.051 0.000 0.814 135 A HN 0.230 nan 8.150 nan 0.000 0.444 136 V N -2.200 117.762 119.914 0.081 0.000 2.295 136 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 136 V C 2.233 178.448 176.094 0.201 0.000 1.049 136 V CA 1.804 64.150 62.300 0.077 0.000 1.024 136 V CB -1.105 30.776 31.823 0.097 0.000 0.648 136 V HN 0.797 nan 8.190 nan 0.000 0.447 137 W N -0.023 121.368 121.300 0.152 0.000 2.342 137 W HA -0.193 4.467 4.660 -0.000 0.000 0.297 137 W C 2.566 179.146 176.519 0.102 0.000 1.213 137 W CA 0.929 58.356 57.345 0.136 0.000 1.251 137 W CB -0.192 29.296 29.460 0.046 0.000 1.136 137 W HN 0.231 nan 8.180 nan 0.000 0.526 138 A N -0.580 122.434 122.820 0.324 0.000 1.969 138 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 138 A C 1.610 179.296 177.584 0.170 0.000 1.169 138 A CA 1.402 53.556 52.037 0.194 0.000 0.635 138 A CB -1.101 17.979 19.000 0.134 0.000 0.810 138 A HN 0.412 nan 8.150 nan 0.000 0.445 139 F N 0.896 120.876 119.950 0.050 0.000 2.113 139 F HA 0.029 4.556 4.527 -0.000 0.000 0.297 139 F C 2.436 178.238 175.800 0.003 0.000 1.103 139 F CA 1.253 59.241 58.000 -0.021 0.000 1.248 139 F CB -0.386 38.535 39.000 -0.131 0.000 0.999 139 F HN 0.221 nan 8.300 nan 0.000 0.475 140 A N 0.228 123.226 122.820 0.298 0.000 1.969 140 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 140 A C 2.146 179.837 177.584 0.180 0.000 1.169 140 A CA 1.645 53.845 52.037 0.271 0.000 0.635 140 A CB -0.901 18.367 19.000 0.447 0.000 0.810 140 A HN 0.500 nan 8.150 nan 0.000 0.445 141 L N -1.839 119.499 121.223 0.192 0.000 2.463 141 L HA 0.122 4.462 4.340 -0.000 0.000 0.219 141 L C 1.507 178.390 176.870 0.022 0.000 1.088 141 L CA 0.693 55.598 54.840 0.108 0.000 0.849 141 L CB 0.052 42.172 42.059 0.100 0.000 1.012 141 L HN 0.376 nan 8.230 nan 0.000 0.468 142 E N -1.222 118.971 120.200 -0.011 0.000 2.676 142 E HA 0.130 4.480 4.350 -0.000 0.000 0.225 142 E C -0.220 176.312 176.600 -0.113 0.000 0.944 142 E CA -0.159 56.214 56.400 -0.045 0.000 1.156 142 E CB 0.669 30.362 29.700 -0.012 0.000 1.117 142 E HN 0.208 nan 8.360 nan 0.000 0.523 143 N N 1.583 120.141 118.700 -0.237 0.000 2.828 143 N HA -0.201 4.539 4.740 -0.000 0.000 0.248 143 N C -0.068 175.285 175.510 -0.262 0.000 1.044 143 N CA 0.999 53.805 53.050 -0.408 0.000 0.851 143 N CB -1.020 37.307 38.487 -0.267 0.000 1.136 143 N HN 0.239 nan 8.380 nan 0.000 0.572 144 K N 1.892 122.221 120.400 -0.118 0.000 2.383 144 K HA 0.191 4.511 4.320 -0.000 0.000 0.286 144 K C -2.404 174.253 176.600 0.095 0.000 1.051 144 K CA -1.046 55.238 56.287 -0.004 0.000 0.974 144 K CB 0.642 33.160 32.500 0.030 0.000 0.968 144 K HN -0.150 nan 8.250 nan 0.000 0.475 145 P HA -0.063 nan 4.420 nan 0.000 0.268 145 P C -1.052 176.334 177.300 0.143 0.000 1.205 145 P CA -0.323 62.883 63.100 0.175 0.000 0.771 145 P CB 0.672 32.433 31.700 0.101 0.000 0.858 146 V N 3.929 123.922 119.914 0.131 0.000 2.356 146 V HA 0.018 4.138 4.120 -0.000 0.000 0.258 146 V C 0.996 177.111 176.094 0.036 0.000 1.065 146 V CA 0.411 62.745 62.300 0.056 0.000 0.935 146 V CB 0.023 31.835 31.823 -0.019 0.000 1.061 146 V HN 0.574 nan 8.190 nan 0.000 0.484 147 D N 5.418 125.840 120.400 0.037 0.000 2.994 147 D HA 0.170 4.810 4.640 -0.000 0.000 0.240 147 D C 0.052 176.364 176.300 0.020 0.000 1.195 147 D CA 0.148 54.165 54.000 0.028 0.000 0.957 147 D CB 0.211 41.029 40.800 0.030 0.000 1.105 147 D HN 0.649 nan 8.370 nan 0.000 0.477 148 Q N 1.334 121.142 119.800 0.012 0.000 2.315 148 Q HA 0.360 4.699 4.340 -0.000 0.000 0.273 148 Q C -2.401 173.600 176.000 0.002 0.000 1.053 148 Q CA -1.750 54.058 55.803 0.009 0.000 0.817 148 Q CB 2.785 31.528 28.738 0.008 0.000 1.326 148 Q HN 0.161 nan 8.270 nan 0.000 0.423 149 P HA 0.033 nan 4.420 nan 0.000 0.268 149 P C -0.674 176.624 177.300 -0.003 0.000 1.205 149 P CA -0.208 62.893 63.100 0.002 0.000 0.771 149 P CB 0.745 32.450 31.700 0.008 0.000 0.858 150 R N 2.840 123.335 120.500 -0.008 0.000 2.449 150 R HA 0.176 4.516 4.340 -0.000 0.000 0.296 150 R C 0.552 176.850 176.300 -0.003 0.000 1.047 150 R CA 0.386 56.479 56.100 -0.013 0.000 1.018 150 R CB 0.238 30.528 30.300 -0.017 0.000 0.962 150 R HN 0.528 nan 8.270 nan 0.000 0.428 151 K N 0.838 121.237 120.400 -0.002 0.000 2.340 151 K HA 0.701 5.021 4.320 -0.000 0.000 0.244 151 K C -0.983 175.622 176.600 0.007 0.000 0.973 151 K CA -0.784 55.508 56.287 0.008 0.000 0.828 151 K CB 2.425 34.933 32.500 0.014 0.000 1.226 151 K HN 0.606 nan 8.250 nan 0.000 0.437 152 A N 1.534 124.364 122.820 0.017 0.000 2.449 152 A HA 0.393 4.713 4.320 -0.000 0.000 0.302 152 A C -1.442 176.162 177.584 0.033 0.000 1.048 152 A CA -0.830 51.218 52.037 0.018 0.000 0.708 152 A CB 1.012 20.020 19.000 0.013 0.000 1.274 152 A HN 0.645 nan 8.150 nan 0.000 0.410 153 D N 1.272 121.693 120.400 0.034 0.000 2.264 153 D HA 0.438 5.078 4.640 -0.000 0.000 0.250 153 D C -0.742 175.594 176.300 0.061 0.000 1.113 153 D CA 0.293 54.320 54.000 0.045 0.000 0.871 153 D CB 1.841 42.668 40.800 0.045 0.000 1.167 153 D HN 0.154 nan 8.370 nan 0.000 0.447 154 V N 4.509 124.465 119.914 0.070 0.000 2.380 154 V HA 0.313 4.433 4.120 -0.000 0.000 0.286 154 V C 0.261 176.403 176.094 0.081 0.000 1.015 154 V CA -0.673 61.699 62.300 0.119 0.000 0.834 154 V CB 1.230 33.152 31.823 0.165 0.000 1.009 154 V HN 0.372 nan 8.190 nan 0.000 0.428 155 I N 5.824 126.457 120.570 0.106 0.000 2.321 155 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 155 I C -0.021 176.109 176.117 0.023 0.000 0.998 155 I CA -0.079 61.252 61.300 0.052 0.000 1.227 155 I CB 1.403 39.466 38.000 0.105 0.000 1.368 155 I HN 0.459 nan 8.210 nan 0.000 0.466 156 M N 6.443 125.966 119.600 -0.128 0.000 2.537 156 M HA 0.476 4.956 4.480 -0.000 0.000 0.324 156 M C -1.036 175.134 176.300 -0.218 0.000 1.187 156 M CA -0.855 54.289 55.300 -0.260 0.000 0.993 156 M CB 2.445 34.794 32.600 -0.418 0.000 1.666 156 M HN 0.338 nan 8.290 nan 0.000 0.461 157 L N 2.376 123.464 121.223 -0.226 0.000 2.388 157 L HA 0.385 4.725 4.340 -0.000 0.000 0.267 157 L C -1.222 175.550 176.870 -0.164 0.000 0.995 157 L CA -0.197 54.555 54.840 -0.147 0.000 0.864 157 L CB 0.897 42.911 42.059 -0.076 0.000 1.216 157 L HN 0.574 nan 8.230 nan 0.000 0.430 158 D N 4.306 124.622 120.400 -0.140 0.000 2.468 158 D HA 0.539 5.179 4.640 -0.000 0.000 0.218 158 D C 1.098 177.395 176.300 -0.006 0.000 1.155 158 D CA 0.915 54.837 54.000 -0.129 0.000 0.924 158 D CB 0.548 41.252 40.800 -0.159 0.000 1.029 158 D HN 0.833 nan 8.370 nan 0.000 0.515 159 G N 4.944 113.733 108.800 -0.018 0.000 4.026 159 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.309 159 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.309 159 G C 0.856 175.760 174.900 0.007 0.000 1.411 159 G CA 0.808 45.922 45.100 0.024 0.000 1.037 159 G HN 0.675 nan 8.290 nan 0.000 0.687 160 K N 0.663 121.071 120.400 0.014 0.000 2.477 160 K HA 0.396 4.716 4.320 -0.000 0.000 0.208 160 K C 0.157 176.597 176.600 -0.266 0.000 1.117 160 K CA 0.030 56.237 56.287 -0.134 0.000 1.039 160 K CB 0.439 32.824 32.500 -0.193 0.000 0.937 160 K HN 0.598 nan 8.250 nan 0.000 0.570 161 H N 1.227 120.211 119.070 -0.143 0.000 2.502 161 H HA 0.292 4.848 4.556 -0.000 0.000 0.327 161 H C -0.334 174.874 175.328 -0.200 0.000 1.099 161 H CA -0.571 55.372 56.048 -0.175 0.000 1.323 161 H CB 1.034 30.710 29.762 -0.143 0.000 1.450 161 H HN 0.015 nan 8.280 nan 0.000 0.502 162 I N 4.188 124.666 120.570 -0.154 0.000 2.353 162 I HA 0.175 4.345 4.170 -0.000 0.000 0.293 162 I C -0.287 175.704 176.117 -0.209 0.000 0.992 162 I CA -0.474 60.695 61.300 -0.217 0.000 1.268 162 I CB 0.623 38.388 38.000 -0.391 0.000 1.387 162 I HN 0.462 nan 8.210 nan 0.000 0.478 163 I N 5.938 126.363 120.570 -0.241 0.000 2.466 163 I HA 0.300 4.470 4.170 -0.000 0.000 0.289 163 I C 0.065 175.981 176.117 -0.335 0.000 1.026 163 I CA -0.448 60.646 61.300 -0.343 0.000 1.078 163 I CB 1.729 39.394 38.000 -0.558 0.000 1.249 163 I HN 0.432 nan 8.210 nan 0.000 0.429 164 E N 4.366 124.402 120.200 -0.273 0.000 2.151 164 E HA 0.808 5.158 4.350 -0.000 0.000 0.275 164 E C -0.878 175.589 176.600 -0.221 0.000 0.936 164 E CA -0.745 55.559 56.400 -0.160 0.000 0.777 164 E CB 1.947 31.632 29.700 -0.025 0.000 1.108 164 E HN 0.695 nan 8.360 nan 0.000 0.401 165 A N 2.582 125.304 122.820 -0.162 0.000 2.454 165 A HA 0.700 5.020 4.320 -0.000 0.000 0.302 165 A C -1.118 176.480 177.584 0.024 0.000 1.079 165 A CA -0.607 51.383 52.037 -0.079 0.000 0.731 165 A CB 1.612 20.546 19.000 -0.111 0.000 1.299 165 A HN 0.375 nan 8.150 nan 0.000 0.413 166 V N 1.420 121.376 119.914 0.070 0.000 2.588 166 V HA 0.651 4.771 4.120 -0.000 0.000 0.304 166 V C -0.218 175.928 176.094 0.086 0.000 1.042 166 V CA -0.443 61.898 62.300 0.067 0.000 0.877 166 V CB 1.531 33.387 31.823 0.056 0.000 0.996 166 V HN 1.230 nan 8.190 nan 0.000 0.425 167 V N 0.341 120.298 119.914 0.071 0.000 2.864 167 V HA 0.717 4.837 4.120 -0.000 0.000 0.314 167 V C -0.781 175.340 176.094 0.046 0.000 1.073 167 V CA -0.669 61.673 62.300 0.069 0.000 0.956 167 V CB 2.231 34.097 31.823 0.072 0.000 1.023 167 V HN 0.794 nan 8.190 nan 0.000 0.435 168 D N 2.381 122.805 120.400 0.041 0.000 2.454 168 D HA 0.396 5.036 4.640 -0.000 0.000 0.225 168 D C 0.837 177.150 176.300 0.020 0.000 1.081 168 D CA -0.206 53.811 54.000 0.028 0.000 0.864 168 D CB 1.524 42.340 40.800 0.027 0.000 1.040 168 D HN 0.647 nan 8.370 nan 0.000 0.517 169 L N 2.760 123.991 121.223 0.013 0.000 2.109 169 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 169 L C 2.475 179.347 176.870 0.004 0.000 1.086 169 L CA 0.763 55.606 54.840 0.006 0.000 0.760 169 L CB -0.164 41.894 42.059 -0.001 0.000 0.910 169 L HN 0.476 nan 8.230 nan 0.000 0.437 170 Q N 0.208 120.011 119.800 0.005 0.000 2.119 170 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 170 Q C 1.288 177.292 176.000 0.007 0.000 0.972 170 Q CA 1.232 57.038 55.803 0.004 0.000 0.847 170 Q CB 0.261 29.002 28.738 0.005 0.000 0.903 170 Q HN 0.508 nan 8.270 nan 0.000 0.433 171 N N 0.540 119.246 118.700 0.010 0.000 2.205 171 N HA -0.013 4.727 4.740 -0.000 0.000 0.201 171 N C -0.554 174.963 175.510 0.011 0.000 1.128 171 N CA 0.195 53.252 53.050 0.011 0.000 0.867 171 N CB 0.367 38.862 38.487 0.013 0.000 0.996 171 N HN 0.233 nan 8.380 nan 0.000 0.503 172 N N 1.761 120.468 118.700 0.012 0.000 2.688 172 N HA -0.222 4.518 4.740 -0.000 0.000 0.258 172 N C -1.129 174.393 175.510 0.019 0.000 1.016 172 N CA 0.826 53.884 53.050 0.013 0.000 0.747 172 N CB -0.942 37.548 38.487 0.006 0.000 0.895 172 N HN 0.490 nan 8.380 nan 0.000 0.543 173 K N -0.739 119.678 120.400 0.028 0.000 2.502 173 K HA 0.546 4.866 4.320 -0.000 0.000 0.257 173 K C -1.035 175.598 176.600 0.054 0.000 0.938 173 K CA -1.251 55.057 56.287 0.035 0.000 0.819 173 K CB 1.296 33.813 32.500 0.029 0.000 1.333 173 K HN 0.024 nan 8.250 nan 0.000 0.434 174 L N 3.981 125.246 121.223 0.069 0.000 2.361 174 L HA 0.184 4.524 4.340 -0.000 0.000 0.278 174 L C 0.220 177.148 176.870 0.096 0.000 1.113 174 L CA -0.021 54.883 54.840 0.106 0.000 0.849 174 L CB 0.287 42.429 42.059 0.138 0.000 1.155 174 L HN 0.889 nan 8.230 nan 0.000 0.452 175 L N 3.015 124.297 121.223 0.099 0.000 2.221 175 L HA 0.233 4.572 4.340 -0.000 0.000 0.202 175 L C 0.629 177.560 176.870 0.102 0.000 1.074 175 L CA 0.580 55.469 54.840 0.083 0.000 0.795 175 L CB -0.277 41.821 42.059 0.064 0.000 0.960 175 L HN 0.812 nan 8.230 nan 0.000 0.458 176 S N -2.299 113.483 115.700 0.136 0.000 2.570 176 S HA 0.432 4.902 4.470 -0.000 0.000 0.270 176 S C -1.875 172.877 174.600 0.253 0.000 1.149 176 S CA -0.704 57.593 58.200 0.161 0.000 0.837 176 S CB 2.365 65.629 63.200 0.105 0.000 1.124 176 S HN 0.228 nan 8.310 nan 0.000 0.465 177 W N 2.320 123.643 121.300 0.037 0.000 2.642 177 W HA 0.373 5.033 4.660 -0.000 0.000 0.304 177 W C -1.803 174.731 176.519 0.025 0.000 1.023 177 W CA -0.224 57.144 57.345 0.038 0.000 1.290 177 W CB 1.454 30.937 29.460 0.039 0.000 1.190 177 W HN 0.775 nan 8.180 nan 0.000 0.374 178 Q N 5.580 125.365 119.800 -0.025 0.000 2.357 178 Q HA 0.352 4.691 4.340 -0.000 0.000 0.266 178 Q C -2.325 173.626 176.000 -0.082 0.000 1.021 178 Q CA -1.814 53.992 55.803 0.005 0.000 0.784 178 Q CB 2.478 31.227 28.738 0.018 0.000 1.243 178 Q HN 0.168 nan 8.270 nan 0.000 0.465 179 P HA 0.141 nan 4.420 nan 0.000 0.271 179 P C -0.454 176.807 177.300 -0.065 0.000 1.216 179 P CA -0.134 62.935 63.100 -0.052 0.000 0.776 179 P CB 0.710 32.425 31.700 0.025 0.000 0.881 180 I N 2.829 123.325 120.570 -0.123 0.000 2.330 180 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 180 I C 0.605 176.622 176.117 -0.166 0.000 1.025 180 I CA -1.164 60.045 61.300 -0.152 0.000 1.197 180 I CB 0.722 38.554 38.000 -0.279 0.000 1.358 180 I HN 0.257 nan 8.210 nan 0.000 0.467 181 K N 6.126 126.465 120.400 -0.102 0.000 2.451 181 K HA 0.030 4.350 4.320 -0.000 0.000 0.280 181 K C 0.566 177.083 176.600 -0.138 0.000 1.020 181 K CA 0.782 57.013 56.287 -0.094 0.000 1.008 181 K CB 0.211 32.683 32.500 -0.046 0.000 0.917 181 K HN 0.547 nan 8.250 nan 0.000 0.478 182 D N 0.503 120.796 120.400 -0.178 0.000 2.978 182 D HA -0.232 4.408 4.640 -0.000 0.000 0.205 182 D C -0.692 175.423 176.300 -0.309 0.000 1.093 182 D CA 1.552 55.419 54.000 -0.222 0.000 1.006 182 D CB -1.276 39.454 40.800 -0.118 0.000 1.116 182 D HN 0.604 nan 8.370 nan 0.000 0.419 183 A N 0.920 123.525 122.820 -0.359 0.000 2.320 183 A HA 0.397 4.717 4.320 -0.000 0.000 0.287 183 A C 0.228 177.535 177.584 -0.462 0.000 1.181 183 A CA -0.138 51.645 52.037 -0.422 0.000 0.831 183 A CB 0.544 19.086 19.000 -0.764 0.000 1.102 183 A HN 0.171 nan 8.150 nan 0.000 0.513 184 H N 1.291 120.230 119.070 -0.218 0.000 2.487 184 H HA 0.409 4.964 4.556 -0.000 0.000 0.333 184 H C 0.891 176.146 175.328 -0.123 0.000 1.114 184 H CA 0.611 56.556 56.048 -0.171 0.000 1.310 184 H CB 1.685 31.370 29.762 -0.128 0.000 1.462 184 H HN 0.841 nan 8.280 nan 0.000 0.516 185 G N 1.863 110.661 108.800 -0.003 0.000 2.504 185 G HA2 0.363 4.323 3.960 -0.000 0.000 0.288 185 G HA3 0.363 4.323 3.960 -0.000 0.000 0.288 185 G C 0.634 175.541 174.900 0.012 0.000 1.182 185 G CA -0.729 44.376 45.100 0.009 0.000 0.894 185 G HN 0.647 nan 8.290 nan 0.000 0.521 186 M N 0.117 119.720 119.600 0.005 0.000 2.113 186 M HA 0.440 4.920 4.480 -0.000 0.000 0.288 186 M C -0.286 175.952 176.300 -0.103 0.000 1.225 186 M CA -0.367 54.894 55.300 -0.065 0.000 1.148 186 M CB 0.377 32.944 32.600 -0.057 0.000 1.388 186 M HN 0.109 nan 8.290 nan 0.000 0.469 187 V N 2.345 122.130 119.914 -0.216 0.000 2.530 187 V HA 0.287 4.407 4.120 -0.000 0.000 0.282 187 V C 0.324 176.400 176.094 -0.030 0.000 1.048 187 V CA -0.337 61.857 62.300 -0.177 0.000 0.997 187 V CB 0.636 32.228 31.823 -0.386 0.000 0.987 187 V HN 0.629 nan 8.190 nan 0.000 0.477 188 L N 4.584 125.807 121.223 0.000 0.000 2.334 188 L HA 0.434 4.774 4.340 -0.000 0.000 0.270 188 L C 1.241 178.058 176.870 -0.088 0.000 1.018 188 L CA -0.752 54.049 54.840 -0.064 0.000 0.811 188 L CB 1.586 43.570 42.059 -0.124 0.000 1.271 188 L HN 0.524 nan 8.230 nan 0.000 0.443 189 L N 0.886 121.898 121.223 -0.352 0.000 2.051 189 L HA -0.257 4.083 4.340 -0.000 0.000 0.214 189 L C 2.150 178.861 176.870 -0.265 0.000 1.076 189 L CA 1.649 56.237 54.840 -0.420 0.000 0.758 189 L CB -0.543 41.249 42.059 -0.444 0.000 0.890 189 L HN 0.859 nan 8.230 nan 0.000 0.433 190 D N -0.843 119.254 120.400 -0.506 0.000 2.309 190 D HA -0.219 4.421 4.640 -0.000 0.000 0.212 190 D C 1.360 177.654 176.300 -0.011 0.000 0.968 190 D CA 1.069 54.960 54.000 -0.182 0.000 0.882 190 D CB -0.454 40.272 40.800 -0.123 0.000 0.918 190 D HN 0.351 nan 8.370 nan 0.000 0.503 191 D N -0.083 120.337 120.400 0.032 0.000 2.178 191 D HA -0.097 4.543 4.640 -0.000 0.000 0.202 191 D C 1.757 178.112 176.300 0.091 0.000 0.974 191 D CA 0.470 54.501 54.000 0.051 0.000 0.841 191 D CB -0.397 40.414 40.800 0.018 0.000 0.953 191 D HN 0.234 nan 8.370 nan 0.000 0.478 192 F N 1.676 121.591 119.950 -0.058 0.000 2.134 192 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 192 F C 2.537 178.312 175.800 -0.042 0.000 1.097 192 F CA 0.860 58.844 58.000 -0.027 0.000 1.264 192 F CB -0.819 38.178 39.000 -0.004 0.000 1.001 192 F HN -0.074 nan 8.300 nan 0.000 0.479 193 A N -0.843 122.074 122.820 0.162 0.000 1.929 193 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 193 A C 2.382 179.978 177.584 0.020 0.000 1.176 193 A CA 1.638 53.717 52.037 0.071 0.000 0.628 193 A CB -1.013 18.023 19.000 0.060 0.000 0.816 193 A HN 0.294 nan 8.150 nan 0.000 0.444 194 S N -0.075 115.633 115.700 0.013 0.000 2.353 194 S HA -0.174 4.296 4.470 -0.000 0.000 0.222 194 S C 1.920 176.488 174.600 -0.052 0.000 1.035 194 S CA 1.571 59.761 58.200 -0.017 0.000 1.025 194 S CB -0.688 62.500 63.200 -0.019 0.000 0.902 194 S HN 0.334 nan 8.310 nan 0.000 0.440 195 V N 1.897 121.768 119.914 -0.072 0.000 2.252 195 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 195 V C 2.674 178.682 176.094 -0.143 0.000 1.056 195 V CA 2.297 64.523 62.300 -0.124 0.000 1.022 195 V CB -0.797 30.934 31.823 -0.152 0.000 0.641 195 V HN 0.405 nan 8.190 nan 0.000 0.445 196 Q N 0.560 120.297 119.800 -0.106 0.000 2.084 196 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 196 Q C 2.101 178.041 176.000 -0.100 0.000 0.978 196 Q CA 2.165 57.902 55.803 -0.111 0.000 0.844 196 Q CB -0.608 28.090 28.738 -0.068 0.000 0.898 196 Q HN 0.688 nan 8.270 nan 0.000 0.426 197 N N -0.179 118.480 118.700 -0.068 0.000 2.142 197 N HA -0.104 4.635 4.740 -0.000 0.000 0.186 197 N C 1.777 177.246 175.510 -0.069 0.000 1.023 197 N CA 1.346 54.364 53.050 -0.052 0.000 0.852 197 N CB -0.077 38.394 38.487 -0.027 0.000 0.998 197 N HN 0.396 nan 8.380 nan 0.000 0.424 198 I N 0.456 120.973 120.570 -0.089 0.000 2.226 198 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 198 I C 2.027 178.058 176.117 -0.144 0.000 1.100 198 I CA 0.700 61.940 61.300 -0.100 0.000 1.374 198 I CB -0.161 37.776 38.000 -0.106 0.000 1.057 198 I HN 0.059 nan 8.210 nan 0.000 0.413 199 I N 1.103 121.533 120.570 -0.234 0.000 2.226 199 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 199 I C 2.094 178.108 176.117 -0.172 0.000 1.100 199 I CA 1.743 62.810 61.300 -0.388 0.000 1.374 199 I CB -0.768 36.827 38.000 -0.674 0.000 1.057 199 I HN 0.230 nan 8.210 nan 0.000 0.413 200 N N 0.313 118.952 118.700 -0.102 0.000 2.104 200 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 200 N C 1.069 176.580 175.510 0.001 0.000 1.024 200 N CA 1.440 54.476 53.050 -0.023 0.000 0.853 200 N CB -0.376 38.096 38.487 -0.026 0.000 1.008 200 N HN 0.519 nan 8.380 nan 0.000 0.424 201 N N 0.113 118.803 118.700 -0.016 0.000 2.449 201 N HA -0.005 4.735 4.740 -0.000 0.000 0.191 201 N C -0.357 175.159 175.510 0.009 0.000 1.161 201 N CA -0.237 52.811 53.050 -0.003 0.000 0.863 201 N CB 0.360 38.840 38.487 -0.012 0.000 0.980 201 N HN -0.025 nan 8.380 nan 0.000 0.458 202 S N 1.652 117.366 115.700 0.023 0.000 2.411 202 S HA 0.031 4.501 4.470 -0.000 0.000 0.294 202 S C 1.358 176.014 174.600 0.093 0.000 1.115 202 S CA -0.815 57.419 58.200 0.056 0.000 1.071 202 S CB 0.552 63.795 63.200 0.072 0.000 0.967 202 S HN 0.219 nan 8.310 nan 0.000 0.488 203 E N 5.411 125.645 120.200 0.057 0.000 2.051 203 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 203 E C 1.139 177.769 176.600 0.049 0.000 0.991 203 E CA 1.467 57.893 56.400 0.044 0.000 0.799 203 E CB -0.658 29.056 29.700 0.024 0.000 0.748 203 E HN 0.876 nan 8.360 nan 0.000 0.449 204 E N 0.356 120.591 120.200 0.057 0.000 2.023 204 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 204 E C 2.011 178.648 176.600 0.062 0.000 1.003 204 E CA 1.452 57.882 56.400 0.050 0.000 0.809 204 E CB -0.501 29.232 29.700 0.056 0.000 0.755 204 E HN 0.225 nan 8.360 nan 0.000 0.449 205 F N 1.510 121.444 119.950 -0.028 0.000 2.095 205 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 205 F C 2.303 178.086 175.800 -0.028 0.000 1.104 205 F CA 1.524 59.505 58.000 -0.032 0.000 1.232 205 F CB -0.414 38.563 39.000 -0.038 0.000 0.987 205 F HN -0.020 nan 8.300 nan 0.000 0.475 206 A N 0.084 122.952 122.820 0.079 0.000 1.940 206 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 206 A C 2.386 179.915 177.584 -0.092 0.000 1.176 206 A CA 1.960 53.994 52.037 -0.005 0.000 0.631 206 A CB -1.525 17.502 19.000 0.046 0.000 0.814 206 A HN 0.503 nan 8.150 nan 0.000 0.446 207 A N -0.290 122.486 122.820 -0.072 0.000 1.897 207 A HA 0.242 4.562 4.320 -0.000 0.000 0.215 207 A C 2.516 180.022 177.584 -0.130 0.000 1.181 207 A CA 1.853 53.844 52.037 -0.077 0.000 0.620 207 A CB -1.046 17.927 19.000 -0.045 0.000 0.821 207 A HN 1.076 nan 8.150 nan 0.000 0.443 208 A N -0.453 122.254 122.820 -0.188 0.000 1.940 208 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 208 A C 2.215 179.614 177.584 -0.308 0.000 1.176 208 A CA 1.972 53.863 52.037 -0.243 0.000 0.631 208 A CB -0.885 17.932 19.000 -0.305 0.000 0.814 208 A HN 0.402 nan 8.150 nan 0.000 0.446 209 V N -0.034 119.626 119.914 -0.424 0.000 2.379 209 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 209 V C 2.513 178.500 176.094 -0.177 0.000 1.044 209 V CA 2.284 64.373 62.300 -0.351 0.000 1.036 209 V CB -0.607 30.988 31.823 -0.380 0.000 0.664 209 V HN 0.625 nan 8.190 nan 0.000 0.453 210 K N 1.393 121.711 120.400 -0.136 0.000 2.063 210 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 210 K C 2.141 178.699 176.600 -0.071 0.000 1.048 210 K CA 1.881 58.120 56.287 -0.080 0.000 0.928 210 K CB -0.475 31.988 32.500 -0.062 0.000 0.713 210 K HN 0.410 nan 8.250 nan 0.000 0.442 211 K N 0.276 120.626 120.400 -0.083 0.000 2.152 211 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 211 K C 1.328 177.894 176.600 -0.057 0.000 1.048 211 K CA 1.447 57.696 56.287 -0.065 0.000 0.933 211 K CB -0.006 32.451 32.500 -0.072 0.000 0.721 211 K HN 0.132 nan 8.250 nan 0.000 0.447 212 R N -1.130 119.327 120.500 -0.072 0.000 2.334 212 R HA 0.084 4.423 4.340 -0.000 0.000 0.220 212 R C 0.817 177.098 176.300 -0.032 0.000 0.917 212 R CA 0.479 56.548 56.100 -0.052 0.000 1.073 212 R CB 0.639 30.899 30.300 -0.068 0.000 1.056 212 R HN 0.506 nan 8.270 nan 0.000 0.506 213 G N 0.923 109.704 108.800 -0.033 0.000 2.179 213 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 213 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 213 G C -0.068 174.822 174.900 -0.017 0.000 0.990 213 G CA -0.604 44.485 45.100 -0.018 0.000 0.646 213 G HN 0.116 nan 8.290 nan 0.000 0.517 214 I N 2.808 123.360 120.570 -0.029 0.000 2.363 214 I HA 0.334 4.504 4.170 -0.000 0.000 0.292 214 I C 1.923 178.027 176.117 -0.023 0.000 1.075 214 I CA 0.806 62.093 61.300 -0.022 0.000 1.333 214 I CB 1.326 39.309 38.000 -0.029 0.000 1.415 214 I HN 0.278 nan 8.210 nan 0.000 0.502 215 T N 0.410 114.956 114.554 -0.014 0.000 2.942 215 T HA -0.033 4.317 4.350 -0.000 0.000 0.265 215 T C 0.707 175.401 174.700 -0.009 0.000 1.062 215 T CA 0.574 62.667 62.100 -0.012 0.000 1.139 215 T CB 0.032 68.895 68.868 -0.008 0.000 0.883 215 T HN 0.501 nan 8.240 nan 0.000 0.468 216 D N 0.722 121.119 120.400 -0.006 0.000 2.420 216 D HA 0.567 5.207 4.640 -0.000 0.000 0.255 216 D C 0.990 177.294 176.300 0.006 0.000 1.185 216 D CA -0.282 53.718 54.000 -0.000 0.000 0.904 216 D CB 1.416 42.216 40.800 -0.000 0.000 1.102 216 D HN 0.193 nan 8.370 nan 0.000 0.534 217 A N 3.992 126.820 122.820 0.012 0.000 2.131 217 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 217 A C 1.781 179.389 177.584 0.041 0.000 1.158 217 A CA 1.116 53.174 52.037 0.034 0.000 0.665 217 A CB -0.150 18.881 19.000 0.050 0.000 0.795 217 A HN 0.534 nan 8.150 nan 0.000 0.460 218 K N -0.390 120.024 120.400 0.022 0.000 2.555 218 K HA -0.020 4.300 4.320 -0.000 0.000 0.193 218 K C 0.821 177.424 176.600 0.004 0.000 1.032 218 K CA 0.849 57.144 56.287 0.013 0.000 1.004 218 K CB 0.017 32.521 32.500 0.007 0.000 0.804 218 K HN 0.441 nan 8.250 nan 0.000 0.496 219 K N 0.618 121.022 120.400 0.008 0.000 2.397 219 K HA 0.123 4.442 4.320 -0.000 0.000 0.202 219 K C -0.414 176.189 176.600 0.005 0.000 1.022 219 K CA -0.112 56.176 56.287 0.002 0.000 1.141 219 K CB 1.019 33.520 32.500 0.003 0.000 0.857 219 K HN -0.144 nan 8.250 nan 0.000 0.514 220 V N 3.257 123.181 119.914 0.016 0.000 2.432 220 V HA 0.138 4.258 4.120 -0.000 0.000 0.271 220 V C -0.029 176.042 176.094 -0.039 0.000 1.046 220 V CA -0.448 61.870 62.300 0.030 0.000 0.945 220 V CB 0.796 32.689 31.823 0.116 0.000 0.992 220 V HN 0.152 nan 8.190 nan 0.000 0.471 221 I N 5.231 125.742 120.570 -0.098 0.000 2.336 221 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 221 I C 0.733 176.732 176.117 -0.196 0.000 0.991 221 I CA -0.014 61.122 61.300 -0.273 0.000 1.227 221 I CB 1.511 39.094 38.000 -0.693 0.000 1.366 221 I HN 0.712 nan 8.210 nan 0.000 0.466 222 T N 2.026 116.464 114.554 -0.193 0.000 2.912 222 T HA 0.786 5.136 4.350 -0.000 0.000 0.280 222 T C 0.081 174.710 174.700 -0.119 0.000 0.989 222 T CA -0.599 61.417 62.100 -0.140 0.000 0.995 222 T CB 1.839 70.603 68.868 -0.174 0.000 1.077 222 T HN 0.677 nan 8.240 nan 0.000 0.531 223 T N -1.020 113.492 114.554 -0.069 0.000 2.971 223 T HA 0.578 4.928 4.350 -0.000 0.000 0.304 223 T C -3.360 171.271 174.700 -0.116 0.000 1.038 223 T CA -1.830 60.245 62.100 -0.042 0.000 1.007 223 T CB 1.493 70.437 68.868 0.128 0.000 1.055 223 T HN 0.417 nan 8.240 nan 0.000 0.451 224 P HA 0.463 nan 4.420 nan 0.000 0.284 224 P C -0.889 176.371 177.300 -0.068 0.000 1.343 224 P CA -0.437 62.498 63.100 -0.275 0.000 0.826 224 P CB 0.235 31.541 31.700 -0.657 0.000 0.956 225 L N 2.983 124.233 121.223 0.046 0.000 2.322 225 L HA 0.457 4.797 4.340 -0.000 0.000 0.281 225 L C 0.838 177.845 176.870 0.228 0.000 1.014 225 L CA -0.847 54.144 54.840 0.251 0.000 0.815 225 L CB 1.662 43.961 42.059 0.400 0.000 1.247 225 L HN 0.254 nan 8.230 nan 0.000 0.421 226 T N -1.162 113.576 114.554 0.307 0.000 2.940 226 T HA 0.093 4.443 4.350 -0.000 0.000 0.309 226 T C 1.130 175.948 174.700 0.196 0.000 1.056 226 T CA -0.475 61.725 62.100 0.167 0.000 1.137 226 T CB 1.267 70.241 68.868 0.176 0.000 0.976 226 T HN 0.508 nan 8.240 nan 0.000 0.547 227 V N -0.241 119.706 119.914 0.056 0.000 3.506 227 V HA 0.508 4.628 4.120 -0.000 0.000 0.263 227 V C 1.358 177.546 176.094 0.157 0.000 1.203 227 V CA 0.586 62.909 62.300 0.037 0.000 1.133 227 V CB -1.699 30.056 31.823 -0.114 0.000 0.802 227 V HN 1.655 nan 8.190 nan 0.000 0.459 228 G N 0.261 109.107 108.800 0.077 0.000 2.598 228 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 228 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 228 G C -0.727 174.135 174.900 -0.063 0.000 1.302 228 G CA 0.402 45.498 45.100 -0.007 0.000 0.903 228 G HN 1.421 nan 8.290 nan 0.000 0.575 229 Y N -0.809 119.180 120.300 -0.518 0.000 2.433 229 Y HA 0.666 5.216 4.550 -0.000 0.000 0.337 229 Y C -0.727 174.538 175.900 -1.059 0.000 1.026 229 Y CA -1.744 56.010 58.100 -0.577 0.000 1.037 229 Y CB 1.424 39.594 38.460 -0.483 0.000 1.245 229 Y HN 0.594 nan 8.280 nan 0.000 0.443 230 F N 4.017 123.307 119.950 -1.101 0.000 2.671 230 F HA 0.215 4.742 4.527 -0.000 0.000 0.384 230 F C 0.485 175.567 175.800 -1.197 0.000 1.351 230 F CA -0.750 56.636 58.000 -1.024 0.000 1.151 230 F CB 0.358 39.170 39.000 -0.314 0.000 1.147 230 F HN 0.614 nan 8.300 nan 0.000 0.513 231 D N 1.111 120.308 120.400 -2.004 0.000 2.845 231 D HA -0.223 4.417 4.640 -0.000 0.000 0.229 231 D C 1.520 177.583 176.300 -0.395 0.000 1.170 231 D CA 1.860 55.236 54.000 -1.040 0.000 0.717 231 D CB -0.751 39.806 40.800 -0.404 0.000 1.073 231 D HN 0.825 nan 8.370 nan 0.000 0.424 232 G N -0.904 107.686 108.800 -0.350 0.000 2.217 232 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.246 232 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.246 232 G C 1.154 176.004 174.900 -0.083 0.000 0.990 232 G CA 0.500 45.521 45.100 -0.132 0.000 0.627 232 G HN 0.391 nan 8.290 nan 0.000 0.522 233 K N 1.243 121.594 120.400 -0.082 0.000 2.442 233 K HA -0.038 4.282 4.320 -0.000 0.000 0.199 233 K C 1.762 178.300 176.600 -0.103 0.000 1.044 233 K CA 1.594 57.841 56.287 -0.068 0.000 0.941 233 K CB -0.190 32.284 32.500 -0.043 0.000 0.759 233 K HN 0.778 nan 8.250 nan 0.000 0.472 234 D N -0.947 119.412 120.400 -0.068 0.000 2.349 234 D HA 0.046 4.686 4.640 -0.000 0.000 0.214 234 D C 0.974 177.257 176.300 -0.028 0.000 1.063 234 D CA 0.546 54.516 54.000 -0.050 0.000 0.847 234 D CB -0.063 40.765 40.800 0.047 0.000 0.933 234 D HN 0.133 nan 8.370 nan 0.000 0.513 235 G N 0.777 109.555 108.800 -0.036 0.000 2.176 235 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 235 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 235 G C -0.131 174.753 174.900 -0.026 0.000 1.024 235 G CA 0.358 45.440 45.100 -0.031 0.000 0.755 235 G HN 0.407 nan 8.290 nan 0.000 0.507 236 L N -0.347 120.864 121.223 -0.020 0.000 2.317 236 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 236 L C 0.853 177.720 176.870 -0.005 0.000 1.024 236 L CA -1.051 53.778 54.840 -0.020 0.000 0.810 236 L CB 1.712 43.756 42.059 -0.025 0.000 1.240 236 L HN 0.130 nan 8.230 nan 0.000 0.427 237 K N 1.636 122.033 120.400 -0.006 0.000 2.416 237 K HA -0.051 4.269 4.320 -0.000 0.000 0.283 237 K C 0.703 177.320 176.600 0.027 0.000 1.037 237 K CA -0.093 56.199 56.287 0.009 0.000 0.995 237 K CB 0.995 33.496 32.500 0.001 0.000 0.938 237 K HN 0.491 nan 8.250 nan 0.000 0.475 238 Q N 2.780 122.612 119.800 0.053 0.000 2.230 238 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 238 Q C 1.106 177.184 176.000 0.130 0.000 0.963 238 Q CA 1.835 57.690 55.803 0.087 0.000 0.866 238 Q CB 0.068 28.860 28.738 0.091 0.000 0.931 238 Q HN 0.784 nan 8.270 nan 0.000 0.452 239 D N -0.740 119.698 120.400 0.062 0.000 2.355 239 D HA 0.035 4.675 4.640 -0.000 0.000 0.218 239 D C -0.511 175.805 176.300 0.027 0.000 1.004 239 D CA 0.396 54.405 54.000 0.015 0.000 0.880 239 D CB 0.138 40.921 40.800 -0.027 0.000 0.911 239 D HN 0.248 nan 8.370 nan 0.000 0.528 240 A N 0.989 123.843 122.820 0.057 0.000 2.301 240 A HA 0.385 4.705 4.320 -0.000 0.000 0.298 240 A C 0.288 177.907 177.584 0.058 0.000 1.185 240 A CA -0.600 51.453 52.037 0.027 0.000 0.830 240 A CB 0.552 19.549 19.000 -0.005 0.000 1.112 240 A HN 0.198 nan 8.150 nan 0.000 0.508 241 R N 3.059 123.577 120.500 0.030 0.000 2.291 241 R HA 0.430 4.770 4.340 -0.000 0.000 0.333 241 R C -1.125 175.150 176.300 -0.041 0.000 1.082 241 R CA 0.149 56.264 56.100 0.026 0.000 0.948 241 R CB -0.259 30.042 30.300 0.003 0.000 1.009 241 R HN 0.713 nan 8.270 nan 0.000 0.460 242 L N 4.939 126.111 121.223 -0.084 0.000 2.279 242 L HA 0.678 5.018 4.340 -0.000 0.000 0.262 242 L C -0.607 176.194 176.870 -0.115 0.000 1.019 242 L CA -1.270 53.510 54.840 -0.100 0.000 0.823 242 L CB 1.912 43.906 42.059 -0.108 0.000 1.358 242 L HN 0.495 nan 8.230 nan 0.000 0.432 243 L N 0.721 121.871 121.223 -0.122 0.000 2.505 243 L HA 0.451 4.791 4.340 -0.000 0.000 0.259 243 L C -0.995 175.784 176.870 -0.151 0.000 0.952 243 L CA -0.719 54.050 54.840 -0.119 0.000 0.840 243 L CB 2.757 44.745 42.059 -0.118 0.000 1.358 243 L HN 0.525 nan 8.230 nan 0.000 0.409 244 K N 1.312 121.613 120.400 -0.166 0.000 2.098 244 K HA 0.724 5.044 4.320 -0.000 0.000 0.258 244 K C -1.171 175.355 176.600 -0.123 0.000 0.973 244 K CA -0.743 55.401 56.287 -0.237 0.000 0.898 244 K CB 2.480 34.642 32.500 -0.565 0.000 1.057 244 K HN 0.218 nan 8.250 nan 0.000 0.447 245 V N 4.079 123.916 119.914 -0.127 0.000 2.407 245 V HA 0.325 4.445 4.120 -0.000 0.000 0.291 245 V C -0.359 175.693 176.094 -0.069 0.000 1.018 245 V CA -0.921 61.316 62.300 -0.106 0.000 0.842 245 V CB 1.259 32.973 31.823 -0.182 0.000 0.996 245 V HN 0.601 nan 8.190 nan 0.000 0.426 246 I N 3.300 123.834 120.570 -0.060 0.000 2.437 246 I HA 0.580 4.750 4.170 -0.000 0.000 0.298 246 I C 0.427 176.420 176.117 -0.206 0.000 0.984 246 I CA 0.217 61.435 61.300 -0.137 0.000 1.214 246 I CB 2.036 39.937 38.000 -0.164 0.000 1.365 246 I HN 0.602 nan 8.210 nan 0.000 0.469 247 S N 4.961 120.471 115.700 -0.316 0.000 2.600 247 S HA 0.782 5.252 4.470 -0.000 0.000 0.300 247 S C -1.199 173.050 174.600 -0.585 0.000 1.087 247 S CA -0.493 57.539 58.200 -0.280 0.000 0.965 247 S CB 2.084 65.292 63.200 0.014 0.000 1.089 247 S HN 0.364 nan 8.310 nan 0.000 0.496 248 Y N 0.183 120.480 120.300 -0.004 0.000 2.609 248 Y HA 0.636 5.186 4.550 -0.000 0.000 0.342 248 Y C -0.789 175.144 175.900 0.055 0.000 1.058 248 Y CA -1.081 57.058 58.100 0.064 0.000 1.055 248 Y CB 1.079 39.597 38.460 0.098 0.000 1.292 248 Y HN 0.469 nan 8.280 nan 0.000 0.476 249 L N 2.447 123.848 121.223 0.297 0.000 2.287 249 L HA 0.426 4.766 4.340 -0.000 0.000 0.287 249 L C -0.711 176.264 176.870 0.174 0.000 1.022 249 L CA -0.419 54.523 54.840 0.171 0.000 0.814 249 L CB 0.733 42.863 42.059 0.118 0.000 1.217 249 L HN 0.580 nan 8.230 nan 0.000 0.420 250 D N 3.527 123.983 120.400 0.093 0.000 2.336 250 D HA 0.124 4.764 4.640 -0.000 0.000 0.249 250 D C 0.681 176.981 176.300 0.000 0.000 1.213 250 D CA -0.009 54.043 54.000 0.087 0.000 0.870 250 D CB 1.126 41.953 40.800 0.044 0.000 1.076 250 D HN 0.388 nan 8.370 nan 0.000 0.483 251 V N 1.568 121.441 119.914 -0.068 0.000 3.376 251 V HA 0.463 4.583 4.120 -0.000 0.000 0.313 251 V C 1.285 177.343 176.094 -0.059 0.000 1.393 251 V CA 0.279 62.498 62.300 -0.135 0.000 1.125 251 V CB -0.098 31.517 31.823 -0.346 0.000 1.037 251 V HN 0.694 nan 8.190 nan 0.000 0.440 252 G N 2.156 110.950 108.800 -0.009 0.000 2.157 252 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.248 252 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.248 252 G C 0.198 175.095 174.900 -0.005 0.000 0.979 252 G CA 0.464 45.562 45.100 -0.003 0.000 0.650 252 G HN 0.835 nan 8.290 nan 0.000 0.529 253 D N -0.227 120.184 120.400 0.018 0.000 2.325 253 D HA 0.397 5.037 4.640 -0.000 0.000 0.225 253 D C 1.784 178.028 176.300 -0.093 0.000 1.096 253 D CA 0.365 54.360 54.000 -0.008 0.000 0.844 253 D CB -0.530 40.310 40.800 0.067 0.000 0.925 253 D HN 1.492 nan 8.370 nan 0.000 0.513 254 G N 0.797 109.556 108.800 -0.068 0.000 2.166 254 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.260 254 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.260 254 G C 0.208 174.986 174.900 -0.202 0.000 0.986 254 G CA 0.336 45.349 45.100 -0.145 0.000 0.683 254 G HN 0.618 nan 8.290 nan 0.000 0.527 255 N N -0.407 118.255 118.700 -0.063 0.000 2.726 255 N HA 0.361 5.101 4.740 -0.000 0.000 0.253 255 N C 0.917 176.443 175.510 0.028 0.000 1.530 255 N CA -0.426 52.621 53.050 -0.005 0.000 0.772 255 N CB -0.108 38.396 38.487 0.029 0.000 1.220 255 N HN 0.342 nan 8.380 nan 0.000 0.508 256 Y N -0.610 119.694 120.300 0.006 0.000 2.483 256 Y HA 0.058 4.608 4.550 -0.000 0.000 0.291 256 Y C 0.994 176.771 175.900 -0.206 0.000 1.143 256 Y CA 0.438 58.527 58.100 -0.018 0.000 1.289 256 Y CB -0.663 37.694 38.460 -0.172 0.000 0.983 256 Y HN 0.303 nan 8.280 nan 0.000 0.556 257 W N 1.118 122.175 121.300 -0.406 0.000 2.421 257 W HA 0.044 4.704 4.660 -0.000 0.000 0.270 257 W C 2.268 178.818 176.519 0.051 0.000 1.233 257 W CA 1.234 58.343 57.345 -0.395 0.000 1.226 257 W CB -0.314 28.939 29.460 -0.346 0.000 1.121 257 W HN 0.169 nan 8.180 nan 0.000 0.579 258 A N -0.589 122.301 122.820 0.117 0.000 2.259 258 A HA 0.030 4.350 4.320 -0.000 0.000 0.208 258 A C 0.160 177.535 177.584 -0.349 0.000 1.201 258 A CA 0.486 52.562 52.037 0.066 0.000 0.824 258 A CB -0.678 18.234 19.000 -0.145 0.000 0.838 258 A HN 0.309 nan 8.150 nan 0.000 0.485 259 H N 0.212 119.540 119.070 0.431 0.000 2.439 259 H HA 0.227 4.783 4.556 -0.000 0.000 0.228 259 H C -3.029 172.540 175.328 0.402 0.000 1.423 259 H CA -2.081 54.178 56.048 0.352 0.000 1.386 259 H CB -0.046 29.874 29.762 0.264 0.000 1.641 259 H HN 0.321 nan 8.280 nan 0.000 0.508 260 P HA 0.119 nan 4.420 nan 0.000 0.271 260 P C 0.352 177.707 177.300 0.091 0.000 1.218 260 P CA -0.120 63.119 63.100 0.232 0.000 0.780 260 P CB 1.681 33.547 31.700 0.277 0.000 0.901 261 I N 1.636 122.168 120.570 -0.064 0.000 2.479 261 I HA 0.186 4.356 4.170 -0.000 0.000 0.279 261 I C 0.875 176.969 176.117 -0.038 0.000 1.102 261 I CA -0.662 60.620 61.300 -0.031 0.000 1.196 261 I CB 0.229 38.196 38.000 -0.055 0.000 1.427 261 I HN 0.273 nan 8.210 nan 0.000 0.503 262 E N 4.917 125.134 120.200 0.029 0.000 2.413 262 E HA 0.015 4.365 4.350 -0.000 0.000 0.263 262 E C 0.577 177.210 176.600 0.055 0.000 1.015 262 E CA 0.760 57.203 56.400 0.072 0.000 0.916 262 E CB 0.293 30.072 29.700 0.131 0.000 0.947 262 E HN 0.436 nan 8.360 nan 0.000 0.440 263 N N 1.232 119.980 118.700 0.079 0.000 2.782 263 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 263 N C -1.069 174.459 175.510 0.030 0.000 1.101 263 N CA 0.579 53.671 53.050 0.070 0.000 0.764 263 N CB -1.222 37.307 38.487 0.069 0.000 1.122 263 N HN 0.275 nan 8.380 nan 0.000 0.561 264 L N 0.675 121.902 121.223 0.006 0.000 2.342 264 L HA 0.586 4.925 4.340 -0.000 0.000 0.276 264 L C -0.872 176.013 176.870 0.025 0.000 0.997 264 L CA -0.771 54.068 54.840 -0.002 0.000 0.838 264 L CB 1.881 43.913 42.059 -0.044 0.000 1.224 264 L HN -0.098 nan 8.230 nan 0.000 0.416 265 V N 4.439 124.375 119.914 0.036 0.000 2.577 265 V HA 0.899 5.019 4.120 -0.000 0.000 0.303 265 V C 0.001 176.105 176.094 0.017 0.000 1.042 265 V CA -0.408 61.899 62.300 0.012 0.000 0.872 265 V CB 1.468 33.274 31.823 -0.027 0.000 0.998 265 V HN 0.925 nan 8.190 nan 0.000 0.423 266 A N 4.144 126.964 122.820 0.000 0.000 2.337 266 A HA 0.906 5.226 4.320 -0.000 0.000 0.329 266 A C -0.837 176.679 177.584 -0.114 0.000 1.146 266 A CA -0.618 51.406 52.037 -0.022 0.000 0.800 266 A CB 1.739 20.715 19.000 -0.039 0.000 1.220 266 A HN 0.695 nan 8.150 nan 0.000 0.472 267 V N 2.649 122.498 119.914 -0.109 0.000 2.384 267 V HA 0.426 4.546 4.120 -0.000 0.000 0.287 267 V C -0.333 175.692 176.094 -0.114 0.000 1.020 267 V CA -0.444 61.774 62.300 -0.137 0.000 0.850 267 V CB 1.292 33.038 31.823 -0.128 0.000 0.987 267 V HN 0.636 nan 8.190 nan 0.000 0.436 268 V N 3.826 123.665 119.914 -0.124 0.000 2.459 268 V HA 0.421 4.541 4.120 -0.000 0.000 0.295 268 V C -0.269 175.771 176.094 -0.090 0.000 1.029 268 V CA -0.558 61.677 62.300 -0.109 0.000 0.874 268 V CB 2.008 33.755 31.823 -0.126 0.000 0.985 268 V HN 0.875 nan 8.190 nan 0.000 0.438 269 D N 3.840 124.197 120.400 -0.071 0.000 2.329 269 D HA 0.305 4.945 4.640 -0.000 0.000 0.232 269 D C 0.840 177.109 176.300 -0.051 0.000 1.088 269 D CA -0.252 53.714 54.000 -0.056 0.000 0.835 269 D CB 1.770 42.545 40.800 -0.043 0.000 1.078 269 D HN 0.417 nan 8.370 nan 0.000 0.495 270 L N 2.896 124.090 121.223 -0.049 0.000 2.156 270 L HA -0.063 4.276 4.340 -0.000 0.000 0.208 270 L C 2.107 178.961 176.870 -0.027 0.000 1.095 270 L CA 0.771 55.586 54.840 -0.041 0.000 0.770 270 L CB 0.005 42.038 42.059 -0.043 0.000 0.914 270 L HN 0.456 nan 8.230 nan 0.000 0.439 271 E N -0.250 119.936 120.200 -0.023 0.000 2.122 271 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 271 E C 1.975 178.569 176.600 -0.011 0.000 0.977 271 E CA 0.619 57.012 56.400 -0.012 0.000 0.820 271 E CB 0.104 29.801 29.700 -0.005 0.000 0.770 271 E HN 0.564 nan 8.360 nan 0.000 0.462 272 Q N 0.499 120.289 119.800 -0.017 0.000 2.432 272 Q HA 0.020 4.360 4.340 -0.000 0.000 0.205 272 Q C -0.241 175.748 176.000 -0.019 0.000 0.945 272 Q CA 0.136 55.929 55.803 -0.016 0.000 0.924 272 Q CB 0.138 28.866 28.738 -0.018 0.000 1.016 272 Q HN 0.054 nan 8.270 nan 0.000 0.503 273 K N 1.487 121.872 120.400 -0.025 0.000 3.257 273 K HA -0.228 4.092 4.320 -0.000 0.000 0.270 273 K C -0.843 175.736 176.600 -0.035 0.000 0.984 273 K CA 0.907 57.176 56.287 -0.030 0.000 0.739 273 K CB -1.518 30.970 32.500 -0.020 0.000 1.351 273 K HN 0.340 nan 8.250 nan 0.000 0.463 274 K N -1.252 119.122 120.400 -0.043 0.000 2.597 274 K HA 0.404 4.724 4.320 -0.000 0.000 0.282 274 K C -0.771 175.796 176.600 -0.055 0.000 0.975 274 K CA -1.122 55.138 56.287 -0.045 0.000 0.867 274 K CB 1.056 33.538 32.500 -0.030 0.000 1.465 274 K HN 0.016 nan 8.250 nan 0.000 0.417 275 I N 2.905 123.441 120.570 -0.057 0.000 2.517 275 I HA -0.007 4.163 4.170 -0.000 0.000 0.285 275 I C 1.064 177.159 176.117 -0.037 0.000 1.106 275 I CA -0.459 60.806 61.300 -0.057 0.000 1.402 275 I CB 1.211 39.185 38.000 -0.043 0.000 1.399 275 I HN 0.588 nan 8.210 nan 0.000 0.535 276 V N 2.880 122.768 119.914 -0.043 0.000 3.376 276 V HA 0.380 4.500 4.120 -0.000 0.000 0.313 276 V C 0.232 176.308 176.094 -0.031 0.000 1.393 276 V CA 0.018 62.298 62.300 -0.034 0.000 1.125 276 V CB -0.547 31.254 31.823 -0.037 0.000 1.037 276 V HN 0.862 nan 8.190 nan 0.000 0.440 277 K N 0.546 120.928 120.400 -0.030 0.000 2.633 277 K HA 0.480 4.800 4.320 -0.000 0.000 0.268 277 K C -2.101 174.490 176.600 -0.015 0.000 1.005 277 K CA -0.557 55.715 56.287 -0.025 0.000 0.976 277 K CB 1.799 34.275 32.500 -0.040 0.000 1.372 277 K HN 0.276 nan 8.250 nan 0.000 0.420 278 I N 3.412 123.985 120.570 0.005 0.000 2.436 278 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 278 I C -0.623 175.499 176.117 0.010 0.000 1.010 278 I CA -0.722 60.594 61.300 0.027 0.000 1.098 278 I CB 2.073 40.108 38.000 0.057 0.000 1.266 278 I HN 0.519 nan 8.210 nan 0.000 0.434 279 E N 6.198 126.404 120.200 0.009 0.000 2.145 279 E HA 0.396 4.746 4.350 -0.000 0.000 0.270 279 E C -1.153 175.457 176.600 0.015 0.000 0.906 279 E CA -0.604 55.803 56.400 0.011 0.000 0.761 279 E CB 1.893 31.602 29.700 0.016 0.000 1.116 279 E HN 0.493 nan 8.360 nan 0.000 0.408 280 E N 1.497 121.702 120.200 0.009 0.000 2.183 280 E HA 0.566 4.916 4.350 -0.000 0.000 0.271 280 E C -0.268 176.341 176.600 0.015 0.000 0.919 280 E CA -0.754 55.647 56.400 0.002 0.000 0.781 280 E CB 2.118 31.808 29.700 -0.017 0.000 1.140 280 E HN 0.542 nan 8.360 nan 0.000 0.402 281 G N 2.113 110.925 108.800 0.022 0.000 3.211 281 G HA2 0.498 4.458 3.960 -0.000 0.000 0.262 281 G HA3 0.498 4.458 3.960 -0.000 0.000 0.262 281 G C -2.669 172.246 174.900 0.025 0.000 1.352 281 G CA -1.488 43.632 45.100 0.033 0.000 1.004 281 G HN 0.259 nan 8.290 nan 0.000 0.559 282 P HA 0.170 nan 4.420 nan 0.000 0.263 282 P C -0.192 177.122 177.300 0.024 0.000 1.175 282 P CA -0.163 62.953 63.100 0.025 0.000 0.761 282 P CB 0.744 32.463 31.700 0.032 0.000 0.794 283 V N 4.943 124.865 119.914 0.013 0.000 2.488 283 V HA 0.126 4.246 4.120 -0.000 0.000 0.277 283 V C 0.417 176.522 176.094 0.019 0.000 1.046 283 V CA 0.051 62.356 62.300 0.009 0.000 0.986 283 V CB 1.112 32.934 31.823 -0.002 0.000 0.989 283 V HN 0.224 nan 8.190 nan 0.000 0.475 284 V N 7.168 127.098 119.914 0.027 0.000 2.487 284 V HA 0.378 4.498 4.120 -0.000 0.000 0.298 284 V C -2.290 173.828 176.094 0.040 0.000 1.028 284 V CA -1.943 60.380 62.300 0.037 0.000 0.860 284 V CB 1.891 33.746 31.823 0.053 0.000 0.991 284 V HN 0.760 nan 8.190 nan 0.000 0.427 285 P HA 0.086 nan 4.420 nan 0.000 0.265 285 P C -0.396 176.945 177.300 0.069 0.000 1.193 285 P CA -0.018 63.109 63.100 0.045 0.000 0.765 285 P CB 0.395 32.120 31.700 0.041 0.000 0.823 286 V N 6.660 126.620 119.914 0.076 0.000 2.529 286 V HA 0.075 4.195 4.120 -0.000 0.000 0.292 286 V C -1.848 174.340 176.094 0.157 0.000 1.028 286 V CA -1.171 61.200 62.300 0.119 0.000 1.074 286 V CB 0.071 31.962 31.823 0.113 0.000 0.958 286 V HN 0.572 nan 8.190 nan 0.000 0.481 287 P HA 0.134 nan 4.420 nan 0.000 0.266 287 P C 0.527 178.043 177.300 0.360 0.000 1.215 287 P CA 0.206 63.458 63.100 0.253 0.000 0.763 287 P CB 0.433 32.286 31.700 0.255 0.000 0.806 288 M N 0.238 119.987 119.600 0.248 0.000 2.615 288 M HA 0.045 4.525 4.480 -0.000 0.000 0.262 288 M C 0.500 176.907 176.300 0.178 0.000 1.198 288 M CA 0.718 56.109 55.300 0.153 0.000 1.165 288 M CB -0.936 31.704 32.600 0.067 0.000 1.310 288 M HN 0.165 nan 8.290 nan 0.000 0.494 289 T N 2.946 117.642 114.554 0.235 0.000 2.849 289 T HA 0.152 4.502 4.350 -0.000 0.000 0.289 289 T C 0.430 175.310 174.700 0.300 0.000 1.010 289 T CA -0.079 62.156 62.100 0.224 0.000 1.161 289 T CB 0.119 69.122 68.868 0.225 0.000 0.989 289 T HN 0.362 nan 8.240 nan 0.000 0.523 290 A N 4.827 127.763 122.820 0.193 0.000 2.524 290 A HA 0.309 4.629 4.320 -0.000 0.000 0.250 290 A C 0.772 178.447 177.584 0.152 0.000 1.078 290 A CA -0.140 52.005 52.037 0.180 0.000 0.761 290 A CB 0.167 19.217 19.000 0.083 0.000 1.012 290 A HN 0.664 nan 8.150 nan 0.000 0.500 291 R N 3.149 123.734 120.500 0.141 0.000 2.738 291 R HA 0.268 4.608 4.340 -0.000 0.000 0.280 291 R C -2.993 173.264 176.300 -0.071 0.000 1.456 291 R CA -1.804 54.303 56.100 0.012 0.000 1.612 291 R CB 0.550 30.834 30.300 -0.027 0.000 1.286 291 R HN 0.593 nan 8.270 nan 0.000 0.660 292 P HA 0.052 nan 4.420 nan 0.000 0.270 292 P C 0.093 177.291 177.300 -0.170 0.000 1.223 292 P CA -0.053 62.927 63.100 -0.201 0.000 0.785 292 P CB 0.447 32.047 31.700 -0.167 0.000 0.923 293 F N -0.670 119.205 119.950 -0.125 0.000 2.746 293 F HA 0.254 4.781 4.527 -0.000 0.000 0.320 293 F C 0.843 176.584 175.800 -0.098 0.000 1.097 293 F CA -0.435 57.478 58.000 -0.145 0.000 1.195 293 F CB -0.974 37.906 39.000 -0.199 0.000 1.056 293 F HN 0.091 nan 8.300 nan 0.000 0.562 294 D N 0.031 120.299 120.400 -0.219 0.000 2.328 294 D HA 0.230 4.870 4.640 -0.000 0.000 0.226 294 D C 1.885 178.160 176.300 -0.042 0.000 1.066 294 D CA 0.501 54.453 54.000 -0.081 0.000 0.861 294 D CB -0.159 40.523 40.800 -0.197 0.000 0.912 294 D HN 0.491 nan 8.370 nan 0.000 0.521 295 G N 1.648 110.425 108.800 -0.039 0.000 2.162 295 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.260 295 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.260 295 G C 1.215 176.094 174.900 -0.034 0.000 0.976 295 G CA 0.501 45.586 45.100 -0.025 0.000 0.655 295 G HN 0.600 nan 8.290 nan 0.000 0.533 296 R N 0.466 120.932 120.500 -0.056 0.000 2.159 296 R HA -0.059 4.281 4.340 -0.000 0.000 0.237 296 R C 1.414 177.695 176.300 -0.032 0.000 1.131 296 R CA 1.922 57.993 56.100 -0.048 0.000 0.982 296 R CB -0.401 29.859 30.300 -0.066 0.000 0.868 296 R HN 0.452 nan 8.270 nan 0.000 0.453 297 D N -0.138 120.244 120.400 -0.031 0.000 2.424 297 D HA 0.114 4.754 4.640 -0.000 0.000 0.220 297 D C -0.146 176.148 176.300 -0.010 0.000 1.150 297 D CA -0.302 53.688 54.000 -0.017 0.000 0.831 297 D CB 0.288 41.079 40.800 -0.016 0.000 0.981 297 D HN 0.054 nan 8.370 nan 0.000 0.500 298 R N -0.340 120.153 120.500 -0.011 0.000 2.888 298 R HA 0.680 5.020 4.340 -0.000 0.000 0.264 298 R C -1.033 175.265 176.300 -0.002 0.000 1.045 298 R CA -1.008 55.089 56.100 -0.004 0.000 0.962 298 R CB 2.342 32.639 30.300 -0.004 0.000 1.210 298 R HN -0.132 nan 8.270 nan 0.000 0.479 299 V N 0.929 120.843 119.914 0.001 0.000 2.524 299 V HA 0.430 4.550 4.120 -0.000 0.000 0.297 299 V C -0.056 176.040 176.094 0.004 0.000 1.035 299 V CA -1.125 61.177 62.300 0.002 0.000 0.867 299 V CB 1.581 33.406 31.823 0.004 0.000 1.004 299 V HN 0.921 nan 8.190 nan 0.000 0.426 300 A N 6.227 129.049 122.820 0.004 0.000 2.425 300 A HA 0.710 5.030 4.320 -0.000 0.000 0.249 300 A C -2.055 175.533 177.584 0.006 0.000 1.084 300 A CA -0.783 51.256 52.037 0.005 0.000 0.781 300 A CB -0.291 18.712 19.000 0.004 0.000 1.019 300 A HN 0.731 nan 8.150 nan 0.000 0.490 301 P HA 0.408 nan 4.420 nan 0.000 0.271 301 P C -0.197 177.107 177.300 0.006 0.000 1.216 301 P CA -0.036 63.068 63.100 0.006 0.000 0.776 301 P CB 0.847 32.551 31.700 0.007 0.000 0.881 302 A N 2.507 125.331 122.820 0.006 0.000 2.477 302 A HA 0.401 4.721 4.320 -0.000 0.000 0.246 302 A C -0.168 177.420 177.584 0.006 0.000 1.078 302 A CA 0.020 52.060 52.037 0.007 0.000 0.770 302 A CB -0.030 18.974 19.000 0.007 0.000 1.011 302 A HN 0.393 nan 8.150 nan 0.000 0.494 303 V N 3.951 123.868 119.914 0.006 0.000 2.656 303 V HA 0.283 4.403 4.120 -0.000 0.000 0.307 303 V C -0.176 175.922 176.094 0.005 0.000 1.051 303 V CA -1.195 61.108 62.300 0.005 0.000 0.893 303 V CB 1.954 33.780 31.823 0.005 0.000 0.999 303 V HN 0.909 nan 8.190 nan 0.000 0.426 304 K N 4.651 125.053 120.400 0.004 0.000 2.382 304 K HA 0.273 4.593 4.320 -0.000 0.000 0.275 304 K C -2.072 174.531 176.600 0.005 0.000 1.009 304 K CA -1.098 55.191 56.287 0.003 0.000 0.970 304 K CB 0.448 32.948 32.500 0.000 0.000 0.934 304 K HN 0.515 nan 8.250 nan 0.000 0.479 305 P HA 0.118 nan 4.420 nan 0.000 0.271 305 P C -0.626 176.679 177.300 0.010 0.000 1.218 305 P CA -0.181 62.926 63.100 0.011 0.000 0.780 305 P CB 0.787 32.497 31.700 0.016 0.000 0.901 306 M N 1.835 121.442 119.600 0.011 0.000 2.326 306 M HA 0.291 4.771 4.480 -0.000 0.000 0.292 306 M C -1.457 174.854 176.300 0.017 0.000 1.081 306 M CA -0.386 54.920 55.300 0.010 0.000 0.919 306 M CB 2.329 34.931 32.600 0.003 0.000 1.634 306 M HN 0.340 nan 8.290 nan 0.000 0.451 307 Q N 4.239 124.054 119.800 0.025 0.000 2.372 307 Q HA 0.642 4.982 4.340 -0.000 0.000 0.273 307 Q C -1.471 174.553 176.000 0.041 0.000 1.078 307 Q CA -0.729 55.099 55.803 0.042 0.000 0.806 307 Q CB 3.406 32.184 28.738 0.066 0.000 1.332 307 Q HN 0.732 nan 8.270 nan 0.000 0.435 308 I N 4.277 124.877 120.570 0.050 0.000 2.382 308 I HA 0.435 4.605 4.170 -0.000 0.000 0.285 308 I C -0.387 175.777 176.117 0.080 0.000 1.007 308 I CA -0.642 60.688 61.300 0.050 0.000 1.142 308 I CB 0.905 38.931 38.000 0.043 0.000 1.289 308 I HN 0.498 nan 8.210 nan 0.000 0.453 309 I N 2.541 123.151 120.570 0.066 0.000 2.646 309 I HA 0.609 4.779 4.170 -0.000 0.000 0.299 309 I C -0.802 175.298 176.117 -0.028 0.000 1.036 309 I CA -0.554 60.785 61.300 0.066 0.000 1.074 309 I CB 2.305 40.358 38.000 0.088 0.000 1.258 309 I HN 0.499 nan 8.210 nan 0.000 0.430 310 E N 5.540 125.705 120.200 -0.058 0.000 3.108 310 E HA 0.243 4.593 4.350 -0.000 0.000 0.228 310 E C -2.128 174.322 176.600 -0.250 0.000 1.176 310 E CA -1.527 54.812 56.400 -0.101 0.000 0.881 310 E CB 1.263 30.960 29.700 -0.005 0.000 1.354 310 E HN 0.557 nan 8.360 nan 0.000 0.400 311 P HA -0.169 nan 4.420 nan 0.000 0.223 311 P C 0.357 177.488 177.300 -0.280 0.000 1.144 311 P CA 1.111 63.693 63.100 -0.864 0.000 0.783 311 P CB 0.417 31.614 31.700 -0.838 0.000 0.771 312 E N -0.562 119.542 120.200 -0.160 0.000 2.501 312 E HA 0.358 4.707 4.350 -0.000 0.000 0.200 312 E C 0.798 177.375 176.600 -0.040 0.000 1.016 312 E CA -0.069 56.290 56.400 -0.068 0.000 0.921 312 E CB 0.405 30.069 29.700 -0.060 0.000 1.034 312 E HN 0.207 nan 8.360 nan 0.000 0.468 313 G N 1.385 110.163 108.800 -0.036 0.000 2.566 313 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.599 313 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.599 313 G C -0.904 173.941 174.900 -0.090 0.000 1.292 313 G CA -0.996 44.083 45.100 -0.036 0.000 0.922 313 G HN -0.064 nan 8.290 nan 0.000 0.514 314 K N -0.027 120.255 120.400 -0.197 0.000 2.090 314 K HA 0.389 4.709 4.320 -0.000 0.000 0.249 314 K C 1.234 177.678 176.600 -0.259 0.000 0.995 314 K CA -0.590 55.475 56.287 -0.371 0.000 0.914 314 K CB 0.774 32.660 32.500 -1.023 0.000 1.057 314 K HN 0.560 nan 8.250 nan 0.000 0.462 315 N N -0.211 118.423 118.700 -0.110 0.000 2.446 315 N HA -0.043 4.697 4.740 -0.000 0.000 0.179 315 N C -0.351 175.278 175.510 0.198 0.000 1.054 315 N CA 0.339 53.445 53.050 0.095 0.000 0.905 315 N CB -0.022 38.618 38.487 0.254 0.000 0.973 315 N HN 0.480 nan 8.380 nan 0.000 0.448 316 Y N -1.179 119.274 120.300 0.255 0.000 2.376 316 Y HA 0.665 5.215 4.550 -0.000 0.000 0.325 316 Y C -0.094 175.828 175.900 0.035 0.000 1.199 316 Y CA -1.049 57.158 58.100 0.179 0.000 1.206 316 Y CB 0.696 39.204 38.460 0.081 0.000 1.229 316 Y HN -0.344 nan 8.280 nan 0.000 0.480 317 T N 3.811 118.478 114.554 0.187 0.000 2.841 317 T HA 0.563 4.913 4.350 -0.000 0.000 0.283 317 T C -0.750 173.946 174.700 -0.007 0.000 1.000 317 T CA -0.604 61.522 62.100 0.044 0.000 0.977 317 T CB 0.769 69.683 68.868 0.076 0.000 0.979 317 T HN 0.596 nan 8.240 nan 0.000 0.446 318 I N 3.037 123.522 120.570 -0.143 0.000 2.390 318 I HA 0.282 4.452 4.170 -0.000 0.000 0.283 318 I C -0.024 176.079 176.117 -0.024 0.000 1.016 318 I CA -0.564 60.639 61.300 -0.160 0.000 1.151 318 I CB 1.507 39.290 38.000 -0.361 0.000 1.293 318 I HN 0.507 nan 8.210 nan 0.000 0.458 319 T N 5.289 119.846 114.554 0.005 0.000 2.853 319 T HA 0.500 4.850 4.350 -0.000 0.000 0.317 319 T C 0.857 175.594 174.700 0.062 0.000 1.059 319 T CA 0.239 62.374 62.100 0.059 0.000 0.954 319 T CB 1.244 70.146 68.868 0.056 0.000 0.994 319 T HN 1.030 nan 8.240 nan 0.000 0.479 320 G N 4.109 112.965 108.800 0.094 0.000 2.601 320 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.306 320 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.306 320 G C 0.346 175.247 174.900 0.000 0.000 1.172 320 G CA 0.474 45.611 45.100 0.062 0.000 0.966 320 G HN 0.634 nan 8.290 nan 0.000 0.542 321 D N 1.164 121.503 120.400 -0.101 0.000 2.469 321 D HA 0.244 4.884 4.640 -0.000 0.000 0.215 321 D C 0.913 176.958 176.300 -0.426 0.000 1.154 321 D CA 0.042 53.852 54.000 -0.316 0.000 0.832 321 D CB 0.280 40.743 40.800 -0.561 0.000 1.008 321 D HN 0.388 nan 8.370 nan 0.000 0.506 322 M N 1.273 120.752 119.600 -0.202 0.000 2.146 322 M HA 0.341 4.821 4.480 -0.000 0.000 0.357 322 M C -0.051 176.098 176.300 -0.251 0.000 1.261 322 M CA 0.083 55.283 55.300 -0.167 0.000 1.106 322 M CB 1.876 34.512 32.600 0.060 0.000 1.612 322 M HN -0.288 nan 8.290 nan 0.000 0.470 323 I N 2.856 123.125 120.570 -0.501 0.000 2.378 323 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 323 I C -0.297 175.600 176.117 -0.366 0.000 0.992 323 I CA -0.626 60.332 61.300 -0.571 0.000 1.154 323 I CB 1.229 38.557 38.000 -1.119 0.000 1.315 323 I HN 0.635 nan 8.210 nan 0.000 0.448 324 H N 6.387 125.370 119.070 -0.145 0.000 2.505 324 H HA 0.291 4.847 4.556 -0.000 0.000 0.338 324 H C -2.171 173.282 175.328 0.209 0.000 1.057 324 H CA -0.597 55.465 56.048 0.023 0.000 1.202 324 H CB 1.842 31.617 29.762 0.022 0.000 1.466 324 H HN 0.745 nan 8.280 nan 0.000 0.499 325 W N 9.059 130.008 121.300 -0.586 0.000 2.957 325 W HA 0.313 4.973 4.660 -0.000 0.000 0.327 325 W C -0.624 175.742 176.519 -0.255 0.000 1.039 325 W CA -0.449 56.723 57.345 -0.288 0.000 1.257 325 W CB 0.393 29.843 29.460 -0.017 0.000 1.238 325 W HN 0.898 nan 8.180 nan 0.000 0.406 326 R N 2.478 122.527 120.500 -0.752 0.000 3.988 326 R HA -0.358 3.982 4.340 -0.000 0.000 0.345 326 R C 0.650 176.668 176.300 -0.470 0.000 0.241 326 R CA 1.887 57.591 56.100 -0.659 0.000 1.136 326 R CB -1.352 28.370 30.300 -0.963 0.000 1.014 326 R HN 0.769 nan 8.270 nan 0.000 0.555 327 N N -0.143 118.225 118.700 -0.553 0.000 2.398 327 N HA 0.054 4.794 4.740 -0.000 0.000 0.188 327 N C -0.092 175.024 175.510 -0.657 0.000 1.122 327 N CA 0.027 52.657 53.050 -0.700 0.000 0.866 327 N CB 0.108 37.824 38.487 -1.284 0.000 0.970 327 N HN 0.202 nan 8.380 nan 0.000 0.462 328 W N 1.331 122.473 121.300 -0.262 0.000 2.381 328 W HA 0.362 5.022 4.660 -0.000 0.000 0.329 328 W C -0.210 176.342 176.519 0.056 0.000 1.157 328 W CA -0.530 56.820 57.345 0.009 0.000 1.240 328 W CB 0.936 30.524 29.460 0.214 0.000 1.199 328 W HN -0.185 nan 8.180 nan 0.000 0.579 329 D N 2.582 123.283 120.400 0.502 0.000 2.890 329 D HA 0.325 4.965 4.640 -0.000 0.000 0.233 329 D C -1.146 175.410 176.300 0.427 0.000 1.306 329 D CA -0.309 53.895 54.000 0.339 0.000 0.929 329 D CB 1.836 42.824 40.800 0.312 0.000 1.512 329 D HN 0.226 nan 8.370 nan 0.000 0.568 330 F N -0.790 119.212 119.950 0.088 0.000 2.711 330 F HA 0.469 4.996 4.527 -0.000 0.000 0.313 330 F C -1.270 174.522 175.800 -0.013 0.000 1.141 330 F CA -1.008 57.017 58.000 0.041 0.000 0.941 330 F CB 1.709 40.671 39.000 -0.065 0.000 1.349 330 F HN 0.145 nan 8.300 nan 0.000 0.464 331 H N 2.237 121.305 119.070 -0.005 0.000 2.481 331 H HA 0.624 5.180 4.556 -0.000 0.000 0.333 331 H C -1.993 173.244 175.328 -0.152 0.000 1.066 331 H CA -0.746 55.162 56.048 -0.233 0.000 1.209 331 H CB 2.062 31.518 29.762 -0.510 0.000 1.445 331 H HN 0.824 nan 8.280 nan 0.000 0.488 332 L N 5.245 126.142 121.223 -0.543 0.000 2.298 332 L HA 0.354 4.694 4.340 -0.000 0.000 0.284 332 L C -0.724 175.889 176.870 -0.428 0.000 1.013 332 L CA -0.157 54.486 54.840 -0.327 0.000 0.824 332 L CB 1.119 43.057 42.059 -0.202 0.000 1.221 332 L HN 0.692 nan 8.230 nan 0.000 0.418 333 S N 4.202 119.753 115.700 -0.248 0.000 2.667 333 S HA 0.853 5.323 4.470 -0.000 0.000 0.292 333 S C -0.678 173.801 174.600 -0.201 0.000 1.126 333 S CA -0.919 57.178 58.200 -0.173 0.000 0.881 333 S CB 1.765 64.960 63.200 -0.009 0.000 1.132 333 S HN 0.620 nan 8.310 nan 0.000 0.492 334 M N 2.583 122.084 119.600 -0.166 0.000 2.383 334 M HA 0.518 4.998 4.480 -0.000 0.000 0.325 334 M C -1.124 175.086 176.300 -0.150 0.000 1.092 334 M CA -0.460 54.724 55.300 -0.194 0.000 0.961 334 M CB 1.694 34.205 32.600 -0.148 0.000 1.672 334 M HN 0.885 nan 8.290 nan 0.000 0.438 335 N N 1.261 119.856 118.700 -0.176 0.000 2.258 335 N HA 0.274 5.014 4.740 -0.000 0.000 0.299 335 N C 0.056 175.521 175.510 -0.074 0.000 1.047 335 N CA 0.103 53.091 53.050 -0.103 0.000 0.814 335 N CB 1.778 40.210 38.487 -0.092 0.000 1.413 335 N HN 0.855 nan 8.380 nan 0.000 0.478 336 S N 3.050 118.740 115.700 -0.016 0.000 2.442 336 S HA -0.137 4.333 4.470 -0.000 0.000 0.236 336 S C 1.671 176.299 174.600 0.046 0.000 1.007 336 S CA 0.747 58.964 58.200 0.028 0.000 0.965 336 S CB 0.046 63.274 63.200 0.047 0.000 0.773 336 S HN 0.729 nan 8.310 nan 0.000 0.504 337 R N 0.912 121.423 120.500 0.019 0.000 2.062 337 R HA 0.107 4.447 4.340 -0.000 0.000 0.218 337 R C 2.109 178.427 176.300 0.031 0.000 1.161 337 R CA 1.380 57.487 56.100 0.012 0.000 0.994 337 R CB -0.147 30.117 30.300 -0.061 0.000 0.888 337 R HN 0.439 nan 8.270 nan 0.000 0.442 338 V N -1.688 118.224 119.914 -0.004 0.000 3.647 338 V HA 0.445 4.565 4.120 -0.000 0.000 0.279 338 V C 0.866 176.770 176.094 -0.316 0.000 1.314 338 V CA 0.411 62.688 62.300 -0.040 0.000 1.125 338 V CB -0.170 31.669 31.823 0.027 0.000 0.907 338 V HN 0.674 nan 8.190 nan 0.000 0.434 339 G N 1.381 109.919 108.800 -0.437 0.000 2.496 339 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.243 339 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.243 339 G C -2.516 171.893 174.900 -0.819 0.000 1.176 339 G CA -0.152 44.332 45.100 -1.027 0.000 0.940 339 G HN 0.632 nan 8.290 nan 0.000 0.573 340 P HA 0.368 nan 4.420 nan 0.000 0.271 340 P C -0.497 176.473 177.300 -0.550 0.000 1.216 340 P CA 0.505 63.224 63.100 -0.634 0.000 0.771 340 P CB 0.558 31.915 31.700 -0.572 0.000 0.864 341 M N 3.781 123.110 119.600 -0.452 0.000 2.197 341 M HA 0.384 4.864 4.480 -0.000 0.000 0.301 341 M C -0.328 175.727 176.300 -0.409 0.000 0.987 341 M CA -0.898 54.145 55.300 -0.429 0.000 0.921 341 M CB 2.078 34.501 32.600 -0.294 0.000 1.569 341 M HN 0.129 nan 8.290 nan 0.000 0.431 342 I N 2.758 123.013 120.570 -0.526 0.000 2.297 342 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 342 I C -0.004 175.964 176.117 -0.247 0.000 1.033 342 I CA 0.054 61.141 61.300 -0.356 0.000 1.253 342 I CB 0.648 38.337 38.000 -0.519 0.000 1.396 342 I HN 0.625 nan 8.210 nan 0.000 0.476 343 S N 3.134 118.748 115.700 -0.144 0.000 2.638 343 S HA 0.482 4.952 4.470 -0.000 0.000 0.302 343 S C 0.115 174.614 174.600 -0.169 0.000 1.096 343 S CA -0.624 57.401 58.200 -0.290 0.000 0.953 343 S CB 1.773 64.709 63.200 -0.441 0.000 1.107 343 S HN 0.800 nan 8.310 nan 0.000 0.503 344 T N -1.368 112.938 114.554 -0.413 0.000 3.361 344 T HA -0.153 4.197 4.350 -0.000 0.000 0.417 344 T C -0.148 174.712 174.700 0.268 0.000 0.769 344 T CA -0.028 61.891 62.100 -0.302 0.000 2.085 344 T CB -2.407 66.379 68.868 -0.136 0.000 1.689 344 T HN 0.433 nan 8.240 nan 0.000 0.639 345 V N 2.991 123.137 119.914 0.386 0.000 2.432 345 V HA 0.677 4.796 4.120 -0.000 0.000 0.271 345 V C 1.093 177.574 176.094 0.646 0.000 1.046 345 V CA 0.130 62.749 62.300 0.533 0.000 0.945 345 V CB 1.146 33.231 31.823 0.437 0.000 0.992 345 V HN 1.042 nan 8.190 nan 0.000 0.471 346 T N 2.013 116.938 114.554 0.618 0.000 2.906 346 T HA 0.648 4.998 4.350 -0.000 0.000 0.295 346 T C -1.204 173.752 174.700 0.427 0.000 1.075 346 T CA -0.757 61.633 62.100 0.483 0.000 1.005 346 T CB 1.926 71.015 68.868 0.368 0.000 1.136 346 T HN 0.406 nan 8.240 nan 0.000 0.498 347 Y N 1.610 122.003 120.300 0.155 0.000 2.328 347 Y HA 0.465 5.015 4.550 -0.000 0.000 0.336 347 Y C 0.077 176.009 175.900 0.054 0.000 0.960 347 Y CA -1.251 56.798 58.100 -0.085 0.000 1.134 347 Y CB 1.453 39.798 38.460 -0.191 0.000 1.166 347 Y HN 0.924 nan 8.280 nan 0.000 0.464 348 N N 4.930 123.540 118.700 -0.149 0.000 2.448 348 N HA -0.022 4.718 4.740 -0.000 0.000 0.250 348 N C -1.103 174.505 175.510 0.164 0.000 1.136 348 N CA -0.263 52.798 53.050 0.019 0.000 0.953 348 N CB 0.094 38.550 38.487 -0.051 0.000 1.251 348 N HN 0.577 nan 8.380 nan 0.000 0.502 349 D N 3.305 123.910 120.400 0.341 0.000 2.402 349 D HA 0.018 4.658 4.640 -0.000 0.000 0.235 349 D C -0.053 176.354 176.300 0.178 0.000 1.226 349 D CA -0.014 54.212 54.000 0.376 0.000 0.918 349 D CB -0.359 40.646 40.800 0.342 0.000 1.043 349 D HN 0.631 nan 8.370 nan 0.000 0.506 350 N N 3.172 121.952 118.700 0.133 0.000 2.707 350 N HA -0.266 4.474 4.740 -0.000 0.000 0.253 350 N C 0.940 176.476 175.510 0.044 0.000 0.998 350 N CA 1.673 54.763 53.050 0.066 0.000 0.751 350 N CB -0.929 37.593 38.487 0.058 0.000 0.920 350 N HN 0.725 nan 8.380 nan 0.000 0.539 351 G N -2.818 106.006 108.800 0.041 0.000 2.259 351 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 351 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 351 G C 0.148 175.066 174.900 0.031 0.000 1.001 351 G CA 0.196 45.311 45.100 0.026 0.000 0.627 351 G HN 0.601 nan 8.290 nan 0.000 0.501 352 T N 2.236 116.818 114.554 0.047 0.000 2.770 352 T HA 0.532 4.882 4.350 -0.000 0.000 0.283 352 T C -0.086 174.659 174.700 0.074 0.000 0.988 352 T CA -0.477 61.649 62.100 0.042 0.000 0.957 352 T CB 1.661 70.542 68.868 0.021 0.000 0.930 352 T HN 0.284 nan 8.240 nan 0.000 0.443 353 K N 3.681 124.122 120.400 0.068 0.000 2.349 353 K HA 0.298 4.618 4.320 -0.000 0.000 0.289 353 K C 0.154 176.808 176.600 0.089 0.000 1.064 353 K CA -0.193 56.157 56.287 0.104 0.000 0.947 353 K CB 0.845 33.411 32.500 0.110 0.000 1.007 353 K HN 0.362 nan 8.250 nan 0.000 0.478 354 R N 2.713 123.306 120.500 0.154 0.000 2.393 354 R HA 0.208 4.548 4.340 -0.000 0.000 0.310 354 R C -0.341 176.063 176.300 0.175 0.000 0.968 354 R CA -0.831 55.348 56.100 0.132 0.000 0.867 354 R CB 1.504 31.906 30.300 0.170 0.000 1.124 354 R HN 0.358 nan 8.270 nan 0.000 0.450 355 K N 1.210 121.611 120.400 0.001 0.000 2.436 355 K HA 0.023 4.343 4.320 -0.000 0.000 0.275 355 K C 0.271 176.960 176.600 0.147 0.000 0.999 355 K CA -0.045 56.196 56.287 -0.076 0.000 0.980 355 K CB 0.838 33.071 32.500 -0.444 0.000 0.919 355 K HN 0.325 nan 8.250 nan 0.000 0.484 356 V N 1.777 121.824 119.914 0.222 0.000 3.177 356 V HA 0.143 4.263 4.120 -0.000 0.000 0.219 356 V C -0.128 176.012 176.094 0.077 0.000 1.344 356 V CA -0.000 62.332 62.300 0.054 0.000 1.324 356 V CB 0.450 32.343 31.823 0.118 0.000 1.165 356 V HN 0.770 nan 8.190 nan 0.000 0.510 357 M N -1.181 118.584 119.600 0.275 0.000 2.277 357 M HA 0.380 4.860 4.480 -0.000 0.000 0.282 357 M C -0.161 176.324 176.300 0.308 0.000 1.074 357 M CA -0.576 54.855 55.300 0.219 0.000 0.954 357 M CB 2.247 34.888 32.600 0.068 0.000 1.672 357 M HN 0.270 nan 8.290 nan 0.000 0.471 358 Y N 3.764 124.151 120.300 0.145 0.000 2.184 358 Y HA 0.220 4.770 4.550 -0.000 0.000 0.290 358 Y C -0.317 175.431 175.900 -0.253 0.000 1.129 358 Y CA 1.585 59.572 58.100 -0.187 0.000 1.144 358 Y CB 0.586 38.914 38.460 -0.221 0.000 0.995 358 Y HN 0.621 nan 8.280 nan 0.000 0.513 359 E N -1.159 118.877 120.200 -0.274 0.000 2.321 359 E HA 0.534 4.883 4.350 -0.000 0.000 0.278 359 E C -1.217 175.264 176.600 -0.199 0.000 0.902 359 E CA -0.415 55.780 56.400 -0.342 0.000 0.758 359 E CB 1.925 31.411 29.700 -0.357 0.000 1.213 359 E HN 0.253 nan 8.360 nan 0.000 0.426 360 G N 0.731 109.389 108.800 -0.236 0.000 2.682 360 G HA2 0.663 4.623 3.960 -0.000 0.000 0.300 360 G HA3 0.663 4.623 3.960 -0.000 0.000 0.300 360 G C -0.916 173.810 174.900 -0.290 0.000 1.391 360 G CA -0.388 44.621 45.100 -0.151 0.000 0.990 360 G HN 0.535 nan 8.290 nan 0.000 0.501 361 S N 0.524 116.238 115.700 0.023 0.000 2.643 361 S HA 0.548 5.018 4.470 -0.000 0.000 0.266 361 S C -1.217 173.638 174.600 0.426 0.000 1.130 361 S CA -0.837 57.396 58.200 0.054 0.000 0.817 361 S CB 0.996 64.115 63.200 -0.136 0.000 1.107 361 S HN 1.710 nan 8.310 nan 0.000 0.471 362 L N 2.223 123.686 121.223 0.401 0.000 2.490 362 L HA 0.595 4.935 4.340 -0.000 0.000 0.274 362 L C 1.245 178.191 176.870 0.128 0.000 1.201 362 L CA 1.451 56.452 54.840 0.267 0.000 0.869 362 L CB 0.246 42.339 42.059 0.056 0.000 1.123 362 L HN 1.019 nan 8.230 nan 0.000 0.484 363 G N 3.036 111.880 108.800 0.074 0.000 2.471 363 G HA2 0.472 4.432 3.960 -0.000 0.000 0.211 363 G HA3 0.472 4.432 3.960 -0.000 0.000 0.211 363 G C 0.407 175.384 174.900 0.128 0.000 1.194 363 G CA 0.492 45.675 45.100 0.140 0.000 0.816 363 G HN 1.142 nan 8.290 nan 0.000 0.545 364 G N -1.124 107.662 108.800 -0.025 0.000 2.451 364 G HA2 0.566 4.526 3.960 -0.000 0.000 0.292 364 G HA3 0.566 4.526 3.960 -0.000 0.000 0.292 364 G C -1.085 173.791 174.900 -0.040 0.000 1.427 364 G CA -0.320 44.746 45.100 -0.056 0.000 0.792 364 G HN 0.805 nan 8.290 nan 0.000 0.498 365 M N -0.665 118.972 119.600 0.061 0.000 2.644 365 M HA 0.884 5.364 4.480 -0.000 0.000 0.273 365 M C -1.793 174.616 176.300 0.183 0.000 1.253 365 M CA -1.082 54.302 55.300 0.140 0.000 0.852 365 M CB 2.740 35.398 32.600 0.097 0.000 1.708 365 M HN 0.785 nan 8.290 nan 0.000 0.471 366 I N 1.550 122.204 120.570 0.140 0.000 2.752 366 I HA 0.631 4.801 4.170 -0.000 0.000 0.295 366 I C -1.844 174.300 176.117 0.045 0.000 1.219 366 I CA -0.912 60.462 61.300 0.125 0.000 1.030 366 I CB 2.513 40.591 38.000 0.130 0.000 1.259 366 I HN 0.663 nan 8.210 nan 0.000 0.423 367 V N 8.447 128.426 119.914 0.108 0.000 2.266 367 V HA 0.380 4.500 4.120 -0.000 0.000 0.266 367 V C -2.315 173.813 176.094 0.058 0.000 1.036 367 V CA -1.166 61.170 62.300 0.061 0.000 0.828 367 V CB 0.841 32.783 31.823 0.198 0.000 1.081 367 V HN 0.548 nan 8.190 nan 0.000 0.449 368 P HA 0.372 nan 4.420 nan 0.000 0.284 368 P C -1.325 176.054 177.300 0.132 0.000 1.253 368 P CA -0.291 62.914 63.100 0.175 0.000 0.800 368 P CB 1.485 33.382 31.700 0.328 0.000 0.961 369 Y N 0.226 120.620 120.300 0.158 0.000 2.488 369 Y HA 0.497 5.047 4.550 -0.000 0.000 0.325 369 Y C 1.828 177.801 175.900 0.122 0.000 1.204 369 Y CA 0.153 58.339 58.100 0.143 0.000 1.229 369 Y CB 1.188 39.735 38.460 0.146 0.000 1.274 369 Y HN 0.475 nan 8.280 nan 0.000 0.493 370 G N -0.149 108.715 108.800 0.107 0.000 3.393 370 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.255 370 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.255 370 G C -0.445 174.371 174.900 -0.140 0.000 1.097 370 G CA -0.088 44.987 45.100 -0.041 0.000 0.780 370 G HN 0.517 nan 8.290 nan 0.000 0.540 371 D N 1.038 121.369 120.400 -0.115 0.000 2.225 371 D HA 0.202 4.842 4.640 -0.000 0.000 0.248 371 D C -1.330 174.842 176.300 -0.213 0.000 1.096 371 D CA -1.727 52.034 54.000 -0.398 0.000 0.863 371 D CB 2.911 43.492 40.800 -0.364 0.000 1.156 371 D HN 0.026 nan 8.370 nan 0.000 0.450 372 P HA 0.005 nan 4.420 nan 0.000 0.227 372 P C -0.079 177.259 177.300 0.064 0.000 1.161 372 P CA -0.007 63.022 63.100 -0.118 0.000 0.788 372 P CB 0.595 32.165 31.700 -0.217 0.000 0.822 373 D N 0.203 120.644 120.400 0.070 0.000 2.370 373 D HA -0.076 4.564 4.640 -0.000 0.000 0.235 373 D C 1.550 178.070 176.300 0.367 0.000 1.228 373 D CA -0.057 54.065 54.000 0.203 0.000 0.884 373 D CB 0.327 41.255 40.800 0.214 0.000 1.201 373 D HN -0.130 nan 8.370 nan 0.000 0.456 374 I N 1.065 121.826 120.570 0.318 0.000 2.185 374 I HA -0.192 3.978 4.170 -0.000 0.000 0.246 374 I C 1.967 178.273 176.117 0.315 0.000 1.088 374 I CA 1.960 63.473 61.300 0.355 0.000 1.347 374 I CB -0.407 37.717 38.000 0.206 0.000 1.041 374 I HN 0.493 nan 8.210 nan 0.000 0.415 375 G N -2.478 106.461 108.800 0.232 0.000 3.233 375 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.227 375 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.227 375 G C 0.569 175.171 174.900 -0.498 0.000 1.175 375 G CA 0.090 45.184 45.100 -0.010 0.000 0.781 375 G HN 0.531 nan 8.290 nan 0.000 0.542 376 W N -1.571 119.598 121.300 -0.219 0.000 3.336 376 W HA 0.182 4.842 4.660 -0.000 0.000 0.221 376 W C 1.976 178.217 176.519 -0.464 0.000 1.086 376 W CA -0.293 56.791 57.345 -0.434 0.000 1.457 376 W CB -0.411 28.926 29.460 -0.204 0.000 0.756 376 W HN 0.203 nan 8.180 nan 0.000 0.783 377 Y N 1.041 121.350 120.300 0.016 0.000 2.283 377 Y HA -0.289 4.261 4.550 -0.000 0.000 0.285 377 Y C 1.655 177.610 175.900 0.093 0.000 1.176 377 Y CA 1.525 59.647 58.100 0.038 0.000 1.229 377 Y CB -1.824 36.638 38.460 0.003 0.000 0.975 377 Y HN 0.081 nan 8.280 nan 0.000 0.537 378 F N 0.222 119.915 119.950 -0.429 0.000 2.746 378 F HA 0.360 4.887 4.527 -0.000 0.000 0.297 378 F C 0.977 176.757 175.800 -0.033 0.000 1.113 378 F CA -1.134 56.820 58.000 -0.076 0.000 1.367 378 F CB -0.556 38.249 39.000 -0.325 0.000 1.111 378 F HN -0.165 nan 8.300 nan 0.000 0.590 379 K N 2.313 122.210 120.400 -0.837 0.000 2.250 379 K HA 0.428 4.748 4.320 -0.000 0.000 0.277 379 K C -0.643 175.699 176.600 -0.430 0.000 1.091 379 K CA 0.300 56.117 56.287 -0.783 0.000 1.046 379 K CB -0.320 31.629 32.500 -0.918 0.000 0.982 379 K HN 0.368 nan 8.250 nan 0.000 0.429 380 A N 5.694 128.250 122.820 -0.439 0.000 3.007 380 A HA 0.245 4.565 4.320 -0.000 0.000 0.314 380 A C -1.623 175.897 177.584 -0.107 0.000 1.153 380 A CA -0.727 51.192 52.037 -0.196 0.000 0.780 380 A CB 0.206 19.166 19.000 -0.067 0.000 1.258 380 A HN 0.573 nan 8.150 nan 0.000 0.460 381 Y N 0.966 121.373 120.300 0.179 0.000 2.402 381 Y HA 0.397 4.946 4.550 -0.000 0.000 0.333 381 Y C 0.487 176.494 175.900 0.179 0.000 1.076 381 Y CA -0.662 57.553 58.100 0.192 0.000 1.299 381 Y CB 0.668 39.226 38.460 0.164 0.000 1.197 381 Y HN 0.471 nan 8.280 nan 0.000 0.517 382 L N 4.652 126.104 121.223 0.382 0.000 2.504 382 L HA 0.230 4.570 4.340 -0.000 0.000 0.249 382 L C 0.689 177.749 176.870 0.317 0.000 1.120 382 L CA -0.276 54.724 54.840 0.267 0.000 0.997 382 L CB 0.366 42.536 42.059 0.184 0.000 1.349 382 L HN 0.704 nan 8.230 nan 0.000 0.439 383 D N 0.538 121.114 120.400 0.294 0.000 2.126 383 D HA -0.226 4.414 4.640 -0.000 0.000 0.190 383 D C 2.036 178.507 176.300 0.284 0.000 1.001 383 D CA 2.180 56.353 54.000 0.288 0.000 0.841 383 D CB 0.168 41.101 40.800 0.221 0.000 0.949 383 D HN 0.585 nan 8.370 nan 0.000 0.446 384 S N 0.259 116.074 115.700 0.192 0.000 2.345 384 S HA -0.043 4.427 4.470 -0.000 0.000 0.219 384 S C 2.318 176.955 174.600 0.061 0.000 1.031 384 S CA 1.337 59.622 58.200 0.142 0.000 0.984 384 S CB -0.984 62.277 63.200 0.101 0.000 0.874 384 S HN 0.274 nan 8.310 nan 0.000 0.451 385 G N 1.760 110.563 108.800 0.004 0.000 2.446 385 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 385 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 385 G C 1.118 175.988 174.900 -0.049 0.000 1.168 385 G CA 1.156 46.194 45.100 -0.102 0.000 0.771 385 G HN 0.529 nan 8.290 nan 0.000 0.551 386 D N -1.309 119.117 120.400 0.045 0.000 2.346 386 D HA 0.099 4.739 4.640 -0.000 0.000 0.206 386 D C 1.193 177.326 176.300 -0.278 0.000 1.001 386 D CA 0.481 54.427 54.000 -0.090 0.000 0.871 386 D CB 0.232 40.987 40.800 -0.075 0.000 0.943 386 D HN 0.477 nan 8.370 nan 0.000 0.518 387 Y N -0.401 119.956 120.300 0.095 0.000 2.423 387 Y HA 0.330 4.880 4.550 -0.000 0.000 0.257 387 Y C 1.076 177.041 175.900 0.108 0.000 1.087 387 Y CA 0.002 58.180 58.100 0.130 0.000 1.258 387 Y CB 0.988 39.549 38.460 0.170 0.000 1.237 387 Y HN -0.114 nan 8.280 nan 0.000 0.517 388 G N 1.546 110.472 108.800 0.210 0.000 2.788 388 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.249 388 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.249 388 G C 0.458 175.486 174.900 0.214 0.000 1.008 388 G CA 0.223 45.419 45.100 0.160 0.000 1.220 388 G HN 0.263 nan 8.290 nan 0.000 0.506 389 M N 1.005 120.759 119.600 0.255 0.000 2.229 389 M HA 0.000 4.480 4.480 -0.000 0.000 0.264 389 M C 2.721 179.322 176.300 0.502 0.000 1.063 389 M CA 2.145 57.661 55.300 0.360 0.000 1.114 389 M CB -0.129 32.739 32.600 0.448 0.000 1.387 389 M HN 0.630 nan 8.290 nan 0.000 0.420 390 G N -0.206 108.820 108.800 0.376 0.000 2.402 390 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 390 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 390 G C 1.474 176.518 174.900 0.239 0.000 1.162 390 G CA 1.307 46.582 45.100 0.291 0.000 0.777 390 G HN 0.347 nan 8.290 nan 0.000 0.539 391 T N 1.225 115.885 114.554 0.177 0.000 2.788 391 T HA 0.005 4.355 4.350 -0.000 0.000 0.268 391 T C 1.919 176.701 174.700 0.136 0.000 1.044 391 T CA 0.562 62.744 62.100 0.137 0.000 1.139 391 T CB -0.140 68.800 68.868 0.120 0.000 0.867 391 T HN 0.111 nan 8.240 nan 0.000 0.454 392 L N 1.772 123.090 121.223 0.158 0.000 2.688 392 L HA 0.152 4.492 4.340 -0.000 0.000 0.234 392 L C 0.485 177.427 176.870 0.121 0.000 1.192 392 L CA -0.279 54.630 54.840 0.115 0.000 0.984 392 L CB -0.651 41.471 42.059 0.104 0.000 1.232 392 L HN 0.105 nan 8.230 nan 0.000 0.465 393 T N 0.104 114.778 114.554 0.200 0.000 2.934 393 T HA -0.001 4.349 4.350 -0.000 0.000 0.306 393 T C 0.634 175.389 174.700 0.091 0.000 1.042 393 T CA 0.349 62.580 62.100 0.217 0.000 1.145 393 T CB 0.622 69.725 68.868 0.393 0.000 0.982 393 T HN 0.146 nan 8.240 nan 0.000 0.544 394 S N 5.232 120.939 115.700 0.012 0.000 2.422 394 S HA 0.350 4.820 4.470 -0.000 0.000 0.308 394 S C -2.239 172.376 174.600 0.025 0.000 1.097 394 S CA -1.201 56.999 58.200 -0.001 0.000 1.099 394 S CB 0.995 64.163 63.200 -0.054 0.000 0.976 394 S HN 0.460 nan 8.310 nan 0.000 0.471 395 P HA 0.064 nan 4.420 nan 0.000 0.262 395 P C -0.401 176.920 177.300 0.034 0.000 1.182 395 P CA 0.109 63.236 63.100 0.046 0.000 0.761 395 P CB 0.234 31.953 31.700 0.032 0.000 0.795 396 I N 2.285 122.885 120.570 0.050 0.000 2.618 396 I HA 0.073 4.242 4.170 -0.000 0.000 0.284 396 I C 0.868 176.998 176.117 0.021 0.000 1.146 396 I CA -0.126 61.199 61.300 0.042 0.000 1.425 396 I CB 0.578 38.622 38.000 0.074 0.000 1.383 396 I HN 0.350 nan 8.210 nan 0.000 0.562 397 A N 7.906 130.731 122.820 0.008 0.000 2.437 397 A HA 0.202 4.522 4.320 -0.000 0.000 0.303 397 A C 0.583 178.164 177.584 -0.006 0.000 1.324 397 A CA -0.392 51.644 52.037 -0.002 0.000 0.983 397 A CB -0.095 18.901 19.000 -0.007 0.000 1.142 397 A HN 0.824 nan 8.150 nan 0.000 0.541 398 R N 2.085 122.581 120.500 -0.006 0.000 2.523 398 R HA 0.163 4.503 4.340 -0.000 0.000 0.281 398 R C 1.449 177.737 176.300 -0.020 0.000 0.969 398 R CA 1.691 57.784 56.100 -0.011 0.000 1.093 398 R CB -0.007 30.287 30.300 -0.011 0.000 0.917 398 R HN 1.589 nan 8.270 nan 0.000 0.408 399 G N 3.133 111.911 108.800 -0.036 0.000 2.245 399 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.264 399 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.264 399 G C 0.705 175.576 174.900 -0.048 0.000 0.985 399 G CA 0.886 45.960 45.100 -0.043 0.000 0.625 399 G HN 0.666 nan 8.290 nan 0.000 0.536 400 K N -0.874 119.502 120.400 -0.039 0.000 2.309 400 K HA 0.146 4.466 4.320 -0.000 0.000 0.210 400 K C 1.382 177.963 176.600 -0.032 0.000 1.114 400 K CA 0.396 56.664 56.287 -0.032 0.000 0.912 400 K CB 0.069 32.558 32.500 -0.018 0.000 1.198 400 K HN 0.090 nan 8.250 nan 0.000 0.471 401 D N 0.868 121.254 120.400 -0.024 0.000 2.312 401 D HA 0.036 4.676 4.640 -0.000 0.000 0.211 401 D C 0.086 176.376 176.300 -0.016 0.000 0.964 401 D CA 0.541 54.538 54.000 -0.004 0.000 0.877 401 D CB 0.470 41.275 40.800 0.008 0.000 0.924 401 D HN 0.178 nan 8.370 nan 0.000 0.515 402 A N 0.570 123.334 122.820 -0.093 0.000 2.572 402 A HA 0.546 4.866 4.320 -0.000 0.000 0.295 402 A C -2.671 174.706 177.584 -0.344 0.000 1.072 402 A CA -1.335 50.536 52.037 -0.277 0.000 0.691 402 A CB 1.733 20.626 19.000 -0.178 0.000 1.291 402 A HN -0.229 nan 8.150 nan 0.000 0.404 403 P HA 0.033 nan 4.420 nan 0.000 0.269 403 P C 0.881 178.062 177.300 -0.197 0.000 1.217 403 P CA 0.516 63.400 63.100 -0.360 0.000 0.783 403 P CB 0.720 32.153 31.700 -0.444 0.000 0.898 404 S N 0.224 115.872 115.700 -0.087 0.000 2.500 404 S HA -0.142 4.328 4.470 -0.000 0.000 0.239 404 S C 1.178 175.797 174.600 0.031 0.000 0.989 404 S CA 0.749 58.939 58.200 -0.016 0.000 0.951 404 S CB -1.062 62.146 63.200 0.012 0.000 0.759 404 S HN 0.645 nan 8.310 nan 0.000 0.523 405 N N 1.712 120.432 118.700 0.034 0.000 2.276 405 N HA 0.312 5.052 4.740 -0.000 0.000 0.212 405 N C 0.120 175.728 175.510 0.163 0.000 1.127 405 N CA 0.152 53.269 53.050 0.110 0.000 0.834 405 N CB 0.020 38.582 38.487 0.125 0.000 1.014 405 N HN 0.457 nan 8.380 nan 0.000 0.491 406 A N 0.283 123.172 122.820 0.115 0.000 2.286 406 A HA 0.571 4.891 4.320 -0.000 0.000 0.286 406 A C -0.244 177.467 177.584 0.212 0.000 1.097 406 A CA -0.503 51.656 52.037 0.204 0.000 0.821 406 A CB 1.045 20.113 19.000 0.112 0.000 1.076 406 A HN 0.065 nan 8.150 nan 0.000 0.490 407 V N 2.093 122.162 119.914 0.260 0.000 2.384 407 V HA 0.314 4.434 4.120 -0.000 0.000 0.287 407 V C -0.351 175.869 176.094 0.210 0.000 1.020 407 V CA -0.213 62.240 62.300 0.254 0.000 0.850 407 V CB 1.105 33.123 31.823 0.325 0.000 0.987 407 V HN 0.672 nan 8.190 nan 0.000 0.436 408 L N 6.368 127.694 121.223 0.172 0.000 2.272 408 L HA 0.555 4.895 4.340 -0.000 0.000 0.289 408 L C -0.439 176.510 176.870 0.133 0.000 1.032 408 L CA -0.344 54.576 54.840 0.133 0.000 0.810 408 L CB 1.198 43.304 42.059 0.079 0.000 1.205 408 L HN 0.398 nan 8.230 nan 0.000 0.422 409 L N 3.477 124.779 121.223 0.131 0.000 2.343 409 L HA 0.447 4.787 4.340 -0.000 0.000 0.275 409 L C -0.102 176.802 176.870 0.057 0.000 1.056 409 L CA -0.702 54.204 54.840 0.109 0.000 0.804 409 L CB 1.226 43.353 42.059 0.113 0.000 1.203 409 L HN 0.585 nan 8.230 nan 0.000 0.440 410 N N 1.893 120.604 118.700 0.018 0.000 2.443 410 N HA 0.401 5.141 4.740 -0.000 0.000 0.295 410 N C -0.758 174.752 175.510 0.000 0.000 1.076 410 N CA -0.547 52.506 53.050 0.005 0.000 0.919 410 N CB 2.015 40.488 38.487 -0.024 0.000 1.176 410 N HN 0.480 nan 8.380 nan 0.000 0.487 411 E N 0.419 120.623 120.200 0.006 0.000 2.343 411 E HA 0.479 4.829 4.350 -0.000 0.000 0.270 411 E C -0.741 175.854 176.600 -0.008 0.000 0.895 411 E CA -0.573 55.821 56.400 -0.010 0.000 0.767 411 E CB 2.154 31.845 29.700 -0.016 0.000 1.248 411 E HN 0.331 nan 8.360 nan 0.000 0.440 412 T N 2.222 116.764 114.554 -0.020 0.000 2.824 412 T HA 0.686 5.036 4.350 -0.000 0.000 0.282 412 T C 0.177 174.865 174.700 -0.020 0.000 0.993 412 T CA -0.575 61.515 62.100 -0.017 0.000 0.967 412 T CB 0.521 69.375 68.868 -0.023 0.000 0.960 412 T HN 0.429 nan 8.240 nan 0.000 0.441 413 I N -0.475 120.089 120.570 -0.010 0.000 3.264 413 I HA 0.987 5.157 4.170 -0.000 0.000 0.315 413 I C -0.682 175.429 176.117 -0.011 0.000 1.154 413 I CA -1.840 59.455 61.300 -0.008 0.000 0.962 413 I CB 1.854 39.860 38.000 0.010 0.000 1.265 413 I HN 0.619 nan 8.210 nan 0.000 0.463 414 A N 1.738 124.549 122.820 -0.014 0.000 2.306 414 A HA 0.608 4.928 4.320 -0.000 0.000 0.314 414 A C -0.727 176.863 177.584 0.011 0.000 1.164 414 A CA -0.419 51.597 52.037 -0.034 0.000 0.822 414 A CB 0.454 19.407 19.000 -0.078 0.000 1.130 414 A HN 0.865 nan 8.150 nan 0.000 0.496 415 D N -0.050 120.350 120.400 0.001 0.000 2.451 415 D HA 0.170 4.810 4.640 -0.000 0.000 0.259 415 D C 0.724 177.086 176.300 0.103 0.000 1.201 415 D CA -0.012 54.030 54.000 0.069 0.000 1.028 415 D CB -0.066 40.756 40.800 0.037 0.000 1.095 415 D HN 0.622 nan 8.370 nan 0.000 0.539 416 Y N -2.341 118.019 120.300 0.100 0.000 2.569 416 Y HA -0.009 4.541 4.550 -0.000 0.000 0.293 416 Y C 1.666 177.733 175.900 0.279 0.000 1.144 416 Y CA 1.094 59.296 58.100 0.169 0.000 1.321 416 Y CB -1.296 37.236 38.460 0.121 0.000 0.982 416 Y HN 0.372 nan 8.280 nan 0.000 0.558 417 T N -3.754 110.589 114.554 -0.351 0.000 3.086 417 T HA 0.456 4.806 4.350 -0.000 0.000 0.250 417 T C 1.535 176.218 174.700 -0.027 0.000 1.074 417 T CA 0.198 62.214 62.100 -0.140 0.000 0.988 417 T CB -0.342 68.314 68.868 -0.353 0.000 0.988 417 T HN 0.878 nan 8.240 nan 0.000 0.530 418 G N 0.671 109.353 108.800 -0.197 0.000 2.136 418 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.242 418 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.242 418 G C -0.083 174.633 174.900 -0.306 0.000 0.989 418 G CA -0.087 44.686 45.100 -0.545 0.000 0.682 418 G HN 0.705 nan 8.290 nan 0.000 0.522 419 V N 1.186 120.988 119.914 -0.187 0.000 2.427 419 V HA 0.464 4.584 4.120 -0.000 0.000 0.286 419 V C -1.558 174.479 176.094 -0.096 0.000 1.034 419 V CA -1.816 60.405 62.300 -0.130 0.000 0.893 419 V CB 1.739 33.500 31.823 -0.104 0.000 0.982 419 V HN 0.084 nan 8.190 nan 0.000 0.452 420 P HA 0.082 nan 4.420 nan 0.000 0.265 420 P C -0.566 176.711 177.300 -0.037 0.000 1.187 420 P CA 0.325 63.391 63.100 -0.057 0.000 0.766 420 P CB 0.301 31.970 31.700 -0.052 0.000 0.820 421 M N 2.453 122.040 119.600 -0.022 0.000 2.165 421 M HA 0.269 4.749 4.480 -0.000 0.000 0.283 421 M C -0.869 175.431 176.300 0.000 0.000 0.978 421 M CA -0.509 54.788 55.300 -0.005 0.000 0.948 421 M CB 1.504 34.111 32.600 0.011 0.000 1.599 421 M HN 0.204 nan 8.290 nan 0.000 0.450 422 E N 5.649 125.848 120.200 -0.001 0.000 2.115 422 E HA 0.391 4.741 4.350 -0.000 0.000 0.282 422 E C -1.286 175.321 176.600 0.012 0.000 0.987 422 E CA -0.481 55.919 56.400 0.000 0.000 0.797 422 E CB 0.996 30.690 29.700 -0.009 0.000 1.086 422 E HN 0.739 nan 8.360 nan 0.000 0.397 423 I N 8.040 128.625 120.570 0.024 0.000 2.301 423 I HA 0.230 4.400 4.170 -0.000 0.000 0.292 423 I C -1.906 174.232 176.117 0.036 0.000 1.046 423 I CA -2.104 59.221 61.300 0.042 0.000 1.282 423 I CB 0.869 38.912 38.000 0.072 0.000 1.409 423 I HN 0.358 nan 8.210 nan 0.000 0.484 424 P HA 0.102 nan 4.420 nan 0.000 0.275 424 P C -0.496 176.824 177.300 0.033 0.000 1.227 424 P CA -0.257 62.852 63.100 0.015 0.000 0.781 424 P CB 0.624 32.325 31.700 0.002 0.000 0.906 425 R N 1.192 121.711 120.500 0.031 0.000 3.322 425 R HA -0.226 4.114 4.340 -0.000 0.000 0.253 425 R C 1.152 177.508 176.300 0.094 0.000 0.987 425 R CA 0.453 56.586 56.100 0.055 0.000 0.666 425 R CB -2.502 27.821 30.300 0.038 0.000 1.072 425 R HN 0.610 nan 8.270 nan 0.000 0.447 426 A N 0.290 123.175 122.820 0.109 0.000 1.969 426 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 426 A C 1.047 178.783 177.584 0.253 0.000 1.169 426 A CA 0.940 53.082 52.037 0.176 0.000 0.635 426 A CB 0.281 19.368 19.000 0.145 0.000 0.810 426 A HN 0.387 nan 8.150 nan 0.000 0.445 427 I N -1.359 119.324 120.570 0.189 0.000 2.619 427 I HA 0.536 4.706 4.170 -0.000 0.000 0.292 427 I C -0.324 175.903 176.117 0.183 0.000 1.100 427 I CA -0.756 60.672 61.300 0.213 0.000 1.043 427 I CB 2.233 40.315 38.000 0.137 0.000 1.239 427 I HN 0.107 nan 8.210 nan 0.000 0.420 428 A N 5.674 128.629 122.820 0.225 0.000 2.317 428 A HA 0.831 5.151 4.320 -0.000 0.000 0.327 428 A C -0.848 176.867 177.584 0.218 0.000 1.178 428 A CA -0.500 51.686 52.037 0.248 0.000 0.817 428 A CB 1.285 20.480 19.000 0.325 0.000 1.189 428 A HN 0.427 nan 8.150 nan 0.000 0.489 429 V N 3.151 123.162 119.914 0.162 0.000 2.444 429 V HA 0.713 4.833 4.120 -0.000 0.000 0.294 429 V C -0.957 175.161 176.094 0.040 0.000 1.022 429 V CA -0.275 61.978 62.300 -0.080 0.000 0.850 429 V CB 0.534 32.189 31.823 -0.279 0.000 0.992 429 V HN 0.887 nan 8.190 nan 0.000 0.426 430 F N 1.202 121.030 119.950 -0.204 0.000 2.641 430 F HA 0.731 5.258 4.527 -0.000 0.000 0.308 430 F C -0.764 174.950 175.800 -0.143 0.000 1.105 430 F CA -1.033 56.914 58.000 -0.089 0.000 0.964 430 F CB 1.548 40.549 39.000 0.003 0.000 1.294 430 F HN 0.455 nan 8.300 nan 0.000 0.442 431 E N 2.402 122.698 120.200 0.160 0.000 2.248 431 E HA 0.679 5.029 4.350 -0.000 0.000 0.272 431 E C -1.026 175.695 176.600 0.202 0.000 1.008 431 E CA -0.961 55.466 56.400 0.046 0.000 0.856 431 E CB 1.542 31.367 29.700 0.208 0.000 1.120 431 E HN 0.870 nan 8.360 nan 0.000 0.397 432 R N 2.414 122.993 120.500 0.132 0.000 2.707 432 R HA 0.212 4.552 4.340 -0.000 0.000 0.272 432 R C -1.542 174.843 176.300 0.142 0.000 1.011 432 R CA -0.937 55.270 56.100 0.180 0.000 0.893 432 R CB 0.473 30.897 30.300 0.205 0.000 1.233 432 R HN 0.525 nan 8.270 nan 0.000 0.464 433 Y N 1.599 121.930 120.300 0.053 0.000 2.442 433 Y HA 0.417 4.966 4.550 -0.000 0.000 0.330 433 Y C -0.384 175.513 175.900 -0.005 0.000 1.129 433 Y CA 0.359 58.475 58.100 0.027 0.000 1.365 433 Y CB 1.225 39.696 38.460 0.019 0.000 1.233 433 Y HN 0.814 nan 8.280 nan 0.000 0.529 434 A N 5.474 127.883 122.820 -0.685 0.000 2.959 434 A HA 0.608 4.928 4.320 -0.000 0.000 0.280 434 A C 0.636 177.825 177.584 -0.660 0.000 0.953 434 A CA 0.075 51.793 52.037 -0.531 0.000 1.047 434 A CB -0.844 17.959 19.000 -0.328 0.000 1.147 434 A HN 1.753 nan 8.150 nan 0.000 0.489 435 G N 0.892 108.957 108.800 -1.226 0.000 2.750 435 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.228 435 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.228 435 G C -2.845 171.800 174.900 -0.426 0.000 1.367 435 G CA -0.376 44.349 45.100 -0.624 0.000 0.871 435 G HN 0.540 nan 8.290 nan 0.000 0.560 436 P HA 0.258 nan 4.420 nan 0.000 0.276 436 P C 0.445 177.678 177.300 -0.111 0.000 1.230 436 P CA 0.094 63.149 63.100 -0.075 0.000 0.776 436 P CB 1.743 33.443 31.700 -0.001 0.000 0.888 437 E N 4.079 124.177 120.200 -0.170 0.000 2.072 437 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 437 E C 0.056 176.636 176.600 -0.034 0.000 0.985 437 E CA 1.742 58.050 56.400 -0.152 0.000 0.801 437 E CB -0.355 29.183 29.700 -0.270 0.000 0.750 437 E HN 0.586 nan 8.360 nan 0.000 0.452 438 Y N -2.902 117.403 120.300 0.008 0.000 2.677 438 Y HA 0.660 5.210 4.550 -0.000 0.000 0.334 438 Y C -1.157 174.760 175.900 0.028 0.000 1.196 438 Y CA -1.794 56.312 58.100 0.012 0.000 1.059 438 Y CB 0.683 39.145 38.460 0.003 0.000 1.315 438 Y HN -0.136 nan 8.280 nan 0.000 0.455 439 K N 1.171 121.778 120.400 0.346 0.000 2.589 439 K HA 0.481 4.801 4.320 -0.000 0.000 0.265 439 K C -2.694 174.051 176.600 0.242 0.000 0.935 439 K CA -0.730 55.710 56.287 0.255 0.000 0.850 439 K CB 1.997 34.579 32.500 0.137 0.000 1.372 439 K HN 1.066 nan 8.250 nan 0.000 0.420 440 H N 2.128 121.251 119.070 0.088 0.000 3.149 440 H HA 0.245 4.801 4.556 -0.000 0.000 0.334 440 H C -1.800 173.549 175.328 0.035 0.000 1.000 440 H CA -0.309 55.764 56.048 0.042 0.000 1.415 440 H CB 1.726 31.496 29.762 0.013 0.000 1.819 440 H HN 0.532 nan 8.280 nan 0.000 0.486 441 Q N 3.769 123.329 119.800 -0.400 0.000 2.563 441 Q HA 0.239 4.579 4.340 -0.000 0.000 0.232 441 Q C -0.783 174.890 176.000 -0.544 0.000 1.106 441 Q CA -0.727 54.868 55.803 -0.347 0.000 0.913 441 Q CB 0.511 29.164 28.738 -0.142 0.000 1.175 441 Q HN 0.598 nan 8.270 nan 0.000 0.540 442 E N 2.999 122.785 120.200 -0.689 0.000 2.376 442 E HA 0.092 4.442 4.350 -0.000 0.000 0.266 442 E C -0.587 175.920 176.600 -0.154 0.000 1.009 442 E CA -0.303 55.867 56.400 -0.383 0.000 0.902 442 E CB 0.407 30.036 29.700 -0.118 0.000 0.972 442 E HN 0.699 nan 8.360 nan 0.000 0.439 443 M N 5.000 124.553 119.600 -0.078 0.000 2.409 443 M HA 0.094 4.573 4.480 -0.000 0.000 0.376 443 M C 1.001 177.283 176.300 -0.031 0.000 1.631 443 M CA 1.703 56.978 55.300 -0.041 0.000 0.987 443 M CB -0.653 31.939 32.600 -0.013 0.000 2.090 443 M HN 0.700 nan 8.290 nan 0.000 0.474 444 G N 2.956 111.737 108.800 -0.032 0.000 2.179 444 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.257 444 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.257 444 G C -0.140 174.747 174.900 -0.022 0.000 1.010 444 G CA 0.356 45.442 45.100 -0.022 0.000 0.736 444 G HN 0.732 nan 8.290 nan 0.000 0.513 445 Q N -0.902 118.878 119.800 -0.034 0.000 2.458 445 Q HA 0.524 4.864 4.340 -0.000 0.000 0.282 445 Q C -2.682 173.299 176.000 -0.032 0.000 1.106 445 Q CA -1.926 53.861 55.803 -0.027 0.000 0.814 445 Q CB 1.288 30.012 28.738 -0.024 0.000 1.425 445 Q HN 0.131 nan 8.270 nan 0.000 0.437 446 P HA 0.011 nan 4.420 nan 0.000 0.267 446 P C -0.089 177.200 177.300 -0.020 0.000 1.205 446 P CA -0.062 63.029 63.100 -0.014 0.000 0.765 446 P CB 0.477 32.176 31.700 -0.002 0.000 0.828 447 N N 2.268 120.956 118.700 -0.021 0.000 2.415 447 N HA 0.060 4.800 4.740 -0.000 0.000 0.248 447 N C -1.168 174.352 175.510 0.016 0.000 1.271 447 N CA 0.191 53.228 53.050 -0.021 0.000 0.913 447 N CB 0.505 38.982 38.487 -0.016 0.000 1.129 447 N HN 0.024 nan 8.380 nan 0.000 0.444 448 V N 1.788 121.727 119.914 0.042 0.000 2.447 448 V HA 0.349 4.469 4.120 -0.000 0.000 0.292 448 V C -0.697 175.482 176.094 0.142 0.000 1.021 448 V CA -0.573 61.790 62.300 0.104 0.000 0.850 448 V CB 1.230 33.138 31.823 0.142 0.000 1.005 448 V HN 0.674 nan 8.190 nan 0.000 0.426 449 S N 2.619 118.379 115.700 0.101 0.000 2.546 449 S HA 0.867 5.337 4.470 -0.000 0.000 0.274 449 S C -0.355 174.222 174.600 -0.039 0.000 1.121 449 S CA -0.739 57.493 58.200 0.053 0.000 0.887 449 S CB 2.434 65.655 63.200 0.035 0.000 1.094 449 S HN 0.931 nan 8.310 nan 0.000 0.474 450 T N -0.849 113.585 114.554 -0.199 0.000 2.933 450 T HA 0.620 4.970 4.350 -0.000 0.000 0.305 450 T C -0.921 173.655 174.700 -0.206 0.000 1.092 450 T CA -1.034 60.910 62.100 -0.260 0.000 1.008 450 T CB 1.452 70.001 68.868 -0.530 0.000 1.102 450 T HN 0.678 nan 8.240 nan 0.000 0.469 451 E N 2.280 122.434 120.200 -0.077 0.000 2.319 451 E HA 0.397 4.747 4.350 -0.000 0.000 0.268 451 E C -0.226 176.331 176.600 -0.071 0.000 1.050 451 E CA -1.095 55.309 56.400 0.007 0.000 0.878 451 E CB 1.425 31.252 29.700 0.212 0.000 1.066 451 E HN 0.710 nan 8.360 nan 0.000 0.406 452 R N 1.641 122.054 120.500 -0.146 0.000 2.404 452 R HA 0.282 4.622 4.340 -0.000 0.000 0.291 452 R C -0.727 175.529 176.300 -0.073 0.000 1.025 452 R CA -0.665 55.361 56.100 -0.123 0.000 0.991 452 R CB 0.835 31.032 30.300 -0.173 0.000 1.053 452 R HN 0.490 nan 8.270 nan 0.000 0.479 453 R N 2.755 123.294 120.500 0.065 0.000 2.621 453 R HA 0.351 4.691 4.340 -0.000 0.000 0.292 453 R C -1.012 175.448 176.300 0.266 0.000 0.969 453 R CA -0.713 55.504 56.100 0.195 0.000 0.887 453 R CB 2.073 32.590 30.300 0.362 0.000 1.180 453 R HN 0.769 nan 8.270 nan 0.000 0.450 454 E N 1.614 121.864 120.200 0.083 0.000 2.288 454 E HA 0.408 4.758 4.350 -0.000 0.000 0.268 454 E C -0.957 175.402 176.600 -0.403 0.000 0.885 454 E CA -1.168 55.167 56.400 -0.108 0.000 0.767 454 E CB 2.663 32.175 29.700 -0.312 0.000 1.220 454 E HN 0.065 nan 8.360 nan 0.000 0.427 455 L N 2.564 123.347 121.223 -0.734 0.000 2.298 455 L HA 0.355 4.695 4.340 -0.000 0.000 0.284 455 L C -1.400 175.119 176.870 -0.585 0.000 1.013 455 L CA -0.662 53.587 54.840 -0.985 0.000 0.824 455 L CB 1.433 42.522 42.059 -1.615 0.000 1.221 455 L HN 0.327 nan 8.230 nan 0.000 0.418 456 V N 5.774 125.242 119.914 -0.744 0.000 2.427 456 V HA 0.504 4.624 4.120 -0.000 0.000 0.286 456 V C -0.315 175.426 176.094 -0.588 0.000 1.034 456 V CA -0.684 61.183 62.300 -0.722 0.000 0.893 456 V CB 1.806 32.903 31.823 -1.209 0.000 0.982 456 V HN 0.470 nan 8.190 nan 0.000 0.452 457 V N 5.870 125.670 119.914 -0.190 0.000 2.350 457 V HA 0.502 4.622 4.120 -0.000 0.000 0.285 457 V C 0.070 176.271 176.094 0.179 0.000 1.014 457 V CA -0.589 61.711 62.300 -0.001 0.000 0.831 457 V CB 1.375 33.259 31.823 0.103 0.000 1.000 457 V HN 0.879 nan 8.190 nan 0.000 0.433 458 R N 3.853 124.493 120.500 0.232 0.000 2.514 458 R HA 0.552 4.892 4.340 -0.000 0.000 0.301 458 R C -1.840 174.732 176.300 0.454 0.000 0.962 458 R CA -0.594 55.733 56.100 0.378 0.000 0.882 458 R CB 1.718 32.274 30.300 0.427 0.000 1.143 458 R HN 0.658 nan 8.270 nan 0.000 0.452 459 W N 6.688 128.165 121.300 0.295 0.000 2.883 459 W HA 0.536 5.196 4.660 -0.000 0.000 0.335 459 W C -1.860 174.838 176.519 0.298 0.000 1.083 459 W CA -0.838 56.659 57.345 0.253 0.000 1.233 459 W CB 1.100 30.697 29.460 0.228 0.000 1.412 459 W HN 0.419 nan 8.180 nan 0.000 0.490 460 I N 5.539 125.898 120.570 -0.353 0.000 2.465 460 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 460 I C -0.250 175.452 176.117 -0.691 0.000 1.014 460 I CA -0.902 60.136 61.300 -0.438 0.000 1.093 460 I CB 1.937 39.841 38.000 -0.161 0.000 1.267 460 I HN 0.364 nan 8.210 nan 0.000 0.431 461 S N 3.684 118.995 115.700 -0.649 0.000 2.521 461 S HA 0.653 5.123 4.470 -0.000 0.000 0.295 461 S C -0.739 173.771 174.600 -0.149 0.000 1.098 461 S CA -0.282 57.677 58.200 -0.401 0.000 0.999 461 S CB 1.687 64.575 63.200 -0.521 0.000 1.034 461 S HN 0.580 nan 8.310 nan 0.000 0.483 462 T N 3.611 118.117 114.554 -0.080 0.000 2.809 462 T HA 0.512 4.861 4.350 -0.000 0.000 0.284 462 T C -1.098 173.588 174.700 -0.025 0.000 0.992 462 T CA -0.452 61.595 62.100 -0.088 0.000 0.957 462 T CB 1.275 70.076 68.868 -0.112 0.000 0.942 462 T HN 0.450 nan 8.240 nan 0.000 0.439 463 V N 3.680 123.575 119.914 -0.032 0.000 2.325 463 V HA 0.677 4.797 4.120 -0.000 0.000 0.280 463 V C 1.063 177.090 176.094 -0.111 0.000 1.016 463 V CA 0.175 62.453 62.300 -0.037 0.000 0.818 463 V CB 0.210 32.011 31.823 -0.036 0.000 1.019 463 V HN 1.246 nan 8.190 nan 0.000 0.434 464 G N 5.607 114.407 108.800 0.001 0.000 2.557 464 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.292 464 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.292 464 G C 0.277 175.087 174.900 -0.150 0.000 1.162 464 G CA 0.440 45.592 45.100 0.086 0.000 0.964 464 G HN 0.898 nan 8.290 nan 0.000 0.541 468 Y N 1.122 121.305 120.300 -0.195 0.000 2.393 468 Y HA 0.669 5.219 4.550 -0.000 0.000 0.341 468 Y C 0.080 175.799 175.900 -0.301 0.000 0.988 468 Y CA -0.823 57.136 58.100 -0.235 0.000 1.078 468 Y CB 1.402 39.887 38.460 0.043 0.000 1.203 468 Y HN 0.244 nan 8.280 nan 0.000 0.453 469 I N 3.964 124.303 120.570 -0.385 0.000 2.433 469 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 469 I C -1.348 174.504 176.117 -0.441 0.000 1.001 469 I CA -0.725 60.395 61.300 -0.300 0.000 1.119 469 I CB 1.405 39.175 38.000 -0.382 0.000 1.289 469 I HN 0.349 nan 8.210 nan 0.000 0.438 470 F N 3.128 123.148 119.950 0.117 0.000 2.507 470 F HA 0.421 4.948 4.527 -0.000 0.000 0.328 470 F C -0.439 175.520 175.800 0.265 0.000 1.136 470 F CA -0.865 57.267 58.000 0.220 0.000 0.930 470 F CB 1.509 40.783 39.000 0.457 0.000 1.166 470 F HN 0.302 nan 8.300 nan 0.000 0.436 471 D N 2.308 122.841 120.400 0.223 0.000 2.308 471 D HA 0.250 4.890 4.640 -0.000 0.000 0.242 471 D C -1.294 174.897 176.300 -0.181 0.000 1.059 471 D CA -0.204 53.867 54.000 0.119 0.000 0.830 471 D CB 1.329 42.164 40.800 0.059 0.000 1.161 471 D HN 0.345 nan 8.370 nan 0.000 0.494 472 W N 2.729 123.961 121.300 -0.112 0.000 2.294 472 W HA 0.469 5.129 4.660 -0.000 0.000 0.314 472 W C -0.013 176.267 176.519 -0.398 0.000 1.044 472 W CA -0.587 56.575 57.345 -0.305 0.000 1.284 472 W CB 0.580 29.872 29.460 -0.281 0.000 1.231 472 W HN 0.129 nan 8.180 nan 0.000 0.419 473 I N 4.580 124.928 120.570 -0.370 0.000 2.330 473 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 473 I C -0.811 175.085 176.117 -0.368 0.000 1.001 473 I CA -0.881 60.237 61.300 -0.302 0.000 1.193 473 I CB 0.475 38.363 38.000 -0.187 0.000 1.345 473 I HN 0.089 nan 8.210 nan 0.000 0.461 474 F N 4.712 124.488 119.950 -0.290 0.000 2.385 474 F HA 0.388 4.915 4.527 -0.000 0.000 0.360 474 F C 0.798 176.709 175.800 0.184 0.000 1.122 474 F CA -0.396 57.421 58.000 -0.304 0.000 1.090 474 F CB 0.405 38.929 39.000 -0.793 0.000 1.150 474 F HN 0.399 nan 8.300 nan 0.000 0.472 475 H N 2.553 121.832 119.070 0.349 0.000 2.481 475 H HA 0.159 4.715 4.556 -0.000 0.000 0.339 475 H C 0.619 176.417 175.328 0.784 0.000 1.131 475 H CA -0.567 55.758 56.048 0.462 0.000 1.301 475 H CB 1.532 31.457 29.762 0.272 0.000 1.476 475 H HN 0.707 nan 8.280 nan 0.000 0.529 476 E N 1.189 121.798 120.200 0.681 0.000 2.153 476 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 476 E C 1.163 177.995 176.600 0.387 0.000 0.988 476 E CA 1.013 57.667 56.400 0.423 0.000 0.811 476 E CB -0.042 29.735 29.700 0.128 0.000 0.746 476 E HN 0.665 nan 8.360 nan 0.000 0.466 477 N N -0.578 118.326 118.700 0.340 0.000 2.501 477 N HA -0.024 4.716 4.740 -0.000 0.000 0.195 477 N C 1.138 176.723 175.510 0.125 0.000 1.213 477 N CA 0.495 53.636 53.050 0.152 0.000 0.864 477 N CB 0.648 39.197 38.487 0.103 0.000 0.999 477 N HN 0.164 nan 8.380 nan 0.000 0.454 478 G N -0.074 108.995 108.800 0.448 0.000 2.254 478 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.225 478 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.225 478 G C 0.240 175.528 174.900 0.646 0.000 1.003 478 G CA 0.209 45.593 45.100 0.475 0.000 0.622 478 G HN 0.418 nan 8.290 nan 0.000 0.507 479 T N 1.558 116.314 114.554 0.336 0.000 2.930 479 T HA 0.549 4.899 4.350 -0.000 0.000 0.306 479 T C 0.381 175.046 174.700 -0.059 0.000 1.045 479 T CA 0.545 62.658 62.100 0.022 0.000 1.134 479 T CB 1.255 69.879 68.868 -0.407 0.000 0.961 479 T HN 0.358 nan 8.240 nan 0.000 0.545 480 I N 1.800 122.281 120.570 -0.148 0.000 2.466 480 I HA 0.541 4.711 4.170 -0.000 0.000 0.289 480 I C 0.612 176.522 176.117 -0.344 0.000 1.026 480 I CA -0.770 60.332 61.300 -0.329 0.000 1.078 480 I CB 2.008 39.777 38.000 -0.384 0.000 1.249 480 I HN 0.699 nan 8.210 nan 0.000 0.429 481 G N 6.525 115.124 108.800 -0.335 0.000 2.453 481 G HA2 0.838 4.797 3.960 -0.000 0.000 0.323 481 G HA3 0.838 4.797 3.960 -0.000 0.000 0.323 481 G C -0.971 173.660 174.900 -0.449 0.000 1.198 481 G CA -0.484 44.445 45.100 -0.284 0.000 0.959 481 G HN 0.492 nan 8.290 nan 0.000 0.482 482 I N 1.700 121.964 120.570 -0.510 0.000 2.497 482 I HA 0.268 4.438 4.170 -0.000 0.000 0.284 482 I C -1.376 174.424 176.117 -0.528 0.000 1.060 482 I CA -0.788 60.023 61.300 -0.814 0.000 1.071 482 I CB 2.149 39.347 38.000 -1.337 0.000 1.216 482 I HN 0.236 nan 8.210 nan 0.000 0.442 483 D N 5.184 125.379 120.400 -0.340 0.000 2.252 483 D HA 0.722 5.362 4.640 -0.000 0.000 0.245 483 D C -0.555 175.680 176.300 -0.108 0.000 1.009 483 D CA -0.342 53.597 54.000 -0.101 0.000 0.870 483 D CB 2.666 43.529 40.800 0.106 0.000 1.251 483 D HN 0.548 nan 8.370 nan 0.000 0.460 484 A N 0.753 123.440 122.820 -0.223 0.000 2.343 484 A HA 0.726 5.046 4.320 -0.000 0.000 0.308 484 A C 0.046 177.201 177.584 -0.716 0.000 1.092 484 A CA -0.647 50.953 52.037 -0.729 0.000 0.751 484 A CB 1.480 19.743 19.000 -1.228 0.000 1.203 484 A HN 0.486 nan 8.150 nan 0.000 0.452 485 G N 0.360 108.509 108.800 -1.084 0.000 2.432 485 G HA2 0.759 4.719 3.960 -0.000 0.000 0.331 485 G HA3 0.759 4.719 3.960 -0.000 0.000 0.331 485 G C -0.523 173.864 174.900 -0.854 0.000 1.170 485 G CA -0.025 44.203 45.100 -1.454 0.000 0.943 485 G HN 1.621 nan 8.290 nan 0.000 0.483 486 A N 0.712 123.115 122.820 -0.695 0.000 2.374 486 A HA 0.887 5.207 4.320 -0.000 0.000 0.305 486 A C -0.202 177.092 177.584 -0.484 0.000 1.053 486 A CA -0.294 51.455 52.037 -0.479 0.000 0.726 486 A CB 2.104 20.893 19.000 -0.353 0.000 1.229 486 A HN 1.144 nan 8.150 nan 0.000 0.431 487 T N 0.439 114.712 114.554 -0.469 0.000 2.598 487 T HA 0.857 5.207 4.350 -0.000 0.000 0.289 487 T C 0.351 174.817 174.700 -0.389 0.000 1.056 487 T CA 0.969 62.848 62.100 -0.368 0.000 1.088 487 T CB 0.878 69.546 68.868 -0.334 0.000 1.519 487 T HN 2.753 nan 8.240 nan 0.000 0.488 488 G N 0.510 109.089 108.800 -0.368 0.000 2.416 488 G HA2 0.061 4.021 3.960 -0.000 0.000 0.203 488 G HA3 0.061 4.021 3.960 -0.000 0.000 0.203 488 G C -1.515 173.116 174.900 -0.450 0.000 1.227 488 G CA -0.259 44.571 45.100 -0.450 0.000 1.041 488 G HN 0.837 nan 8.290 nan 0.000 0.546 489 I N 1.570 121.806 120.570 -0.556 0.000 2.354 489 I HA 0.397 4.567 4.170 -0.000 0.000 0.292 489 I C 0.655 176.584 176.117 -0.314 0.000 0.989 489 I CA -0.705 60.286 61.300 -0.515 0.000 1.188 489 I CB 1.016 38.505 38.000 -0.851 0.000 1.342 489 I HN 0.615 nan 8.210 nan 0.000 0.457 490 E N 3.484 123.704 120.200 0.033 0.000 2.373 490 E HA 0.392 4.742 4.350 -0.000 0.000 0.267 490 E C -0.048 176.666 176.600 0.191 0.000 1.032 490 E CA -0.452 56.042 56.400 0.157 0.000 0.889 490 E CB 1.132 31.000 29.700 0.280 0.000 0.984 490 E HN 0.699 nan 8.360 nan 0.000 0.425 491 A N 3.006 125.936 122.820 0.184 0.000 2.396 491 A HA 0.313 4.633 4.320 -0.000 0.000 0.279 491 A C 0.122 177.977 177.584 0.451 0.000 1.165 491 A CA -0.543 51.681 52.037 0.312 0.000 0.824 491 A CB -0.263 18.879 19.000 0.237 0.000 1.100 491 A HN 0.396 nan 8.150 nan 0.000 0.516 492 V N 0.635 120.821 119.914 0.453 0.000 2.994 492 V HA 0.721 4.841 4.120 -0.000 0.000 0.318 492 V C -0.158 176.240 176.094 0.506 0.000 1.085 492 V CA -1.098 61.379 62.300 0.294 0.000 0.998 492 V CB 1.600 33.378 31.823 -0.076 0.000 1.063 492 V HN 0.850 nan 8.190 nan 0.000 0.447 493 K N 1.408 121.956 120.400 0.246 0.000 2.221 493 K HA 0.673 4.993 4.320 -0.000 0.000 0.258 493 K C 0.121 176.813 176.600 0.154 0.000 0.944 493 K CA -0.283 56.190 56.287 0.310 0.000 0.823 493 K CB 1.585 34.043 32.500 -0.070 0.000 1.113 493 K HN 1.196 nan 8.250 nan 0.000 0.431 494 G N 2.397 111.311 108.800 0.191 0.000 2.355 494 G HA2 0.439 4.399 3.960 -0.000 0.000 0.276 494 G HA3 0.439 4.399 3.960 -0.000 0.000 0.276 494 G C -0.575 174.374 174.900 0.082 0.000 1.198 494 G CA -0.407 44.768 45.100 0.125 0.000 0.876 494 G HN 0.481 nan 8.290 nan 0.000 0.478 495 V N 0.160 120.105 119.914 0.051 0.000 3.078 495 V HA 0.577 4.697 4.120 -0.000 0.000 0.311 495 V C 0.725 176.838 176.094 0.032 0.000 1.138 495 V CA -1.181 61.137 62.300 0.030 0.000 1.007 495 V CB 2.092 33.913 31.823 -0.003 0.000 1.045 495 V HN 0.664 nan 8.190 nan 0.000 0.432 496 K N 1.522 121.936 120.400 0.023 0.000 2.167 496 K HA 0.336 4.656 4.320 -0.000 0.000 0.203 496 K C 1.085 177.695 176.600 0.017 0.000 1.052 496 K CA 1.200 57.501 56.287 0.023 0.000 0.956 496 K CB -0.063 32.446 32.500 0.016 0.000 0.735 496 K HN 0.954 nan 8.250 nan 0.000 0.451 497 A N 1.847 124.672 122.820 0.008 0.000 2.462 497 A HA 0.021 4.341 4.320 -0.000 0.000 0.243 497 A C 0.519 178.117 177.584 0.022 0.000 1.076 497 A CA 0.185 52.225 52.037 0.005 0.000 0.773 497 A CB 0.351 19.344 19.000 -0.011 0.000 1.010 497 A HN 0.202 nan 8.150 nan 0.000 0.493 498 K N 0.071 120.482 120.400 0.017 0.000 2.335 498 K HA 0.105 4.425 4.320 -0.000 0.000 0.195 498 K C 0.592 177.257 176.600 0.108 0.000 1.058 498 K CA 1.204 57.511 56.287 0.034 0.000 0.988 498 K CB 0.407 32.834 32.500 -0.121 0.000 0.880 498 K HN 0.909 nan 8.250 nan 0.000 0.513 499 T N -3.038 111.539 114.554 0.039 0.000 2.778 499 T HA 0.287 4.637 4.350 -0.000 0.000 0.293 499 T C 0.446 175.101 174.700 -0.075 0.000 1.144 499 T CA -0.854 61.256 62.100 0.017 0.000 1.010 499 T CB 1.186 70.078 68.868 0.040 0.000 1.325 499 T HN -0.272 nan 8.240 nan 0.000 0.515 500 M N 0.902 120.372 119.600 -0.217 0.000 2.682 500 M HA 0.097 4.577 4.480 -0.000 0.000 0.235 500 M C 0.834 176.968 176.300 -0.277 0.000 1.114 500 M CA 0.595 55.744 55.300 -0.252 0.000 1.053 500 M CB -1.308 31.124 32.600 -0.280 0.000 1.599 500 M HN 0.610 nan 8.290 nan 0.000 0.520 501 H N -0.681 118.388 119.070 -0.000 0.000 2.551 501 H HA 0.249 4.805 4.556 -0.000 0.000 0.271 501 H C -0.087 175.236 175.328 -0.009 0.000 0.984 501 H CA -0.106 55.939 56.048 -0.005 0.000 1.164 501 H CB 0.471 30.232 29.762 -0.002 0.000 1.437 501 H HN 0.254 nan 8.280 nan 0.000 0.550 502 D N 0.777 121.215 120.400 0.064 0.000 2.312 502 D HA 0.036 4.676 4.640 -0.000 0.000 0.248 502 D C 1.224 177.533 176.300 0.016 0.000 1.086 502 D CA -0.254 53.768 54.000 0.035 0.000 0.948 502 D CB 1.632 42.442 40.800 0.016 0.000 1.162 502 D HN 0.202 nan 8.370 nan 0.000 0.446 503 E N -0.015 120.192 120.200 0.011 0.000 2.065 503 E HA -0.205 4.145 4.350 -0.000 0.000 0.201 503 E C 1.626 178.220 176.600 -0.009 0.000 1.016 503 E CA 1.802 58.203 56.400 0.002 0.000 0.818 503 E CB -0.105 29.595 29.700 0.001 0.000 0.749 503 E HN 0.561 nan 8.360 nan 0.000 0.453 504 T N -1.459 113.089 114.554 -0.011 0.000 3.148 504 T HA 0.277 4.627 4.350 -0.000 0.000 0.253 504 T C 1.826 176.505 174.700 -0.035 0.000 1.134 504 T CA 0.465 62.553 62.100 -0.021 0.000 1.051 504 T CB 0.146 69.006 68.868 -0.013 0.000 0.959 504 T HN 0.194 nan 8.240 nan 0.000 0.525 505 A N 2.619 125.419 122.820 -0.034 0.000 1.903 505 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 505 A C 2.370 179.910 177.584 -0.073 0.000 1.191 505 A CA 2.188 54.194 52.037 -0.052 0.000 0.638 505 A CB -0.833 18.135 19.000 -0.053 0.000 0.823 505 A HN 0.599 nan 8.150 nan 0.000 0.451 506 K N -0.920 119.438 120.400 -0.070 0.000 2.026 506 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 506 K C 1.432 177.960 176.600 -0.120 0.000 1.048 506 K CA 1.679 57.912 56.287 -0.090 0.000 0.929 506 K CB -0.243 32.213 32.500 -0.073 0.000 0.713 506 K HN 0.465 nan 8.250 nan 0.000 0.439 507 D N 0.994 121.333 120.400 -0.102 0.000 2.144 507 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 507 D C 1.437 177.655 176.300 -0.136 0.000 0.978 507 D CA 0.987 54.915 54.000 -0.121 0.000 0.833 507 D CB -0.150 40.608 40.800 -0.070 0.000 0.961 507 D HN 0.273 nan 8.370 nan 0.000 0.470 508 D N -0.018 120.323 120.400 -0.099 0.000 2.178 508 D HA -0.093 4.547 4.640 -0.000 0.000 0.202 508 D C 1.759 177.982 176.300 -0.129 0.000 0.974 508 D CA 1.116 55.063 54.000 -0.089 0.000 0.841 508 D CB -0.207 40.557 40.800 -0.061 0.000 0.953 508 D HN 0.293 nan 8.370 nan 0.000 0.478 509 T N -2.435 112.028 114.554 -0.152 0.000 3.214 509 T HA 0.200 4.550 4.350 -0.000 0.000 0.264 509 T C 1.383 175.941 174.700 -0.236 0.000 1.012 509 T CA -0.505 61.494 62.100 -0.168 0.000 0.901 509 T CB 0.505 69.293 68.868 -0.134 0.000 1.070 509 T HN -0.034 nan 8.240 nan 0.000 0.561 510 R N 0.165 120.443 120.500 -0.370 0.000 2.115 510 R HA -0.006 4.334 4.340 -0.000 0.000 0.230 510 R C 0.302 176.206 176.300 -0.660 0.000 1.111 510 R CA 1.162 56.907 56.100 -0.592 0.000 0.976 510 R CB -0.001 29.754 30.300 -0.909 0.000 0.870 510 R HN 0.536 nan 8.270 nan 0.000 0.445 511 Y N -1.324 118.895 120.300 -0.135 0.000 2.660 511 Y HA 0.496 5.046 4.550 -0.000 0.000 0.254 511 Y C 0.381 176.170 175.900 -0.185 0.000 1.176 511 Y CA -0.058 57.949 58.100 -0.156 0.000 1.195 511 Y CB 1.511 39.867 38.460 -0.173 0.000 1.190 511 Y HN 0.126 nan 8.280 nan 0.000 0.535 512 G N -0.938 107.804 108.800 -0.096 0.000 2.387 512 G HA2 0.332 4.292 3.960 -0.000 0.000 0.294 512 G HA3 0.332 4.292 3.960 -0.000 0.000 0.294 512 G C -1.166 173.655 174.900 -0.132 0.000 1.509 512 G CA -0.947 44.080 45.100 -0.123 0.000 0.806 512 G HN -0.184 nan 8.290 nan 0.000 0.546 513 T N 0.609 115.088 114.554 -0.125 0.000 2.913 513 T HA 0.372 4.722 4.350 -0.000 0.000 0.297 513 T C 0.252 174.877 174.700 -0.125 0.000 1.029 513 T CA -0.067 61.967 62.100 -0.110 0.000 1.104 513 T CB 1.391 70.208 68.868 -0.085 0.000 0.964 513 T HN 0.617 nan 8.240 nan 0.000 0.532 514 L N 5.336 126.492 121.223 -0.111 0.000 2.334 514 L HA 0.340 4.680 4.340 -0.000 0.000 0.286 514 L C 0.956 177.756 176.870 -0.118 0.000 1.108 514 L CA 0.004 54.775 54.840 -0.115 0.000 0.875 514 L CB -0.529 41.479 42.059 -0.085 0.000 1.246 514 L HN 0.715 nan 8.230 nan 0.000 0.439 515 I N -0.245 120.217 120.570 -0.180 0.000 3.728 515 I HA 0.390 4.560 4.170 -0.000 0.000 0.307 515 I C -0.066 175.934 176.117 -0.195 0.000 1.276 515 I CA 0.120 61.318 61.300 -0.169 0.000 1.285 515 I CB 0.092 37.978 38.000 -0.190 0.000 1.038 515 I HN 0.509 nan 8.210 nan 0.000 0.445 516 D N -0.385 119.871 120.400 -0.241 0.000 2.671 516 D HA 0.276 4.916 4.640 -0.000 0.000 0.273 516 D C -0.977 175.266 176.300 -0.094 0.000 1.264 516 D CA -0.568 53.315 54.000 -0.195 0.000 0.788 516 D CB 1.070 41.759 40.800 -0.185 0.000 1.324 516 D HN 0.175 nan 8.370 nan 0.000 0.424 517 H N 1.423 120.509 119.070 0.026 0.000 3.107 517 H HA 0.179 4.735 4.556 -0.000 0.000 0.301 517 H C 0.250 175.592 175.328 0.024 0.000 0.981 517 H CA 0.690 56.756 56.048 0.029 0.000 1.443 517 H CB -0.141 29.658 29.762 0.062 0.000 1.479 517 H HN 0.390 nan 8.280 nan 0.000 0.564 518 N N 1.178 119.953 118.700 0.125 0.000 2.800 518 N HA -0.189 4.551 4.740 -0.000 0.000 0.250 518 N C -1.145 174.380 175.510 0.026 0.000 1.078 518 N CA 0.850 53.944 53.050 0.072 0.000 0.804 518 N CB -0.946 37.603 38.487 0.103 0.000 1.135 518 N HN 0.481 nan 8.380 nan 0.000 0.565 519 I N 0.379 120.919 120.570 -0.050 0.000 2.478 519 I HA 0.413 4.583 4.170 -0.000 0.000 0.287 519 I C -0.541 175.435 176.117 -0.235 0.000 1.042 519 I CA -0.984 60.216 61.300 -0.168 0.000 1.067 519 I CB 1.979 39.774 38.000 -0.342 0.000 1.233 519 I HN -0.248 nan 8.210 nan 0.000 0.431 520 V N 4.711 124.508 119.914 -0.195 0.000 2.448 520 V HA 0.466 4.586 4.120 -0.000 0.000 0.295 520 V C 0.569 176.535 176.094 -0.214 0.000 1.025 520 V CA -0.561 61.619 62.300 -0.200 0.000 0.859 520 V CB 1.858 33.582 31.823 -0.165 0.000 0.988 520 V HN 0.885 nan 8.190 nan 0.000 0.431 521 G N 2.871 111.544 108.800 -0.211 0.000 2.519 521 G HA2 0.310 4.270 3.960 -0.000 0.000 0.306 521 G HA3 0.310 4.270 3.960 -0.000 0.000 0.306 521 G C 0.305 175.129 174.900 -0.127 0.000 0.965 521 G CA -0.104 44.908 45.100 -0.145 0.000 1.291 521 G HN 0.639 nan 8.290 nan 0.000 0.450 522 T N 2.675 117.142 114.554 -0.146 0.000 2.871 522 T HA 0.095 4.445 4.350 -0.000 0.000 0.296 522 T C 1.172 175.901 174.700 0.049 0.000 0.998 522 T CA 0.401 62.398 62.100 -0.172 0.000 1.162 522 T CB 0.406 68.959 68.868 -0.524 0.000 0.947 522 T HN 0.445 nan 8.240 nan 0.000 0.536 523 T N 5.539 120.065 114.554 -0.047 0.000 2.937 523 T HA 0.212 4.562 4.350 -0.000 0.000 0.316 523 T C 0.312 174.942 174.700 -0.117 0.000 1.079 523 T CA -0.065 61.964 62.100 -0.119 0.000 1.131 523 T CB -0.004 68.784 68.868 -0.133 0.000 1.000 523 T HN 0.865 nan 8.240 nan 0.000 0.549 524 H N -0.097 118.741 119.070 -0.387 0.000 2.883 524 H HA 0.453 5.009 4.556 -0.000 0.000 0.277 524 H C -1.456 173.637 175.328 -0.391 0.000 1.451 524 H CA -1.098 54.614 56.048 -0.559 0.000 1.157 524 H CB 0.972 29.982 29.762 -1.254 0.000 1.851 524 H HN 0.548 nan 8.280 nan 0.000 0.566 525 Q N 0.108 119.697 119.800 -0.353 0.000 2.433 525 Q HA 0.384 4.724 4.340 -0.000 0.000 0.279 525 Q C -1.052 174.769 176.000 -0.299 0.000 1.105 525 Q CA -1.001 54.634 55.803 -0.279 0.000 0.815 525 Q CB 2.833 31.488 28.738 -0.138 0.000 1.403 525 Q HN 0.500 nan 8.270 nan 0.000 0.435 526 H N 1.385 120.411 119.070 -0.072 0.000 2.762 526 H HA 0.448 5.004 4.556 -0.000 0.000 0.310 526 H C -0.900 174.183 175.328 -0.409 0.000 1.004 526 H CA -0.257 55.672 56.048 -0.199 0.000 1.267 526 H CB 0.732 30.435 29.762 -0.098 0.000 1.437 526 H HN 0.458 nan 8.280 nan 0.000 0.498 527 I N 4.718 125.090 120.570 -0.331 0.000 2.382 527 I HA 0.188 4.358 4.170 -0.000 0.000 0.285 527 I C -0.775 175.186 176.117 -0.259 0.000 1.007 527 I CA -0.733 60.424 61.300 -0.238 0.000 1.142 527 I CB 0.822 38.765 38.000 -0.095 0.000 1.289 527 I HN 0.319 nan 8.210 nan 0.000 0.453 528 Y N 4.315 124.689 120.300 0.123 0.000 2.420 528 Y HA 0.459 5.009 4.550 -0.000 0.000 0.334 528 Y C 0.116 175.991 175.900 -0.042 0.000 1.094 528 Y CA -0.937 57.160 58.100 -0.005 0.000 1.126 528 Y CB 1.325 39.750 38.460 -0.059 0.000 1.217 528 Y HN 0.503 nan 8.280 nan 0.000 0.462 529 N N 1.255 119.909 118.700 -0.076 0.000 2.295 529 N HA 0.544 5.284 4.740 -0.000 0.000 0.293 529 N C -2.167 173.162 175.510 -0.302 0.000 1.040 529 N CA -0.467 52.563 53.050 -0.034 0.000 0.840 529 N CB 0.919 39.420 38.487 0.024 0.000 1.468 529 N HN 0.357 nan 8.380 nan 0.000 0.478 530 F N 1.423 121.518 119.950 0.241 0.000 2.467 530 F HA 0.462 4.989 4.527 -0.000 0.000 0.336 530 F C 0.626 176.461 175.800 0.058 0.000 1.123 530 F CA -0.807 57.288 58.000 0.159 0.000 0.964 530 F CB 1.548 40.603 39.000 0.092 0.000 1.136 530 F HN 0.292 nan 8.300 nan 0.000 0.447 531 R N 4.641 125.179 120.500 0.063 0.000 2.202 531 R HA 0.608 4.948 4.340 -0.000 0.000 0.334 531 R C -1.640 174.507 176.300 -0.255 0.000 1.036 531 R CA -0.317 55.504 56.100 -0.466 0.000 0.878 531 R CB 0.343 30.209 30.300 -0.725 0.000 1.067 531 R HN 0.796 nan 8.270 nan 0.000 0.457 532 L N 4.677 125.723 121.223 -0.295 0.000 2.417 532 L HA 0.241 4.581 4.340 -0.000 0.000 0.259 532 L C -0.606 176.175 176.870 -0.148 0.000 1.023 532 L CA -0.810 53.953 54.840 -0.129 0.000 0.901 532 L CB 1.584 43.624 42.059 -0.033 0.000 1.227 532 L HN 0.576 nan 8.230 nan 0.000 0.454 533 D N 4.090 124.417 120.400 -0.122 0.000 2.545 533 D HA 0.195 4.835 4.640 -0.000 0.000 0.227 533 D C -0.093 176.225 176.300 0.030 0.000 1.150 533 D CA 0.063 54.041 54.000 -0.036 0.000 1.046 533 D CB 0.203 41.020 40.800 0.027 0.000 1.098 533 D HN 0.311 nan 8.370 nan 0.000 0.502 534 L N 2.316 123.546 121.223 0.012 0.000 2.380 534 L HA 0.263 4.603 4.340 -0.000 0.000 0.273 534 L C 0.102 177.012 176.870 0.067 0.000 1.138 534 L CA -0.138 54.714 54.840 0.020 0.000 0.832 534 L CB 0.812 42.852 42.059 -0.032 0.000 1.124 534 L HN 0.153 nan 8.230 nan 0.000 0.454 535 D N 2.469 122.934 120.400 0.108 0.000 2.404 535 D HA 0.166 4.806 4.640 -0.000 0.000 0.267 535 D C -0.439 175.905 176.300 0.073 0.000 1.194 535 D CA -0.252 53.812 54.000 0.107 0.000 0.910 535 D CB 1.617 42.532 40.800 0.192 0.000 1.090 535 D HN 0.024 nan 8.370 nan 0.000 0.511 536 V N 2.648 122.609 119.914 0.079 0.000 2.416 536 V HA -0.031 4.089 4.120 -0.000 0.000 0.260 536 V C 1.024 177.250 176.094 0.220 0.000 1.018 536 V CA 0.242 62.643 62.300 0.168 0.000 1.120 536 V CB -0.146 31.809 31.823 0.221 0.000 1.081 536 V HN 0.575 nan 8.190 nan 0.000 0.474 537 D N 3.417 123.975 120.400 0.265 0.000 2.911 537 D HA -0.140 4.500 4.640 -0.000 0.000 0.227 537 D C 0.326 176.610 176.300 -0.027 0.000 1.164 537 D CA 1.747 55.823 54.000 0.127 0.000 0.782 537 D CB -0.978 39.840 40.800 0.029 0.000 1.094 537 D HN 1.189 nan 8.370 nan 0.000 0.425 538 G N -1.143 107.621 108.800 -0.060 0.000 2.350 538 G HA2 0.181 4.141 3.960 -0.000 0.000 0.304 538 G HA3 0.181 4.141 3.960 -0.000 0.000 0.304 538 G C 0.119 174.978 174.900 -0.068 0.000 1.421 538 G CA 0.325 45.359 45.100 -0.110 0.000 0.934 538 G HN 0.111 nan 8.290 nan 0.000 0.632 539 E N -0.305 119.850 120.200 -0.075 0.000 2.046 539 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 539 E C 0.357 176.958 176.600 0.002 0.000 0.982 539 E CA 0.650 57.032 56.400 -0.030 0.000 0.800 539 E CB -0.087 29.591 29.700 -0.037 0.000 0.756 539 E HN 0.373 nan 8.360 nan 0.000 0.449 540 N N 2.313 121.014 118.700 0.001 0.000 2.401 540 N HA 0.112 4.852 4.740 -0.000 0.000 0.255 540 N C -0.844 174.681 175.510 0.026 0.000 1.110 540 N CA 0.106 53.167 53.050 0.017 0.000 0.949 540 N CB 0.799 39.293 38.487 0.012 0.000 1.110 540 N HN 0.194 nan 8.380 nan 0.000 0.490 541 N N 0.125 118.848 118.700 0.038 0.000 2.761 541 N HA 0.472 5.212 4.740 -0.000 0.000 0.283 541 N C -0.797 174.740 175.510 0.045 0.000 1.377 541 N CA -0.446 52.632 53.050 0.046 0.000 0.791 541 N CB 1.515 40.036 38.487 0.058 0.000 1.540 541 N HN 0.216 nan 8.380 nan 0.000 0.539 542 S N 0.158 115.884 115.700 0.043 0.000 2.564 542 S HA 0.452 4.922 4.470 -0.000 0.000 0.274 542 S C -1.331 173.286 174.600 0.028 0.000 1.124 542 S CA -0.566 57.656 58.200 0.037 0.000 0.869 542 S CB 1.992 65.209 63.200 0.029 0.000 1.105 542 S HN 0.419 nan 8.310 nan 0.000 0.472 543 L N 3.132 124.370 121.223 0.024 0.000 2.255 543 L HA 0.629 4.969 4.340 -0.000 0.000 0.289 543 L C -1.206 175.639 176.870 -0.042 0.000 1.046 543 L CA -0.165 54.678 54.840 0.005 0.000 0.816 543 L CB 0.505 42.581 42.059 0.029 0.000 1.197 543 L HN 0.456 nan 8.230 nan 0.000 0.427 544 V N 4.952 124.815 119.914 -0.085 0.000 2.459 544 V HA 0.804 4.924 4.120 -0.000 0.000 0.295 544 V C 0.300 176.239 176.094 -0.258 0.000 1.029 544 V CA -0.532 61.671 62.300 -0.162 0.000 0.874 544 V CB 1.345 33.087 31.823 -0.135 0.000 0.985 544 V HN 0.913 nan 8.190 nan 0.000 0.438 545 A N 6.146 128.699 122.820 -0.445 0.000 2.305 545 A HA 0.910 5.230 4.320 -0.000 0.000 0.322 545 A C -0.446 176.836 177.584 -0.503 0.000 1.187 545 A CA -0.564 51.145 52.037 -0.547 0.000 0.825 545 A CB 0.845 19.300 19.000 -0.908 0.000 1.164 545 A HN 0.831 nan 8.150 nan 0.000 0.498 546 M N 3.014 122.429 119.600 -0.308 0.000 2.035 546 M HA 0.240 4.720 4.480 -0.000 0.000 0.286 546 M C -1.581 174.661 176.300 -0.097 0.000 0.907 546 M CA -0.427 54.761 55.300 -0.186 0.000 0.935 546 M CB 1.619 34.094 32.600 -0.208 0.000 1.557 546 M HN 0.575 nan 8.290 nan 0.000 0.426 547 D N 5.032 125.425 120.400 -0.011 0.000 2.373 547 D HA 0.354 4.994 4.640 -0.000 0.000 0.227 547 D C -2.488 173.832 176.300 0.032 0.000 1.091 547 D CA -1.353 52.662 54.000 0.025 0.000 0.840 547 D CB 1.337 42.193 40.800 0.092 0.000 1.060 547 D HN 0.138 nan 8.370 nan 0.000 0.502 548 P HA 0.014 nan 4.420 nan 0.000 0.267 548 P C -0.430 176.885 177.300 0.025 0.000 1.209 548 P CA -0.193 62.924 63.100 0.028 0.000 0.763 548 P CB 0.791 32.507 31.700 0.027 0.000 0.816 549 V N 1.514 121.445 119.914 0.029 0.000 3.007 549 V HA 0.546 4.665 4.120 -0.000 0.000 0.311 549 V C -0.531 175.575 176.094 0.020 0.000 1.120 549 V CA -1.111 61.202 62.300 0.022 0.000 0.980 549 V CB 2.257 34.095 31.823 0.025 0.000 1.033 549 V HN 0.066 nan 8.190 nan 0.000 0.429 550 V N 3.174 123.096 119.914 0.014 0.000 2.385 550 V HA 0.477 4.597 4.120 -0.000 0.000 0.269 550 V C 0.294 176.394 176.094 0.011 0.000 1.043 550 V CA -0.235 62.072 62.300 0.012 0.000 0.906 550 V CB 0.591 32.420 31.823 0.009 0.000 0.995 550 V HN 0.962 nan 8.190 nan 0.000 0.467 551 K N 5.334 125.741 120.400 0.012 0.000 2.281 551 K HA 0.566 4.886 4.320 -0.000 0.000 0.242 551 K C -2.765 173.840 176.600 0.008 0.000 0.971 551 K CA -2.041 54.252 56.287 0.010 0.000 0.834 551 K CB 2.040 34.547 32.500 0.012 0.000 1.181 551 K HN 0.305 nan 8.250 nan 0.000 0.435 552 P HA -0.040 nan 4.420 nan 0.000 0.269 552 P C -0.997 176.307 177.300 0.006 0.000 1.209 552 P CA -0.158 62.945 63.100 0.005 0.000 0.776 552 P CB 0.388 32.090 31.700 0.004 0.000 0.876 553 N N 1.250 119.953 118.700 0.006 0.000 2.497 553 N HA 0.100 4.840 4.740 -0.000 0.000 0.271 553 N C 0.243 175.756 175.510 0.005 0.000 1.142 553 N CA -0.057 52.996 53.050 0.006 0.000 0.965 553 N CB 0.385 38.876 38.487 0.005 0.000 1.077 553 N HN 0.392 nan 8.380 nan 0.000 0.462 554 T N -0.112 114.446 114.554 0.006 0.000 3.170 554 T HA 0.319 4.669 4.350 -0.000 0.000 0.288 554 T C 0.757 175.460 174.700 0.005 0.000 0.992 554 T CA -0.277 61.826 62.100 0.005 0.000 0.909 554 T CB 0.473 69.344 68.868 0.005 0.000 1.133 554 T HN 0.422 nan 8.240 nan 0.000 0.530 555 A N 0.762 123.585 122.820 0.005 0.000 2.348 555 A HA 0.779 5.099 4.320 -0.000 0.000 0.224 555 A C 1.425 179.011 177.584 0.003 0.000 1.227 555 A CA 0.258 52.298 52.037 0.004 0.000 0.885 555 A CB -0.471 18.532 19.000 0.005 0.000 0.933 555 A HN 1.482 nan 8.150 nan 0.000 0.506 556 G N -1.948 106.854 108.800 0.003 0.000 2.685 556 G HA2 0.480 4.440 3.960 -0.000 0.000 0.387 556 G HA3 0.480 4.440 3.960 -0.000 0.000 0.387 556 G C 0.724 175.626 174.900 0.003 0.000 1.324 556 G CA -0.101 45.001 45.100 0.003 0.000 0.878 556 G HN 2.483 nan 8.290 nan 0.000 0.527 557 G N -1.612 107.190 108.800 0.002 0.000 2.756 557 G HA2 0.280 4.240 3.960 -0.000 0.000 0.678 557 G HA3 0.280 4.240 3.960 -0.000 0.000 0.678 557 G C -0.856 174.046 174.900 0.003 0.000 1.349 557 G CA 0.476 45.577 45.100 0.002 0.000 0.847 557 G HN 1.331 nan 8.290 nan 0.000 0.548 558 P HA 0.005 nan 4.420 nan 0.000 0.218 558 P C 1.014 178.315 177.300 0.003 0.000 1.148 558 P CA 0.651 63.752 63.100 0.003 0.000 0.822 558 P CB 0.093 31.795 31.700 0.003 0.000 0.784 559 R N 0.057 120.559 120.500 0.004 0.000 2.570 559 R HA 0.063 4.403 4.340 -0.000 0.000 0.277 559 R C 1.422 177.724 176.300 0.004 0.000 1.039 559 R CA 0.872 56.975 56.100 0.004 0.000 1.065 559 R CB -0.236 30.067 30.300 0.005 0.000 0.964 559 R HN 0.226 nan 8.270 nan 0.000 0.428 560 T N -2.535 112.021 114.554 0.004 0.000 3.037 560 T HA 0.046 4.395 4.350 -0.000 0.000 0.252 560 T C 0.822 175.525 174.700 0.005 0.000 1.073 560 T CA 0.280 62.383 62.100 0.004 0.000 1.091 560 T CB 0.219 69.089 68.868 0.003 0.000 0.935 560 T HN 0.535 nan 8.240 nan 0.000 0.488 561 S N 0.760 116.464 115.700 0.006 0.000 2.651 561 S HA 0.752 5.222 4.470 -0.000 0.000 0.279 561 S C -0.582 174.022 174.600 0.008 0.000 1.148 561 S CA -0.405 57.799 58.200 0.007 0.000 0.837 561 S CB 1.985 65.189 63.200 0.007 0.000 1.138 561 S HN 0.693 nan 8.310 nan 0.000 0.478 562 T N -1.764 112.796 114.554 0.010 0.000 2.865 562 T HA 0.682 5.032 4.350 -0.000 0.000 0.294 562 T C -0.852 173.857 174.700 0.015 0.000 1.119 562 T CA -0.991 61.116 62.100 0.012 0.000 1.007 562 T CB 1.256 70.132 68.868 0.012 0.000 1.225 562 T HN 0.669 nan 8.240 nan 0.000 0.515 563 M N 2.065 121.675 119.600 0.017 0.000 2.066 563 M HA 0.416 4.896 4.480 -0.000 0.000 0.340 563 M C -0.360 175.956 176.300 0.027 0.000 1.053 563 M CA -0.465 54.849 55.300 0.022 0.000 0.983 563 M CB 1.385 33.999 32.600 0.023 0.000 1.520 563 M HN 0.609 nan 8.290 nan 0.000 0.428 564 Q N 1.466 121.283 119.800 0.029 0.000 2.552 564 Q HA 0.785 5.125 4.340 -0.000 0.000 0.289 564 Q C -1.168 174.857 176.000 0.042 0.000 1.097 564 Q CA -1.112 54.712 55.803 0.035 0.000 0.812 564 Q CB 3.333 32.089 28.738 0.031 0.000 1.460 564 Q HN 0.459 nan 8.270 nan 0.000 0.452 565 V N 1.418 121.361 119.914 0.049 0.000 2.555 565 V HA 0.300 4.420 4.120 -0.000 0.000 0.302 565 V C -0.538 175.593 176.094 0.062 0.000 1.038 565 V CA -0.874 61.458 62.300 0.053 0.000 0.887 565 V CB 1.746 33.604 31.823 0.059 0.000 0.991 565 V HN 0.642 nan 8.190 nan 0.000 0.434 566 N N 4.029 122.776 118.700 0.078 0.000 2.527 566 N HA 0.239 4.979 4.740 -0.000 0.000 0.236 566 N C -0.615 175.001 175.510 0.177 0.000 0.999 566 N CA -0.084 53.045 53.050 0.131 0.000 0.935 566 N CB 1.412 39.988 38.487 0.149 0.000 1.132 566 N HN 0.831 nan 8.380 nan 0.000 0.511 567 Q N 3.539 123.429 119.800 0.151 0.000 2.274 567 Q HA 0.407 4.746 4.340 -0.000 0.000 0.260 567 Q C -1.590 174.539 176.000 0.214 0.000 0.974 567 Q CA -0.680 55.169 55.803 0.077 0.000 0.876 567 Q CB 1.113 29.862 28.738 0.017 0.000 1.297 567 Q HN 0.570 nan 8.270 nan 0.000 0.446 568 Y N -0.393 119.903 120.300 -0.007 0.000 2.583 568 Y HA 0.428 4.978 4.550 -0.000 0.000 0.330 568 Y C -1.752 174.147 175.900 -0.001 0.000 1.185 568 Y CA -1.453 56.646 58.100 -0.002 0.000 1.107 568 Y CB 0.368 38.827 38.460 -0.001 0.000 1.344 568 Y HN 0.564 nan 8.280 nan 0.000 0.463 569 N N 1.815 120.577 118.700 0.103 0.000 2.530 569 N HA 0.530 5.270 4.740 -0.000 0.000 0.277 569 N C -1.055 174.523 175.510 0.113 0.000 1.168 569 N CA -0.363 52.712 53.050 0.041 0.000 0.979 569 N CB 1.044 39.561 38.487 0.050 0.000 1.141 569 N HN 0.693 nan 8.380 nan 0.000 0.459 570 I N 0.987 121.592 120.570 0.057 0.000 2.371 570 I HA 0.245 4.415 4.170 -0.000 0.000 0.282 570 I C 1.243 177.403 176.117 0.070 0.000 1.031 570 I CA -0.398 60.957 61.300 0.090 0.000 1.180 570 I CB 1.224 39.261 38.000 0.061 0.000 1.336 570 I HN 0.718 nan 8.210 nan 0.000 0.467 571 G N 5.709 114.554 108.800 0.075 0.000 2.650 571 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.214 571 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.214 571 G C 0.381 175.317 174.900 0.061 0.000 1.136 571 G CA 0.014 45.152 45.100 0.063 0.000 0.789 571 G HN 0.746 nan 8.290 nan 0.000 0.536 572 N N -1.941 116.798 118.700 0.064 0.000 2.732 572 N HA 0.222 4.962 4.740 -0.000 0.000 0.259 572 N C 0.141 175.696 175.510 0.074 0.000 1.402 572 N CA -0.683 52.407 53.050 0.067 0.000 0.829 572 N CB 1.161 39.684 38.487 0.060 0.000 1.495 572 N HN -0.077 nan 8.380 nan 0.000 0.511 573 E N 0.024 120.275 120.200 0.086 0.000 2.085 573 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 573 E C 1.306 177.958 176.600 0.086 0.000 0.994 573 E CA 1.537 58.002 56.400 0.108 0.000 0.801 573 E CB -0.035 29.742 29.700 0.129 0.000 0.743 573 E HN 0.504 nan 8.360 nan 0.000 0.453 574 Q N 0.833 120.672 119.800 0.066 0.000 2.084 574 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 574 Q C 1.762 177.762 176.000 0.000 0.000 0.978 574 Q CA 1.187 57.011 55.803 0.035 0.000 0.844 574 Q CB -0.271 28.489 28.738 0.036 0.000 0.898 574 Q HN 0.367 nan 8.270 nan 0.000 0.426 575 D N 0.444 120.857 120.400 0.021 0.000 2.178 575 D HA -0.062 4.578 4.640 -0.000 0.000 0.202 575 D C 1.687 177.991 176.300 0.008 0.000 0.974 575 D CA 1.128 55.140 54.000 0.019 0.000 0.841 575 D CB 0.005 40.835 40.800 0.049 0.000 0.953 575 D HN 0.221 nan 8.370 nan 0.000 0.478 576 A N 1.037 123.869 122.820 0.020 0.000 2.015 576 A HA 0.112 4.432 4.320 -0.000 0.000 0.219 576 A C 1.512 179.055 177.584 -0.069 0.000 1.163 576 A CA 0.940 52.991 52.037 0.024 0.000 0.646 576 A CB -0.289 18.763 19.000 0.086 0.000 0.806 576 A HN 0.186 nan 8.150 nan 0.000 0.448 577 A N 0.821 123.531 122.820 -0.183 0.000 2.457 577 A HA 0.498 4.818 4.320 -0.000 0.000 0.298 577 A C 0.161 177.476 177.584 -0.447 0.000 1.288 577 A CA -0.044 51.644 52.037 -0.581 0.000 0.956 577 A CB -0.551 17.994 19.000 -0.759 0.000 1.135 577 A HN 0.695 nan 8.150 nan 0.000 0.535 578 Q N 1.768 121.338 119.800 -0.383 0.000 2.590 578 Q HA 0.532 4.872 4.340 -0.000 0.000 0.295 578 Q C -1.190 174.755 176.000 -0.092 0.000 0.973 578 Q CA -1.359 54.335 55.803 -0.182 0.000 0.768 578 Q CB 1.003 29.706 28.738 -0.059 0.000 1.479 578 Q HN 0.311 nan 8.270 nan 0.000 0.419 579 K N 0.712 121.099 120.400 -0.022 0.000 2.258 579 K HA 0.315 4.635 4.320 -0.000 0.000 0.264 579 K C -1.032 175.650 176.600 0.137 0.000 1.007 579 K CA -0.138 56.177 56.287 0.047 0.000 0.941 579 K CB 0.384 32.896 32.500 0.021 0.000 0.966 579 K HN 0.588 nan 8.250 nan 0.000 0.480 580 F N 2.128 122.092 119.950 0.023 0.000 2.411 580 F HA 0.137 4.664 4.527 -0.000 0.000 0.352 580 F C -0.061 175.772 175.800 0.056 0.000 1.123 580 F CA -1.222 56.808 58.000 0.050 0.000 1.044 580 F CB 0.978 40.035 39.000 0.095 0.000 1.135 580 F HN 0.347 nan 8.300 nan 0.000 0.461 581 D N 8.707 128.715 120.400 -0.654 0.000 2.359 581 D HA 0.243 4.883 4.640 -0.000 0.000 0.230 581 D C -1.813 173.924 176.300 -0.940 0.000 1.118 581 D CA -2.367 51.319 54.000 -0.524 0.000 0.844 581 D CB 1.855 42.476 40.800 -0.300 0.000 1.059 581 D HN 0.322 nan 8.370 nan 0.000 0.493 582 P HA -0.039 nan 4.420 nan 0.000 0.236 582 P C 0.955 178.168 177.300 -0.145 0.000 1.172 582 P CA 0.404 63.356 63.100 -0.248 0.000 0.759 582 P CB 0.276 32.103 31.700 0.213 0.000 0.843 583 G N -0.454 108.233 108.800 -0.189 0.000 3.088 583 G HA2 0.050 4.010 3.960 -0.000 0.000 0.217 583 G HA3 0.050 4.010 3.960 -0.000 0.000 0.217 583 G C 0.665 175.504 174.900 -0.100 0.000 1.159 583 G CA 0.361 45.407 45.100 -0.090 0.000 0.760 583 G HN 0.416 nan 8.290 nan 0.000 0.550 584 T N -1.624 112.811 114.554 -0.198 0.000 2.937 584 T HA 0.740 5.090 4.350 -0.000 0.000 0.283 584 T C -0.389 174.261 174.700 -0.083 0.000 1.012 584 T CA -0.822 61.195 62.100 -0.138 0.000 0.997 584 T CB 2.190 70.964 68.868 -0.158 0.000 1.136 584 T HN -0.069 nan 8.240 nan 0.000 0.551 585 I N 0.799 121.324 120.570 -0.076 0.000 2.509 585 I HA 0.536 4.706 4.170 -0.000 0.000 0.293 585 I C -0.256 175.791 176.117 -0.116 0.000 1.020 585 I CA -1.154 60.084 61.300 -0.103 0.000 1.088 585 I CB 1.934 39.764 38.000 -0.283 0.000 1.267 585 I HN 0.408 nan 8.210 nan 0.000 0.430 586 R N 6.809 127.278 120.500 -0.052 0.000 2.483 586 R HA 0.654 4.994 4.340 -0.000 0.000 0.303 586 R C -1.383 174.845 176.300 -0.119 0.000 0.987 586 R CA -0.699 55.368 56.100 -0.056 0.000 0.881 586 R CB 2.022 32.383 30.300 0.101 0.000 1.177 586 R HN 0.559 nan 8.270 nan 0.000 0.451 587 L N 3.020 124.139 121.223 -0.174 0.000 2.342 587 L HA 0.557 4.897 4.340 -0.000 0.000 0.271 587 L C -0.450 176.392 176.870 -0.047 0.000 1.008 587 L CA -1.333 53.419 54.840 -0.147 0.000 0.818 587 L CB 1.830 43.725 42.059 -0.273 0.000 1.296 587 L HN 0.227 nan 8.230 nan 0.000 0.427 588 L N 1.909 123.147 121.223 0.026 0.000 2.277 588 L HA 0.494 4.834 4.340 -0.000 0.000 0.284 588 L C -0.311 176.611 176.870 0.087 0.000 1.028 588 L CA 0.385 55.260 54.840 0.058 0.000 0.835 588 L CB 1.039 43.147 42.059 0.081 0.000 1.215 588 L HN 0.552 nan 8.230 nan 0.000 0.425 589 S N 3.535 119.271 115.700 0.059 0.000 2.681 589 S HA 0.508 4.978 4.470 -0.000 0.000 0.299 589 S C -0.449 174.196 174.600 0.075 0.000 1.113 589 S CA -0.750 57.496 58.200 0.077 0.000 1.013 589 S CB 1.327 64.552 63.200 0.041 0.000 1.076 589 S HN 0.649 nan 8.310 nan 0.000 0.534 590 N N 2.303 121.050 118.700 0.078 0.000 2.558 590 N HA 0.263 5.002 4.740 -0.000 0.000 0.242 590 N C -2.063 173.465 175.510 0.029 0.000 0.979 590 N CA -2.101 50.980 53.050 0.052 0.000 0.931 590 N CB 1.402 39.919 38.487 0.051 0.000 1.122 590 N HN 0.238 nan 8.380 nan 0.000 0.508 591 P HA -0.036 nan 4.420 nan 0.000 0.231 591 P C 0.022 177.326 177.300 0.006 0.000 1.158 591 P CA 0.797 63.907 63.100 0.016 0.000 0.763 591 P CB 0.528 32.239 31.700 0.019 0.000 0.805 592 N N -0.258 118.442 118.700 -0.001 0.000 2.254 592 N HA 0.091 4.831 4.740 -0.000 0.000 0.190 592 N C 0.378 175.872 175.510 -0.027 0.000 1.107 592 N CA 0.318 53.361 53.050 -0.012 0.000 0.869 592 N CB 0.739 39.217 38.487 -0.014 0.000 0.983 592 N HN 0.310 nan 8.380 nan 0.000 0.487 593 K N 0.866 121.247 120.400 -0.032 0.000 2.464 593 K HA 0.397 4.717 4.320 -0.000 0.000 0.253 593 K C -0.750 175.814 176.600 -0.060 0.000 0.933 593 K CA -0.477 55.774 56.287 -0.060 0.000 0.801 593 K CB 2.497 34.942 32.500 -0.092 0.000 1.271 593 K HN -0.011 nan 8.250 nan 0.000 0.430 594 E N 0.962 121.119 120.200 -0.073 0.000 2.392 594 E HA 0.199 4.549 4.350 -0.000 0.000 0.269 594 E C -0.995 175.548 176.600 -0.095 0.000 0.924 594 E CA -1.048 55.314 56.400 -0.063 0.000 0.784 594 E CB 1.998 31.676 29.700 -0.036 0.000 1.292 594 E HN 0.672 nan 8.360 nan 0.000 0.447 595 N N -0.169 118.480 118.700 -0.085 0.000 2.448 595 N HA 0.190 4.930 4.740 -0.000 0.000 0.274 595 N C 0.812 176.284 175.510 -0.063 0.000 1.239 595 N CA -0.808 52.184 53.050 -0.097 0.000 0.982 595 N CB 1.318 39.751 38.487 -0.091 0.000 1.199 595 N HN 0.396 nan 8.380 nan 0.000 0.576 596 R N -0.753 119.714 120.500 -0.056 0.000 2.185 596 R HA -0.130 4.209 4.340 -0.000 0.000 0.247 596 R C 0.783 177.064 176.300 -0.033 0.000 1.159 596 R CA 1.692 57.767 56.100 -0.041 0.000 0.988 596 R CB -0.195 30.084 30.300 -0.035 0.000 0.871 596 R HN 0.636 nan 8.270 nan 0.000 0.458 597 M N -0.914 118.666 119.600 -0.032 0.000 2.431 597 M HA 0.261 4.741 4.480 -0.000 0.000 0.237 597 M C 0.868 177.158 176.300 -0.015 0.000 1.130 597 M CA 0.699 55.985 55.300 -0.024 0.000 1.002 597 M CB 1.250 33.834 32.600 -0.026 0.000 1.524 597 M HN 0.351 nan 8.290 nan 0.000 0.482 598 G N 0.473 109.263 108.800 -0.018 0.000 2.143 598 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.249 598 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.249 598 G C -0.002 174.899 174.900 0.002 0.000 0.981 598 G CA -0.050 45.044 45.100 -0.010 0.000 0.665 598 G HN 0.521 nan 8.290 nan 0.000 0.528 599 N N 1.188 119.892 118.700 0.007 0.000 2.473 599 N HA 0.516 5.256 4.740 -0.000 0.000 0.291 599 N C -2.766 172.764 175.510 0.032 0.000 1.083 599 N CA -1.760 51.311 53.050 0.036 0.000 0.951 599 N CB 1.500 40.022 38.487 0.058 0.000 1.164 599 N HN -0.016 nan 8.380 nan 0.000 0.480 600 P HA -0.039 nan 4.420 nan 0.000 0.267 600 P C -0.510 176.833 177.300 0.073 0.000 1.209 600 P CA -0.312 62.814 63.100 0.044 0.000 0.763 600 P CB 0.463 32.193 31.700 0.050 0.000 0.816 601 V N 1.906 121.836 119.914 0.027 0.000 2.599 601 V HA 0.355 4.474 4.120 -0.000 0.000 0.300 601 V C 0.059 176.285 176.094 0.220 0.000 1.034 601 V CA 0.468 62.798 62.300 0.052 0.000 1.115 601 V CB -0.221 31.503 31.823 -0.165 0.000 0.934 601 V HN 0.491 nan 8.190 nan 0.000 0.485 602 S N 2.998 118.890 115.700 0.321 0.000 2.671 602 S HA 0.760 5.229 4.470 -0.000 0.000 0.277 602 S C -1.491 173.262 174.600 0.256 0.000 1.165 602 S CA -0.549 57.828 58.200 0.296 0.000 0.822 602 S CB 1.679 64.993 63.200 0.190 0.000 1.150 602 S HN 0.738 nan 8.310 nan 0.000 0.479 603 Y N 1.482 121.842 120.300 0.100 0.000 2.373 603 Y HA 0.425 4.975 4.550 0.000 0.000 0.336 603 Y C -0.081 175.839 175.900 0.033 0.000 0.979 603 Y CA -0.471 57.660 58.100 0.052 0.000 1.080 603 Y CB 1.777 40.221 38.460 -0.027 0.000 1.190 603 Y HN 0.626 nan 8.280 nan 0.000 0.446 604 Q N 4.559 124.421 119.800 0.102 0.000 2.288 604 Q HA 0.453 4.793 4.340 -0.000 0.000 0.258 604 Q C -1.178 174.858 176.000 0.061 0.000 0.957 604 Q CA -0.239 55.591 55.803 0.045 0.000 0.919 604 Q CB 0.579 29.390 28.738 0.122 0.000 1.185 604 Q HN 0.677 nan 8.270 nan 0.000 0.408 605 I N 6.093 126.671 120.570 0.013 0.000 2.304 605 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 605 I C -0.303 175.724 176.117 -0.150 0.000 1.018 605 I CA -0.402 60.877 61.300 -0.036 0.000 1.260 605 I CB 0.903 38.885 38.000 -0.031 0.000 1.390 605 I HN 0.581 nan 8.210 nan 0.000 0.475 606 I N 8.667 129.126 120.570 -0.185 0.000 2.555 606 I HA 0.240 4.410 4.170 -0.000 0.000 0.275 606 I C -1.843 174.065 176.117 -0.348 0.000 1.082 606 I CA -1.493 59.627 61.300 -0.301 0.000 1.167 606 I CB 1.268 39.246 38.000 -0.036 0.000 1.312 606 I HN 0.334 nan 8.210 nan 0.000 0.493 607 P HA -0.166 nan 4.420 nan 0.000 0.222 607 P C -0.354 176.984 177.300 0.063 0.000 1.147 607 P CA 1.261 64.230 63.100 -0.219 0.000 0.790 607 P CB 0.016 31.560 31.700 -0.260 0.000 0.780 608 Y N -0.574 119.706 120.300 -0.033 0.000 2.402 608 Y HA 0.611 5.161 4.550 -0.000 0.000 0.325 608 Y C 0.063 176.083 175.900 0.200 0.000 1.009 608 Y CA -1.434 56.769 58.100 0.172 0.000 1.278 608 Y CB 0.694 39.331 38.460 0.296 0.000 1.105 608 Y HN -0.192 nan 8.280 nan 0.000 0.476 609 A N 3.571 126.189 122.820 -0.337 0.000 2.503 609 A HA 0.738 5.058 4.320 -0.000 0.000 0.263 609 A C 0.747 178.095 177.584 -0.392 0.000 1.258 609 A CA 0.343 52.209 52.037 -0.285 0.000 0.936 609 A CB -0.465 18.476 19.000 -0.098 0.000 1.070 609 A HN 1.474 nan 8.150 nan 0.000 0.522 610 G N -2.407 105.902 108.800 -0.818 0.000 2.347 610 G HA2 0.540 4.500 3.960 -0.000 0.000 0.477 610 G HA3 0.540 4.500 3.960 -0.000 0.000 0.477 610 G C -0.346 174.588 174.900 0.057 0.000 1.349 610 G CA -0.130 44.770 45.100 -0.334 0.000 1.000 610 G HN 1.862 nan 8.290 nan 0.000 0.605 611 G N -2.120 106.808 108.800 0.213 0.000 2.442 611 G HA2 0.664 4.624 3.960 -0.000 0.000 0.296 611 G HA3 0.664 4.624 3.960 -0.000 0.000 0.296 611 G C 0.444 175.455 174.900 0.186 0.000 1.564 611 G CA 0.902 46.114 45.100 0.186 0.000 0.828 611 G HN 1.936 nan 8.290 nan 0.000 0.571 612 T N -2.337 112.294 114.554 0.129 0.000 3.081 612 T HA 0.271 4.621 4.350 -0.000 0.000 0.250 612 T C 0.670 175.446 174.700 0.127 0.000 1.100 612 T CA 0.655 62.818 62.100 0.105 0.000 1.038 612 T CB -0.082 68.823 68.868 0.061 0.000 0.962 612 T HN 0.562 nan 8.240 nan 0.000 0.516 613 H N 0.932 120.027 119.070 0.042 0.000 2.710 613 H HA 0.439 4.995 4.556 -0.000 0.000 0.361 613 H C -2.522 172.829 175.328 0.038 0.000 1.175 613 H CA -2.833 53.216 56.048 0.000 0.000 1.206 613 H CB 1.614 31.337 29.762 -0.065 0.000 1.750 613 H HN 0.040 nan 8.280 nan 0.000 0.553 614 P HA -0.074 nan 4.420 nan 0.000 0.265 614 P C -0.879 176.443 177.300 0.037 0.000 1.187 614 P CA 0.043 63.164 63.100 0.034 0.000 0.766 614 P CB 0.575 32.251 31.700 -0.039 0.000 0.820 615 V N 2.230 122.147 119.914 0.005 0.000 2.649 615 V HA 0.390 4.510 4.120 -0.000 0.000 0.292 615 V C 0.648 176.697 176.094 -0.074 0.000 1.055 615 V CA -0.449 61.816 62.300 -0.058 0.000 1.023 615 V CB 0.902 32.563 31.823 -0.271 0.000 0.992 615 V HN 0.634 nan 8.190 nan 0.000 0.480 616 A N 3.882 126.671 122.820 -0.052 0.000 2.391 616 A HA 0.373 4.693 4.320 -0.000 0.000 0.316 616 A C 0.990 178.547 177.584 -0.045 0.000 1.381 616 A CA -0.473 51.538 52.037 -0.044 0.000 0.998 616 A CB -0.063 18.925 19.000 -0.019 0.000 1.147 616 A HN 0.922 nan 8.150 nan 0.000 0.545 617 K N 1.710 122.078 120.400 -0.052 0.000 2.439 617 K HA 0.154 4.474 4.320 -0.000 0.000 0.197 617 K C 0.993 177.597 176.600 0.007 0.000 1.041 617 K CA 0.872 57.137 56.287 -0.036 0.000 0.970 617 K CB 0.155 32.632 32.500 -0.039 0.000 0.773 617 K HN 0.878 nan 8.250 nan 0.000 0.479 618 G N -0.037 108.771 108.800 0.014 0.000 2.335 618 G HA2 0.411 4.371 3.960 -0.000 0.000 0.291 618 G HA3 0.411 4.371 3.960 -0.000 0.000 0.291 618 G C -1.812 173.116 174.900 0.047 0.000 1.261 618 G CA -0.475 44.651 45.100 0.043 0.000 0.871 618 G HN 0.060 nan 8.290 nan 0.000 0.491 619 A N 0.005 122.889 122.820 0.106 0.000 2.320 619 A HA 0.588 4.908 4.320 -0.000 0.000 0.287 619 A C 0.315 177.997 177.584 0.163 0.000 1.181 619 A CA -0.250 51.903 52.037 0.195 0.000 0.831 619 A CB 0.507 19.688 19.000 0.301 0.000 1.102 619 A HN 0.370 nan 8.150 nan 0.000 0.513 620 Q N 2.141 121.898 119.800 -0.072 0.000 3.223 620 Q HA 0.262 4.602 4.340 -0.000 0.000 0.299 620 Q C -1.485 174.134 176.000 -0.634 0.000 1.385 620 Q CA 0.716 56.334 55.803 -0.308 0.000 0.942 620 Q CB -0.906 27.594 28.738 -0.397 0.000 1.748 620 Q HN 0.564 nan 8.270 nan 0.000 0.523 621 F N -0.764 119.230 119.950 0.073 0.000 2.619 621 F HA 0.514 5.041 4.527 -0.000 0.000 0.308 621 F C 0.085 175.871 175.800 -0.024 0.000 1.097 621 F CA -1.364 56.678 58.000 0.071 0.000 0.953 621 F CB 1.074 40.175 39.000 0.169 0.000 1.287 621 F HN 0.052 nan 8.300 nan 0.000 0.446 622 A N 3.281 126.161 122.820 0.098 0.000 2.407 622 A HA 0.391 4.711 4.320 -0.000 0.000 0.248 622 A C -1.578 175.796 177.584 -0.351 0.000 1.082 622 A CA -1.089 50.891 52.037 -0.095 0.000 0.785 622 A CB -0.188 18.780 19.000 -0.053 0.000 1.020 622 A HN 0.588 nan 8.150 nan 0.000 0.489 623 P HA -0.155 nan 4.420 nan 0.000 0.229 623 P C 0.133 177.121 177.300 -0.520 0.000 1.150 623 P CA 1.422 63.901 63.100 -1.034 0.000 0.765 623 P CB 0.069 31.416 31.700 -0.588 0.000 0.783 624 D N -1.756 118.468 120.400 -0.293 0.000 2.369 624 D HA 0.016 4.656 4.640 -0.000 0.000 0.211 624 D C 0.333 176.534 176.300 -0.165 0.000 1.077 624 D CA -0.004 53.870 54.000 -0.211 0.000 0.842 624 D CB -0.224 40.485 40.800 -0.153 0.000 0.947 624 D HN 0.056 nan 8.370 nan 0.000 0.509 625 E N 0.054 120.215 120.200 -0.064 0.000 2.354 625 E HA 0.014 4.364 4.350 -0.000 0.000 0.269 625 E C 0.216 176.845 176.600 0.050 0.000 1.036 625 E CA -0.362 56.083 56.400 0.075 0.000 0.876 625 E CB 0.888 30.695 29.700 0.179 0.000 1.009 625 E HN 0.253 nan 8.360 nan 0.000 0.416 626 W N 2.170 123.507 121.300 0.061 0.000 2.388 626 W HA -0.085 4.575 4.660 -0.000 0.000 0.294 626 W C 2.156 178.659 176.519 -0.026 0.000 1.212 626 W CA 0.274 57.623 57.345 0.006 0.000 1.271 626 W CB -0.115 29.242 29.460 -0.171 0.000 1.126 626 W HN 0.601 nan 8.180 nan 0.000 0.535 627 I N -0.523 120.083 120.570 0.061 0.000 2.286 627 I HA -0.361 3.809 4.170 -0.000 0.000 0.248 627 I C 2.380 178.426 176.117 -0.118 0.000 1.115 627 I CA 1.513 62.743 61.300 -0.116 0.000 1.392 627 I CB -0.319 37.454 38.000 -0.378 0.000 1.065 627 I HN 0.056 nan 8.210 nan 0.000 0.418 628 Y N 0.806 120.988 120.300 -0.198 0.000 2.181 628 Y HA -0.343 4.207 4.550 -0.000 0.000 0.288 628 Y C 2.580 178.456 175.900 -0.041 0.000 1.146 628 Y CA 2.375 60.404 58.100 -0.119 0.000 1.164 628 Y CB -0.639 37.799 38.460 -0.037 0.000 0.982 628 Y HN 0.379 nan 8.280 nan 0.000 0.515 629 H N -0.058 119.096 119.070 0.140 0.000 2.357 629 H HA -0.032 4.524 4.556 -0.000 0.000 0.301 629 H C 2.203 177.555 175.328 0.040 0.000 1.082 629 H CA 2.002 58.090 56.048 0.066 0.000 1.342 629 H CB -0.033 29.672 29.762 -0.094 0.000 1.389 629 H HN 0.240 nan 8.280 nan 0.000 0.511 630 R N -0.405 120.128 120.500 0.056 0.000 2.115 630 R HA 0.078 4.418 4.340 -0.000 0.000 0.226 630 R C 0.126 176.366 176.300 -0.099 0.000 1.100 630 R CA 0.940 57.035 56.100 -0.008 0.000 0.980 630 R CB 0.252 30.609 30.300 0.094 0.000 0.875 630 R HN 0.262 nan 8.270 nan 0.000 0.445 631 L N 0.706 121.844 121.223 -0.143 0.000 2.502 631 L HA 0.268 4.608 4.340 -0.000 0.000 0.247 631 L C 0.492 177.172 176.870 -0.317 0.000 1.180 631 L CA -0.313 54.435 54.840 -0.154 0.000 0.956 631 L CB 1.855 43.806 42.059 -0.180 0.000 1.282 631 L HN -0.004 nan 8.230 nan 0.000 0.470 632 S N 0.988 116.557 115.700 -0.219 0.000 2.399 632 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 632 S C 1.712 176.311 174.600 -0.002 0.000 1.022 632 S CA 1.389 59.493 58.200 -0.160 0.000 0.983 632 S CB -0.220 62.986 63.200 0.009 0.000 0.803 632 S HN 0.737 nan 8.310 nan 0.000 0.480 633 F N 1.391 121.200 119.950 -0.235 0.000 2.408 633 F HA 0.037 4.564 4.527 -0.000 0.000 0.300 633 F C 1.743 177.613 175.800 0.116 0.000 1.090 633 F CA 0.619 58.514 58.000 -0.175 0.000 1.427 633 F CB -1.004 37.698 39.000 -0.495 0.000 1.070 633 F HN 0.089 nan 8.300 nan 0.000 0.549 634 M N 0.337 119.488 119.600 -0.748 0.000 2.296 634 M HA -0.119 4.361 4.480 -0.000 0.000 0.265 634 M C 1.055 177.276 176.300 -0.131 0.000 1.064 634 M CA 1.741 56.727 55.300 -0.524 0.000 1.109 634 M CB -0.488 31.794 32.600 -0.530 0.000 1.396 634 M HN 0.122 nan 8.290 nan 0.000 0.430 635 D N 0.349 120.710 120.400 -0.066 0.000 2.349 635 D HA 0.061 4.701 4.640 -0.000 0.000 0.214 635 D C -0.238 176.110 176.300 0.080 0.000 1.063 635 D CA 0.449 54.460 54.000 0.018 0.000 0.847 635 D CB 0.549 41.321 40.800 -0.047 0.000 0.933 635 D HN -0.083 nan 8.370 nan 0.000 0.513 636 K N 0.198 120.707 120.400 0.182 0.000 2.468 636 K HA 0.266 4.586 4.320 -0.000 0.000 0.252 636 K C 0.005 176.747 176.600 0.237 0.000 0.932 636 K CA -0.452 55.869 56.287 0.057 0.000 0.794 636 K CB 1.834 34.081 32.500 -0.421 0.000 1.241 636 K HN -0.179 nan 8.250 nan 0.000 0.428 637 Q N 0.380 120.278 119.800 0.162 0.000 2.398 637 Q HA 0.138 4.478 4.340 -0.000 0.000 0.204 637 Q C -0.072 176.082 176.000 0.255 0.000 0.932 637 Q CA 0.330 56.283 55.803 0.250 0.000 0.916 637 Q CB 0.246 29.135 28.738 0.250 0.000 1.024 637 Q HN 0.344 nan 8.270 nan 0.000 0.504 638 L N -0.374 120.926 121.223 0.128 0.000 2.436 638 L HA 0.609 4.949 4.340 -0.000 0.000 0.268 638 L C -2.126 174.745 176.870 0.002 0.000 0.974 638 L CA -0.533 54.399 54.840 0.155 0.000 0.826 638 L CB 1.263 43.385 42.059 0.105 0.000 1.291 638 L HN -0.003 nan 8.230 nan 0.000 0.406 639 W N 4.180 125.611 121.300 0.219 0.000 3.032 639 W HA 0.799 5.458 4.660 -0.000 0.000 0.335 639 W C -1.277 175.431 176.519 0.316 0.000 1.154 639 W CA -0.797 56.676 57.345 0.213 0.000 1.204 639 W CB 2.250 31.793 29.460 0.138 0.000 1.416 639 W HN 0.305 nan 8.180 nan 0.000 0.521 640 V N 2.387 122.579 119.914 0.464 0.000 2.668 640 V HA 0.757 4.877 4.120 -0.000 0.000 0.304 640 V C -0.259 176.035 176.094 0.333 0.000 1.071 640 V CA -0.806 61.725 62.300 0.385 0.000 0.894 640 V CB 1.614 33.572 31.823 0.225 0.000 1.008 640 V HN 0.599 nan 8.190 nan 0.000 0.425 641 T N 1.335 116.101 114.554 0.354 0.000 2.865 641 T HA 0.767 5.117 4.350 -0.000 0.000 0.294 641 T C -0.522 174.250 174.700 0.120 0.000 1.119 641 T CA -0.976 61.264 62.100 0.233 0.000 1.007 641 T CB 2.132 71.161 68.868 0.268 0.000 1.225 641 T HN 0.535 nan 8.240 nan 0.000 0.515 642 R N 0.516 120.996 120.500 -0.034 0.000 2.543 642 R HA 0.335 4.674 4.340 -0.000 0.000 0.277 642 R C -0.801 175.324 176.300 -0.291 0.000 1.074 642 R CA -0.707 55.306 56.100 -0.145 0.000 1.076 642 R CB -0.372 29.789 30.300 -0.232 0.000 0.993 642 R HN 0.741 nan 8.270 nan 0.000 0.459 643 Y N 3.956 124.141 120.300 -0.193 0.000 2.717 643 Y HA 0.085 4.635 4.550 -0.000 0.000 0.330 643 Y C -0.788 175.053 175.900 -0.097 0.000 1.217 643 Y CA 0.730 58.758 58.100 -0.121 0.000 1.506 643 Y CB 0.160 38.601 38.460 -0.032 0.000 1.268 643 Y HN 0.682 nan 8.280 nan 0.000 0.561 644 H N 6.795 125.364 119.070 -0.834 0.000 3.083 644 H HA 0.185 4.741 4.556 -0.000 0.000 0.339 644 H C -2.100 172.769 175.328 -0.765 0.000 1.020 644 H CA -2.016 53.584 56.048 -0.747 0.000 1.360 644 H CB 1.891 31.439 29.762 -0.355 0.000 1.811 644 H HN 0.437 nan 8.280 nan 0.000 0.493 645 P HA -0.135 nan 4.420 nan 0.000 0.219 645 P C 1.490 178.675 177.300 -0.191 0.000 1.146 645 P CA 1.305 64.243 63.100 -0.271 0.000 0.808 645 P CB 0.284 31.903 31.700 -0.135 0.000 0.779 646 G N -1.009 107.676 108.800 -0.191 0.000 3.042 646 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.212 646 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.212 646 G C 0.179 174.951 174.900 -0.213 0.000 1.166 646 G CA -0.071 44.935 45.100 -0.156 0.000 0.767 646 G HN 0.281 nan 8.290 nan 0.000 0.546 647 E N 0.574 120.575 120.200 -0.331 0.000 2.028 647 E HA 0.379 4.729 4.350 -0.000 0.000 0.266 647 E C 0.255 176.610 176.600 -0.408 0.000 0.962 647 E CA -0.332 55.671 56.400 -0.662 0.000 0.784 647 E CB 0.969 29.990 29.700 -1.133 0.000 1.114 647 E HN 0.246 nan 8.360 nan 0.000 0.414 648 R N 1.553 121.797 120.500 -0.426 0.000 2.521 648 R HA 0.199 4.539 4.340 -0.000 0.000 0.289 648 R C -0.422 175.630 176.300 -0.414 0.000 0.936 648 R CA -0.047 55.746 56.100 -0.511 0.000 1.089 648 R CB 0.733 30.459 30.300 -0.957 0.000 1.348 648 R HN 0.220 nan 8.270 nan 0.000 0.536 649 F N 2.075 122.209 119.950 0.305 0.000 2.493 649 F HA 0.375 4.902 4.527 -0.000 0.000 0.329 649 F C -1.592 174.207 175.800 -0.003 0.000 1.126 649 F CA -3.134 54.956 58.000 0.149 0.000 0.937 649 F CB 1.538 40.539 39.000 0.001 0.000 1.146 649 F HN -0.269 nan 8.300 nan 0.000 0.442 650 P HA -0.188 nan 4.420 nan 0.000 0.218 650 P C 0.736 177.646 177.300 -0.651 0.000 1.149 650 P CA 1.646 64.350 63.100 -0.660 0.000 0.817 650 P CB 0.282 31.376 31.700 -1.011 0.000 0.785 651 E N 0.538 120.460 120.200 -0.464 0.000 2.465 651 E HA 0.204 4.554 4.350 -0.000 0.000 0.191 651 E C 0.803 177.329 176.600 -0.124 0.000 1.053 651 E CA 0.319 56.605 56.400 -0.190 0.000 0.869 651 E CB -0.611 29.055 29.700 -0.058 0.000 0.977 651 E HN 0.190 nan 8.360 nan 0.000 0.483 652 G N 1.809 110.547 108.800 -0.104 0.000 2.690 652 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.686 652 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.686 652 G C 0.093 175.007 174.900 0.022 0.000 1.277 652 G CA -0.066 45.004 45.100 -0.050 0.000 0.799 652 G HN 0.166 nan 8.290 nan 0.000 0.613 653 K N -0.679 119.738 120.400 0.028 0.000 2.057 653 K HA 0.035 4.355 4.320 -0.000 0.000 0.206 653 K C 0.323 176.581 176.600 -0.571 0.000 1.050 653 K CA 1.359 57.523 56.287 -0.205 0.000 0.935 653 K CB -0.074 32.251 32.500 -0.292 0.000 0.715 653 K HN 0.490 nan 8.250 nan 0.000 0.439 654 Y N 0.692 120.971 120.300 -0.035 0.000 2.837 654 Y HA 0.254 4.804 4.550 -0.000 0.000 0.356 654 Y C -1.979 173.873 175.900 -0.081 0.000 1.035 654 Y CA -2.444 55.617 58.100 -0.065 0.000 1.165 654 Y CB 1.386 39.815 38.460 -0.052 0.000 1.147 654 Y HN 0.145 nan 8.280 nan 0.000 0.628 655 P HA -0.062 nan 4.420 nan 0.000 0.241 655 P C 0.048 177.335 177.300 -0.022 0.000 1.191 655 P CA 0.410 63.494 63.100 -0.027 0.000 0.771 655 P CB 0.500 32.177 31.700 -0.039 0.000 0.929 656 N N 1.955 120.653 118.700 -0.002 0.000 2.431 656 N HA -0.005 4.735 4.740 -0.000 0.000 0.265 656 N C 0.241 175.677 175.510 -0.123 0.000 1.184 656 N CA 0.149 53.171 53.050 -0.048 0.000 0.943 656 N CB -0.473 37.994 38.487 -0.034 0.000 1.080 656 N HN -0.089 nan 8.380 nan 0.000 0.477 657 R N 0.432 120.836 120.500 -0.160 0.000 3.641 657 R HA -0.179 4.161 4.340 -0.000 0.000 0.286 657 R C -0.325 175.838 176.300 -0.229 0.000 1.153 657 R CA 0.829 56.800 56.100 -0.216 0.000 0.775 657 R CB -2.687 27.340 30.300 -0.454 0.000 1.215 657 R HN 0.736 nan 8.270 nan 0.000 0.474 658 S N -0.828 114.767 115.700 -0.175 0.000 2.572 658 S HA 0.144 4.614 4.470 -0.000 0.000 0.279 658 S C 1.566 175.939 174.600 -0.378 0.000 1.341 658 S CA 0.079 58.134 58.200 -0.242 0.000 1.043 658 S CB 1.620 64.710 63.200 -0.184 0.000 0.887 658 S HN 0.339 nan 8.310 nan 0.000 0.516 659 T N -1.820 112.438 114.554 -0.493 0.000 3.037 659 T HA 0.224 4.574 4.350 -0.000 0.000 0.251 659 T C 0.303 175.147 174.700 0.240 0.000 1.079 659 T CA 0.688 62.489 62.100 -0.498 0.000 1.067 659 T CB -0.725 67.848 68.868 -0.491 0.000 0.948 659 T HN 1.048 nan 8.240 nan 0.000 0.496 660 H N -2.026 117.128 119.070 0.139 0.000 2.990 660 H HA 0.609 5.165 4.556 -0.000 0.000 0.336 660 H C -1.660 173.667 175.328 -0.002 0.000 1.306 660 H CA -1.119 55.046 56.048 0.195 0.000 1.118 660 H CB 0.359 30.247 29.762 0.210 0.000 1.856 660 H HN -0.107 nan 8.280 nan 0.000 0.538 661 D N 0.941 121.326 120.400 -0.025 0.000 2.342 661 D HA 0.046 4.686 4.640 -0.000 0.000 0.260 661 D C 0.597 176.847 176.300 -0.083 0.000 1.278 661 D CA 0.549 54.471 54.000 -0.129 0.000 0.910 661 D CB 0.716 41.387 40.800 -0.214 0.000 1.079 661 D HN 0.715 nan 8.370 nan 0.000 0.496 662 T N 0.386 114.839 114.554 -0.170 0.000 3.092 662 T HA 0.357 4.707 4.350 -0.000 0.000 0.258 662 T C 0.982 175.445 174.700 -0.395 0.000 1.031 662 T CA -0.201 61.800 62.100 -0.164 0.000 0.925 662 T CB 0.763 69.576 68.868 -0.091 0.000 1.036 662 T HN 0.246 nan 8.240 nan 0.000 0.544 663 G N 1.374 109.852 108.800 -0.536 0.000 3.227 663 G HA2 0.469 4.429 3.960 -0.000 0.000 0.171 663 G HA3 0.469 4.429 3.960 -0.000 0.000 0.171 663 G C 0.840 174.863 174.900 -1.462 0.000 1.463 663 G CA -0.696 43.852 45.100 -0.919 0.000 1.016 663 G HN 0.286 nan 8.290 nan 0.000 0.594 664 L N 0.959 121.520 121.223 -1.103 0.000 2.189 664 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 664 L C 3.009 179.516 176.870 -0.606 0.000 1.097 664 L CA 1.122 55.368 54.840 -0.990 0.000 0.764 664 L CB -0.453 40.725 42.059 -1.467 0.000 0.900 664 L HN 0.570 nan 8.230 nan 0.000 0.436 665 G N -1.193 107.319 108.800 -0.479 0.000 2.422 665 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 665 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 665 G C 1.509 176.316 174.900 -0.155 0.000 1.140 665 G CA 0.568 45.553 45.100 -0.193 0.000 0.775 665 G HN 0.416 nan 8.290 nan 0.000 0.545 666 Q N -0.972 118.649 119.800 -0.298 0.000 2.163 666 Q HA -0.042 4.298 4.340 -0.000 0.000 0.198 666 Q C 2.152 178.132 176.000 -0.034 0.000 0.954 666 Q CA 0.555 56.258 55.803 -0.168 0.000 0.851 666 Q CB -0.076 28.540 28.738 -0.204 0.000 0.928 666 Q HN 0.536 nan 8.270 nan 0.000 0.459 667 Y N 0.334 120.592 120.300 -0.069 0.000 2.403 667 Y HA -0.090 4.460 4.550 -0.000 0.000 0.291 667 Y C 2.477 178.388 175.900 0.020 0.000 1.143 667 Y CA 1.182 59.261 58.100 -0.034 0.000 1.257 667 Y CB -0.406 37.973 38.460 -0.135 0.000 0.984 667 Y HN 0.259 nan 8.280 nan 0.000 0.550 668 S N -1.275 114.520 115.700 0.159 0.000 2.512 668 S HA 0.060 4.530 4.470 -0.000 0.000 0.216 668 S C 1.791 176.468 174.600 0.128 0.000 1.006 668 S CA -0.137 58.165 58.200 0.169 0.000 0.915 668 S CB -0.002 63.346 63.200 0.248 0.000 0.824 668 S HN 0.302 nan 8.310 nan 0.000 0.497 669 K N 2.490 122.947 120.400 0.096 0.000 2.077 669 K HA -0.250 4.070 4.320 -0.000 0.000 0.213 669 K C 1.542 178.187 176.600 0.075 0.000 1.051 669 K CA 2.270 58.602 56.287 0.074 0.000 0.929 669 K CB -0.463 32.067 32.500 0.049 0.000 0.715 669 K HN 0.671 nan 8.250 nan 0.000 0.451 670 D N -0.241 120.211 120.400 0.087 0.000 2.310 670 D HA -0.240 4.400 4.640 -0.000 0.000 0.212 670 D C 0.018 176.366 176.300 0.079 0.000 0.965 670 D CA 0.820 54.869 54.000 0.082 0.000 0.879 670 D CB -0.889 39.970 40.800 0.097 0.000 0.921 670 D HN 0.477 nan 8.370 nan 0.000 0.510 671 N N 1.022 119.774 118.700 0.086 0.000 2.696 671 N HA -0.176 4.564 4.740 -0.000 0.000 0.256 671 N C -0.824 174.732 175.510 0.076 0.000 1.031 671 N CA 0.053 53.150 53.050 0.079 0.000 0.730 671 N CB -0.536 37.988 38.487 0.063 0.000 0.894 671 N HN 0.411 nan 8.380 nan 0.000 0.544 672 E N 0.110 120.361 120.200 0.085 0.000 2.369 672 E HA 0.155 4.505 4.350 -0.000 0.000 0.255 672 E C 0.255 176.898 176.600 0.071 0.000 1.172 672 E CA -0.393 56.054 56.400 0.079 0.000 0.932 672 E CB 0.801 30.554 29.700 0.089 0.000 1.040 672 E HN 0.285 nan 8.360 nan 0.000 0.454 673 S N 0.589 116.328 115.700 0.065 0.000 2.549 673 S HA 0.103 4.573 4.470 -0.000 0.000 0.279 673 S C 0.303 174.940 174.600 0.062 0.000 1.321 673 S CA -0.357 57.879 58.200 0.060 0.000 1.054 673 S CB 0.127 63.360 63.200 0.054 0.000 0.899 673 S HN 0.416 nan 8.310 nan 0.000 0.497 674 L N 3.324 124.585 121.223 0.062 0.000 2.965 674 L HA 0.343 4.683 4.340 -0.000 0.000 0.254 674 L C -0.040 176.863 176.870 0.056 0.000 1.220 674 L CA -0.212 54.667 54.840 0.064 0.000 1.023 674 L CB 0.235 42.339 42.059 0.074 0.000 1.355 674 L HN 0.589 nan 8.230 nan 0.000 0.545 675 D N 1.231 121.662 120.400 0.051 0.000 2.316 675 D HA 0.047 4.687 4.640 -0.000 0.000 0.245 675 D C 0.629 176.954 176.300 0.041 0.000 1.171 675 D CA 0.021 54.048 54.000 0.044 0.000 0.856 675 D CB 0.320 41.145 40.800 0.042 0.000 1.090 675 D HN 0.165 nan 8.370 nan 0.000 0.476 676 N N 2.892 121.615 118.700 0.038 0.000 2.667 676 N HA -0.259 4.481 4.740 -0.000 0.000 0.263 676 N C -1.292 174.241 175.510 0.037 0.000 1.038 676 N CA 0.774 53.844 53.050 0.034 0.000 0.749 676 N CB -0.427 38.077 38.487 0.028 0.000 0.892 676 N HN 0.479 nan 8.380 nan 0.000 0.546 677 T N -0.410 114.171 114.554 0.044 0.000 2.731 677 T HA 0.133 4.483 4.350 -0.000 0.000 0.300 677 T C -1.775 172.958 174.700 0.055 0.000 1.283 677 T CA -0.620 61.510 62.100 0.050 0.000 1.005 677 T CB 1.459 70.361 68.868 0.056 0.000 1.420 677 T HN 0.191 nan 8.240 nan 0.000 0.503 678 D N 1.471 121.911 120.400 0.067 0.000 2.342 678 D HA 0.517 5.157 4.640 -0.000 0.000 0.260 678 D C -0.141 176.218 176.300 0.097 0.000 1.278 678 D CA 0.069 54.114 54.000 0.075 0.000 0.910 678 D CB 0.453 41.311 40.800 0.096 0.000 1.079 678 D HN 0.744 nan 8.370 nan 0.000 0.496 679 A N 3.080 125.951 122.820 0.084 0.000 2.294 679 A HA 0.679 4.999 4.320 -0.000 0.000 0.330 679 A C -0.739 176.905 177.584 0.100 0.000 1.133 679 A CA -0.633 51.463 52.037 0.098 0.000 0.836 679 A CB 1.513 20.568 19.000 0.093 0.000 1.190 679 A HN 0.352 nan 8.150 nan 0.000 0.492 680 V N 1.628 121.614 119.914 0.121 0.000 2.531 680 V HA 0.387 4.507 4.120 -0.000 0.000 0.301 680 V C -0.428 175.708 176.094 0.070 0.000 1.034 680 V CA -0.514 61.812 62.300 0.043 0.000 0.865 680 V CB 1.567 33.404 31.823 0.023 0.000 0.995 680 V HN 0.680 nan 8.190 nan 0.000 0.424 681 V N 3.850 123.747 119.914 -0.029 0.000 2.539 681 V HA 0.494 4.614 4.120 -0.000 0.000 0.292 681 V C -0.966 175.114 176.094 -0.023 0.000 1.045 681 V CA -0.463 61.891 62.300 0.090 0.000 0.945 681 V CB 1.642 33.510 31.823 0.075 0.000 0.993 681 V HN 0.902 nan 8.190 nan 0.000 0.464 682 W N 4.304 125.731 121.300 0.211 0.000 2.619 682 W HA 0.720 5.380 4.660 -0.000 0.000 0.327 682 W C -0.322 176.372 176.519 0.293 0.000 1.027 682 W CA -0.602 56.875 57.345 0.219 0.000 1.233 682 W CB 1.309 30.865 29.460 0.160 0.000 1.370 682 W HN 0.269 nan 8.180 nan 0.000 0.453 683 M N 3.113 122.983 119.600 0.451 0.000 2.227 683 M HA 0.427 4.907 4.480 -0.000 0.000 0.335 683 M C -0.313 176.249 176.300 0.436 0.000 1.053 683 M CA -0.333 55.205 55.300 0.396 0.000 0.973 683 M CB 1.768 34.540 32.600 0.287 0.000 1.623 683 M HN 0.229 nan 8.290 nan 0.000 0.434 684 T N 1.628 116.438 114.554 0.428 0.000 2.758 684 T HA 0.428 4.778 4.350 -0.000 0.000 0.285 684 T C -0.337 174.565 174.700 0.337 0.000 0.981 684 T CA -0.381 61.961 62.100 0.403 0.000 0.965 684 T CB 1.200 70.346 68.868 0.463 0.000 0.927 684 T HN 0.671 nan 8.240 nan 0.000 0.448 685 T N 2.246 117.010 114.554 0.351 0.000 2.881 685 T HA 0.752 5.102 4.350 -0.000 0.000 0.290 685 T C -0.263 174.631 174.700 0.324 0.000 1.000 685 T CA -0.371 61.937 62.100 0.347 0.000 0.978 685 T CB 1.013 70.127 68.868 0.410 0.000 0.997 685 T HN 0.784 nan 8.240 nan 0.000 0.443 686 G N 1.859 110.792 108.800 0.222 0.000 2.708 686 G HA2 0.748 4.708 3.960 -0.000 0.000 0.289 686 G HA3 0.748 4.708 3.960 -0.000 0.000 0.289 686 G C -0.682 174.295 174.900 0.128 0.000 1.416 686 G CA -0.424 44.761 45.100 0.141 0.000 0.829 686 G HN 0.982 nan 8.290 nan 0.000 0.480 687 T N -2.834 111.786 114.554 0.111 0.000 2.916 687 T HA 0.734 5.084 4.350 -0.000 0.000 0.292 687 T C -0.706 173.998 174.700 0.007 0.000 1.055 687 T CA -0.649 61.511 62.100 0.100 0.000 1.009 687 T CB 2.041 71.030 68.868 0.202 0.000 1.118 687 T HN 0.454 nan 8.240 nan 0.000 0.497 688 T N 1.741 116.263 114.554 -0.052 0.000 2.770 688 T HA 0.363 4.713 4.350 -0.000 0.000 0.283 688 T C -0.916 173.671 174.700 -0.188 0.000 0.988 688 T CA -0.471 61.545 62.100 -0.140 0.000 0.957 688 T CB 0.204 68.994 68.868 -0.130 0.000 0.930 688 T HN 0.799 nan 8.240 nan 0.000 0.443 689 H N 3.091 121.887 119.070 -0.456 0.000 2.581 689 H HA 0.563 5.119 4.556 -0.000 0.000 0.308 689 H C -1.054 174.008 175.328 -0.443 0.000 1.040 689 H CA -0.721 54.989 56.048 -0.563 0.000 1.231 689 H CB 0.536 29.929 29.762 -0.616 0.000 1.396 689 H HN 0.296 nan 8.280 nan 0.000 0.467 690 V N 5.308 125.171 119.914 -0.084 0.000 2.347 690 V HA 0.347 4.467 4.120 -0.000 0.000 0.280 690 V C 0.565 176.656 176.094 -0.005 0.000 1.021 690 V CA -0.534 61.697 62.300 -0.113 0.000 0.847 690 V CB 0.703 32.469 31.823 -0.095 0.000 0.990 690 V HN 0.935 nan 8.190 nan 0.000 0.444 691 A N 6.622 129.371 122.820 -0.118 0.000 2.346 691 A HA 0.782 5.102 4.320 -0.000 0.000 0.255 691 A C 0.379 177.995 177.584 0.053 0.000 1.113 691 A CA -0.068 51.972 52.037 0.005 0.000 0.798 691 A CB 0.424 19.367 19.000 -0.095 0.000 1.073 691 A HN 1.013 nan 8.150 nan 0.000 0.502 692 R N -2.080 118.483 120.500 0.104 0.000 2.716 692 R HA 0.638 4.978 4.340 -0.000 0.000 0.271 692 R C 0.365 176.725 176.300 0.099 0.000 1.028 692 R CA -0.264 55.883 56.100 0.078 0.000 0.883 692 R CB 1.155 31.510 30.300 0.092 0.000 1.250 692 R HN 0.720 nan 8.270 nan 0.000 0.465 693 A N 0.836 123.701 122.820 0.076 0.000 1.972 693 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 693 A C 1.386 179.056 177.584 0.144 0.000 1.169 693 A CA 1.742 53.841 52.037 0.104 0.000 0.635 693 A CB -0.635 18.403 19.000 0.064 0.000 0.810 693 A HN 0.820 nan 8.150 nan 0.000 0.446 694 E N 0.425 120.693 120.200 0.115 0.000 2.401 694 E HA -0.127 4.223 4.350 -0.000 0.000 0.199 694 E C 0.970 177.643 176.600 0.122 0.000 1.023 694 E CA 1.174 57.636 56.400 0.103 0.000 0.859 694 E CB -0.140 29.609 29.700 0.082 0.000 0.780 694 E HN 0.805 nan 8.360 nan 0.000 0.523 695 E N -0.777 119.530 120.200 0.178 0.000 2.496 695 E HA 0.072 4.422 4.350 -0.000 0.000 0.200 695 E C -0.450 176.320 176.600 0.284 0.000 1.016 695 E CA -0.291 56.227 56.400 0.198 0.000 0.962 695 E CB 0.408 30.265 29.700 0.261 0.000 1.071 695 E HN 0.172 nan 8.360 nan 0.000 0.457 696 W N 2.079 123.394 121.300 0.025 0.000 3.022 696 W HA 0.243 4.903 4.660 -0.000 0.000 0.335 696 W C -2.300 174.232 176.519 0.021 0.000 1.133 696 W CA -2.002 55.354 57.345 0.018 0.000 1.219 696 W CB 1.783 31.254 29.460 0.019 0.000 1.409 696 W HN -0.135 nan 8.180 nan 0.000 0.507 697 P HA 0.049 nan 4.420 nan 0.000 0.233 697 P C 0.112 177.023 177.300 -0.649 0.000 1.167 697 P CA 0.933 63.294 63.100 -1.230 0.000 0.770 697 P CB 1.458 32.652 31.700 -0.842 0.000 0.837 698 I N -0.464 119.928 120.570 -0.296 0.000 2.619 698 I HA 0.336 4.505 4.170 -0.000 0.000 0.292 698 I C -0.711 175.336 176.117 -0.117 0.000 1.100 698 I CA -1.644 59.504 61.300 -0.254 0.000 1.043 698 I CB 2.691 40.529 38.000 -0.270 0.000 1.239 698 I HN -0.278 nan 8.210 nan 0.000 0.420 699 M N 9.399 128.937 119.600 -0.104 0.000 2.120 699 M HA 0.465 4.944 4.480 -0.000 0.000 0.354 699 M C -2.443 173.798 176.300 -0.098 0.000 1.287 699 M CA -1.400 53.876 55.300 -0.040 0.000 1.103 699 M CB 0.985 33.598 32.600 0.020 0.000 1.623 699 M HN 0.256 nan 8.290 nan 0.000 0.471 700 P HA 0.050 nan 4.420 nan 0.000 0.268 700 P C -0.893 176.319 177.300 -0.146 0.000 1.204 700 P CA 0.084 63.135 63.100 -0.082 0.000 0.768 700 P CB 0.391 32.069 31.700 -0.037 0.000 0.842 701 T N 3.999 118.455 114.554 -0.165 0.000 2.891 701 T HA -0.001 4.349 4.350 -0.000 0.000 0.296 701 T C 0.260 174.775 174.700 -0.308 0.000 1.025 701 T CA 0.387 62.312 62.100 -0.291 0.000 1.149 701 T CB -0.156 68.558 68.868 -0.257 0.000 1.007 701 T HN 0.341 nan 8.240 nan 0.000 0.528 702 E N 2.141 122.046 120.200 -0.491 0.000 2.199 702 E HA 0.343 4.693 4.350 -0.000 0.000 0.269 702 E C -0.887 175.420 176.600 -0.489 0.000 0.899 702 E CA -0.489 55.645 56.400 -0.443 0.000 0.772 702 E CB 1.690 30.961 29.700 -0.716 0.000 1.155 702 E HN 0.595 nan 8.360 nan 0.000 0.408 703 W N 1.393 122.547 121.300 -0.243 0.000 2.706 703 W HA 0.518 5.178 4.660 0.000 0.000 0.346 703 W C -0.262 176.020 176.519 -0.395 0.000 1.071 703 W CA -0.750 56.409 57.345 -0.310 0.000 1.206 703 W CB 1.442 30.729 29.460 -0.289 0.000 1.413 703 W HN 0.203 nan 8.180 nan 0.000 0.542 704 V N -0.742 119.037 119.914 -0.224 0.000 2.876 704 V HA 0.624 4.744 4.120 -0.000 0.000 0.312 704 V C -0.886 174.916 176.094 -0.488 0.000 1.085 704 V CA -0.977 61.172 62.300 -0.253 0.000 0.945 704 V CB 1.910 33.768 31.823 0.059 0.000 1.017 704 V HN 0.631 nan 8.190 nan 0.000 0.428 705 H N 2.001 121.093 119.070 0.036 0.000 2.637 705 H HA 0.814 5.370 4.556 -0.000 0.000 0.363 705 H C -0.327 174.948 175.328 -0.087 0.000 1.131 705 H CA 0.051 56.062 56.048 -0.062 0.000 1.183 705 H CB 2.354 32.052 29.762 -0.106 0.000 1.637 705 H HN 1.062 nan 8.280 nan 0.000 0.531 706 T N 0.113 114.647 114.554 -0.033 0.000 2.906 706 T HA 0.666 5.015 4.350 -0.000 0.000 0.295 706 T C -0.905 173.709 174.700 -0.144 0.000 1.075 706 T CA -0.802 61.243 62.100 -0.092 0.000 1.005 706 T CB 1.995 70.779 68.868 -0.139 0.000 1.136 706 T HN 0.224 nan 8.240 nan 0.000 0.498 707 L N 0.554 121.698 121.223 -0.132 0.000 2.465 707 L HA 0.728 5.068 4.340 -0.000 0.000 0.257 707 L C -1.630 175.184 176.870 -0.093 0.000 0.988 707 L CA -0.864 53.897 54.840 -0.132 0.000 0.827 707 L CB 2.339 44.340 42.059 -0.097 0.000 1.397 707 L HN 0.806 nan 8.230 nan 0.000 0.410 708 L N 2.993 124.177 121.223 -0.066 0.000 2.457 708 L HA 0.519 4.859 4.340 -0.000 0.000 0.266 708 L C -0.901 176.053 176.870 0.140 0.000 0.979 708 L CA -0.630 54.252 54.840 0.071 0.000 0.857 708 L CB 1.600 43.693 42.059 0.058 0.000 1.213 708 L HN 0.476 nan 8.230 nan 0.000 0.418 709 K N 4.328 124.777 120.400 0.081 0.000 2.221 709 K HA 0.505 4.825 4.320 -0.000 0.000 0.258 709 K C -2.578 173.784 176.600 -0.396 0.000 0.944 709 K CA -1.817 54.431 56.287 -0.064 0.000 0.823 709 K CB 2.120 34.625 32.500 0.008 0.000 1.113 709 K HN 0.208 nan 8.250 nan 0.000 0.431 710 P HA -0.068 nan 4.420 nan 0.000 0.271 710 P C -0.961 176.199 177.300 -0.234 0.000 1.220 710 P CA -0.044 62.485 63.100 -0.953 0.000 0.768 710 P CB 0.577 31.991 31.700 -0.477 0.000 0.848 711 W N 5.736 126.857 121.300 -0.298 0.000 2.453 711 W HA 0.159 4.819 4.660 0.000 0.000 0.310 711 W C -0.359 176.140 176.519 -0.033 0.000 1.000 711 W CA -0.316 56.965 57.345 -0.107 0.000 1.367 711 W CB 0.062 29.474 29.460 -0.079 0.000 1.269 711 W HN 0.538 nan 8.180 nan 0.000 0.418 712 N N 3.640 122.283 118.700 -0.094 0.000 2.747 712 N HA -0.320 4.420 4.740 -0.000 0.000 0.249 712 N C 0.273 175.790 175.510 0.011 0.000 1.107 712 N CA 1.470 54.497 53.050 -0.039 0.000 0.707 712 N CB -1.939 36.561 38.487 0.021 0.000 1.054 712 N HN 0.523 nan 8.380 nan 0.000 0.555 713 F N -0.226 119.605 119.950 -0.199 0.000 2.335 713 F HA 0.236 4.763 4.527 -0.000 0.000 0.296 713 F C 0.766 176.226 175.800 -0.567 0.000 1.091 713 F CA 0.680 58.446 58.000 -0.389 0.000 1.399 713 F CB 0.224 38.877 39.000 -0.578 0.000 1.067 713 F HN -0.023 nan 8.300 nan 0.000 0.520 714 F N 0.184 120.132 119.950 -0.003 0.000 2.525 714 F HA 0.280 4.807 4.527 -0.000 0.000 0.346 714 F C 1.198 176.939 175.800 -0.098 0.000 1.072 714 F CA -0.839 57.111 58.000 -0.083 0.000 1.033 714 F CB 0.313 39.273 39.000 -0.068 0.000 1.324 714 F HN -0.297 nan 8.300 nan 0.000 0.491 715 D N -0.420 120.056 120.400 0.128 0.000 2.398 715 D HA 0.109 4.749 4.640 -0.000 0.000 0.210 715 D C -0.157 176.147 176.300 0.006 0.000 1.094 715 D CA 0.466 54.481 54.000 0.026 0.000 0.839 715 D CB 0.479 41.281 40.800 0.003 0.000 0.963 715 D HN 0.735 nan 8.370 nan 0.000 0.506 716 E N -1.618 118.596 120.200 0.023 0.000 2.429 716 E HA 0.174 4.524 4.350 -0.000 0.000 0.277 716 E C -1.166 175.392 176.600 -0.071 0.000 1.130 716 E CA -0.832 55.544 56.400 -0.039 0.000 0.875 716 E CB 0.096 29.766 29.700 -0.050 0.000 1.443 716 E HN -0.313 nan 8.360 nan 0.000 0.444 717 T N 2.709 117.200 114.554 -0.105 0.000 2.704 717 T HA 0.018 4.368 4.350 -0.000 0.000 0.271 717 T C -1.804 172.810 174.700 -0.142 0.000 1.000 717 T CA -0.201 61.827 62.100 -0.119 0.000 1.216 717 T CB 0.017 68.793 68.868 -0.153 0.000 0.961 717 T HN 0.312 nan 8.240 nan 0.000 0.515 718 P HA -0.052 nan 4.420 nan 0.000 0.222 718 P C 1.469 178.654 177.300 -0.191 0.000 1.147 718 P CA 0.766 63.601 63.100 -0.442 0.000 0.790 718 P CB 0.044 31.236 31.700 -0.846 0.000 0.780 719 T N -4.733 109.796 114.554 -0.042 0.000 3.122 719 T HA 0.199 4.549 4.350 -0.000 0.000 0.250 719 T C 1.519 176.288 174.700 0.115 0.000 1.067 719 T CA -0.116 62.011 62.100 0.046 0.000 0.966 719 T CB -0.846 68.076 68.868 0.090 0.000 1.002 719 T HN -0.001 nan 8.240 nan 0.000 0.542 720 L N 1.150 122.424 121.223 0.085 0.000 2.131 720 L HA 0.253 4.593 4.340 -0.000 0.000 0.210 720 L C 1.615 178.515 176.870 0.049 0.000 1.092 720 L CA 1.255 56.147 54.840 0.087 0.000 0.759 720 L CB -0.853 41.204 42.059 -0.002 0.000 0.903 720 L HN 0.753 nan 8.230 nan 0.000 0.435 721 G N -1.560 107.247 108.800 0.012 0.000 2.479 721 G HA2 0.084 4.044 3.960 -0.000 0.000 0.686 721 G HA3 0.084 4.044 3.960 -0.000 0.000 0.686 721 G C -0.680 174.217 174.900 -0.005 0.000 1.295 721 G CA -0.612 44.488 45.100 -0.000 0.000 0.922 721 G HN 0.357 nan 8.290 nan 0.000 0.582 722 A N -0.209 122.607 122.820 -0.006 0.000 2.371 722 A HA 0.700 5.020 4.320 -0.000 0.000 0.257 722 A C 0.863 178.444 177.584 -0.004 0.000 1.089 722 A CA -0.149 51.886 52.037 -0.003 0.000 0.794 722 A CB 0.245 19.243 19.000 -0.004 0.000 1.029 722 A HN 1.286 nan 8.150 nan 0.000 0.488 723 L N 2.149 123.370 121.223 -0.004 0.000 2.416 723 L HA 0.151 4.491 4.340 -0.000 0.000 0.272 723 L C 0.902 177.769 176.870 -0.005 0.000 1.161 723 L CA -0.121 54.716 54.840 -0.005 0.000 0.845 723 L CB 0.471 42.526 42.059 -0.006 0.000 1.119 723 L HN 0.769 nan 8.230 nan 0.000 0.464 724 K N 0.000 120.397 120.400 -0.004 0.000 2.780 724 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 724 K CA 0.000 56.284 56.287 -0.004 0.000 0.838 724 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 724 K HN 0.000 nan 8.250 nan 0.000 0.543