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 1sgx_1_A DATA FIRST_RESID 1 DATA SEQUENCE AALGVQSINW QTAFNRQAHH TDKFSSQELI LRRGQNFQVL MIMNKGLGSN DATA SEQUENCE ERLEFIVSTG PYPSESAMTK AVFPLSNGSS GGWSAVLQAS NGNTLTISIS DATA SEQUENCE SPASAPIGRY TMALQIFSQG GISSVKLGTF ILLFNPWLNV DSVFMGNHAE DATA SEQUENCE REEYVQEDAG IIFVGSTNRI GMIGWNFGQF EEDILSICLS ILDRSLNFRR DATA SEQUENCE DAATDVASRN DPKYVGRVLS AMINSNDDNG VLAGNWSGTY TGGRDPRSWN DATA SEQUENCE GSVEILKNWK KSGLSPVRYG QCWVFAGTLN TALRSLGIPS RVITNFNSAH DATA SEQUENCE DTDRNLSVDV YYDPMGNPLD KGSDSVWNFH VWNEGWFVRS DLGPSYGGWQ DATA SEQUENCE VLDATPQERS QGVFQCGPAS VIGVREGDVQ LNFDMPFIFA EVNADRITWL DATA SEQUENCE YDNTTGKQWK NSVNSHTIGR YISTKAVGSN ARMDVTDKYK YPEGSDQERQ DATA SEQUENCE VFQKALGKLK PXXXXXXXXX XXXXXXXXEP SIIGKLKVAG MLAVGKEVNL DATA SEQUENCE VLLLKNLSRD TKTVTVNMTA WTIIYNGTLV HEVWKDSATM SLDPEEEAEH DATA SEQUENCE PIKISYAQYE RYLKSDNMIR ITAVCKVPDE SEVVVERDII LDNPTLTLEV DATA SEQUENCE LNEARVRKPV NVQMLFSNPL DEPVRDCVLM VEGSGLLLGN LKIDVPTLGP DATA SEQUENCE KERSRVRFDI LPSRSGTKQL LADFSCNKFP AIKAMLSIDV AE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.577 177.584 -0.012 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 1 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 2 A N 0.477 123.288 122.820 -0.015 0.000 2.366 2 A HA 0.563 4.885 4.320 0.004 0.000 0.249 2 A C 0.275 177.847 177.584 -0.020 0.000 1.084 2 A CA -0.097 51.930 52.037 -0.017 0.000 0.794 2 A CB 0.027 19.014 19.000 -0.023 0.000 1.034 2 A HN 2.071 nan 8.150 nan 0.000 0.491 3 L N 1.447 122.659 121.223 -0.018 0.000 2.455 3 L HA 0.511 4.854 4.340 0.004 0.000 0.272 3 L C 0.514 177.362 176.870 -0.036 0.000 1.174 3 L CA 1.447 56.274 54.840 -0.022 0.000 0.869 3 L CB 0.147 42.197 42.059 -0.015 0.000 1.130 3 L HN 0.850 nan 8.230 nan 0.000 0.474 4 G N 3.900 112.677 108.800 -0.038 0.000 2.704 4 G HA2 0.549 4.511 3.960 0.004 0.000 0.293 4 G HA3 0.549 4.511 3.960 0.004 0.000 0.293 4 G C -1.391 173.481 174.900 -0.047 0.000 1.421 4 G CA -0.212 44.860 45.100 -0.047 0.000 0.870 4 G HN 0.851 nan 8.290 nan 0.000 0.492 5 V N -0.393 119.488 119.914 -0.055 0.000 2.498 5 V HA 0.462 4.584 4.120 0.004 0.000 0.279 5 V C 0.799 176.871 176.094 -0.038 0.000 1.048 5 V CA -0.338 61.930 62.300 -0.053 0.000 0.967 5 V CB 1.367 33.149 31.823 -0.068 0.000 0.988 5 V HN 0.840 nan 8.190 nan 0.000 0.473 6 Q N 3.053 122.832 119.800 -0.034 0.000 2.297 6 Q HA 0.222 4.565 4.340 0.004 0.000 0.203 6 Q C 0.701 176.689 176.000 -0.020 0.000 0.931 6 Q CA 1.091 56.880 55.803 -0.023 0.000 0.885 6 Q CB 0.768 29.494 28.738 -0.021 0.000 0.991 6 Q HN 1.068 nan 8.270 nan 0.000 0.498 7 S N -1.044 114.636 115.700 -0.033 0.000 2.595 7 S HA 0.524 4.996 4.470 0.004 0.000 0.270 7 S C -1.480 173.071 174.600 -0.082 0.000 1.145 7 S CA -1.009 57.170 58.200 -0.034 0.000 0.825 7 S CB 1.276 64.464 63.200 -0.019 0.000 1.107 7 S HN 0.210 nan 8.310 nan 0.000 0.461 8 I N 1.693 122.192 120.570 -0.119 0.000 2.533 8 I HA 0.551 4.723 4.170 0.004 0.000 0.290 8 I C -1.583 174.350 176.117 -0.306 0.000 1.056 8 I CA -0.575 60.555 61.300 -0.283 0.000 1.057 8 I CB 1.880 39.583 38.000 -0.495 0.000 1.240 8 I HN 0.826 nan 8.210 nan 0.000 0.423 9 N N 6.591 125.127 118.700 -0.275 0.000 2.501 9 N HA 0.212 4.954 4.740 0.004 0.000 0.245 9 N C -0.320 175.109 175.510 -0.135 0.000 0.974 9 N CA -0.414 52.559 53.050 -0.129 0.000 0.941 9 N CB 0.581 39.035 38.487 -0.056 0.000 1.122 9 N HN 0.633 nan 8.380 nan 0.000 0.507 10 W N 1.848 123.197 121.300 0.082 0.000 3.077 10 W HA 0.109 4.772 4.660 0.006 0.000 0.245 10 W C 0.659 177.243 176.519 0.107 0.000 1.316 10 W CA -0.231 57.176 57.345 0.102 0.000 1.537 10 W CB -0.179 29.335 29.460 0.090 0.000 1.131 10 W HN 0.500 nan 8.180 nan 0.000 0.695 11 Q N -0.125 119.828 119.800 0.255 0.000 2.406 11 Q HA -0.269 4.074 4.340 0.004 0.000 0.339 11 Q C 1.023 177.183 176.000 0.267 0.000 1.337 11 Q CA 0.819 56.756 55.803 0.223 0.000 0.985 11 Q CB -1.852 27.001 28.738 0.191 0.000 1.216 11 Q HN 0.279 nan 8.270 nan 0.000 0.415 12 T N -0.468 114.221 114.554 0.225 0.000 2.684 12 T HA -0.245 4.107 4.350 0.004 0.000 0.267 12 T C 1.855 176.618 174.700 0.104 0.000 1.036 12 T CA 1.581 63.767 62.100 0.144 0.000 1.148 12 T CB -0.147 68.788 68.868 0.111 0.000 0.863 12 T HN 0.680 nan 8.240 nan 0.000 0.436 13 A N 1.119 124.012 122.820 0.121 0.000 1.865 13 A HA -0.075 4.248 4.320 0.004 0.000 0.217 13 A C 2.060 179.708 177.584 0.106 0.000 1.191 13 A CA 1.756 53.850 52.037 0.096 0.000 0.623 13 A CB -1.130 17.930 19.000 0.101 0.000 0.826 13 A HN 0.514 nan 8.150 nan 0.000 0.444 14 F N 1.324 121.288 119.950 0.022 0.000 2.069 14 F HA -0.248 4.282 4.527 0.005 0.000 0.298 14 F C 2.203 178.011 175.800 0.013 0.000 1.113 14 F CA 2.260 60.271 58.000 0.018 0.000 1.214 14 F CB -0.204 38.815 39.000 0.031 0.000 0.978 14 F HN 0.216 nan 8.300 nan 0.000 0.474 15 N N 0.602 119.296 118.700 -0.009 0.000 2.142 15 N HA -0.134 4.608 4.740 0.004 0.000 0.186 15 N C 1.920 177.309 175.510 -0.203 0.000 1.023 15 N CA 1.358 54.319 53.050 -0.148 0.000 0.852 15 N CB -0.460 38.015 38.487 -0.020 0.000 0.998 15 N HN 0.397 nan 8.380 nan 0.000 0.424 16 R N 0.655 121.073 120.500 -0.135 0.000 2.120 16 R HA -0.119 4.224 4.340 0.004 0.000 0.234 16 R C 2.155 178.369 176.300 -0.143 0.000 1.123 16 R CA 0.977 57.013 56.100 -0.107 0.000 0.975 16 R CB -0.121 30.160 30.300 -0.032 0.000 0.866 16 R HN 0.202 nan 8.270 nan 0.000 0.446 17 Q N 0.864 120.555 119.800 -0.181 0.000 2.046 17 Q HA -0.076 4.266 4.340 0.004 0.000 0.200 17 Q C 1.928 177.683 176.000 -0.408 0.000 0.975 17 Q CA 2.051 57.715 55.803 -0.231 0.000 0.836 17 Q CB -0.253 28.378 28.738 -0.178 0.000 0.896 17 Q HN 0.298 nan 8.270 nan 0.000 0.428 18 A N -0.310 122.248 122.820 -0.437 0.000 1.933 18 A HA -0.176 4.146 4.320 0.004 0.000 0.218 18 A C 1.657 178.848 177.584 -0.656 0.000 1.175 18 A CA 1.557 53.293 52.037 -0.501 0.000 0.628 18 A CB -0.843 17.906 19.000 -0.419 0.000 0.814 18 A HN 0.631 nan 8.150 nan 0.000 0.444 19 H N -1.506 117.221 119.070 -0.572 0.000 2.539 19 H HA 0.032 4.590 4.556 0.003 0.000 0.267 19 H C -0.422 174.594 175.328 -0.520 0.000 0.982 19 H CA 0.347 56.120 56.048 -0.457 0.000 1.146 19 H CB 0.004 29.638 29.762 -0.213 0.000 1.382 19 H HN 0.667 nan 8.280 nan 0.000 0.577 20 H N 0.322 119.197 119.070 -0.325 0.000 2.756 20 H HA -0.118 4.441 4.556 0.004 0.000 0.315 20 H C 0.653 175.906 175.328 -0.124 0.000 1.210 20 H CA 1.156 56.955 56.048 -0.415 0.000 1.150 20 H CB -2.265 26.791 29.762 -1.176 0.000 1.463 20 H HN 0.532 nan 8.280 nan 0.000 0.427 21 T N -3.582 111.011 114.554 0.066 0.000 3.209 21 T HA 0.013 4.366 4.350 0.004 0.000 0.295 21 T C 1.141 175.984 174.700 0.238 0.000 0.977 21 T CA 0.149 62.434 62.100 0.308 0.000 0.922 21 T CB 0.461 69.521 68.868 0.319 0.000 1.152 21 T HN 0.407 nan 8.240 nan 0.000 0.527 22 D N 1.802 122.223 120.400 0.034 0.000 2.348 22 D HA -0.074 4.568 4.640 0.004 0.000 0.216 22 D C 1.444 177.695 176.300 -0.081 0.000 0.970 22 D CA 0.282 54.278 54.000 -0.007 0.000 0.889 22 D CB 0.055 40.823 40.800 -0.054 0.000 0.912 22 D HN 0.371 nan 8.370 nan 0.000 0.524 23 K N -0.080 120.153 120.400 -0.277 0.000 2.365 23 K HA 0.047 4.370 4.320 0.004 0.000 0.197 23 K C 0.324 176.720 176.600 -0.340 0.000 1.042 23 K CA -0.076 55.864 56.287 -0.579 0.000 0.987 23 K CB 0.000 31.648 32.500 -1.421 0.000 0.779 23 K HN 0.143 nan 8.250 nan 0.000 0.484 24 F N 1.820 121.848 119.950 0.130 0.000 2.543 24 F HA -0.040 4.487 4.527 -0.001 0.000 0.375 24 F C 1.264 177.151 175.800 0.146 0.000 1.075 24 F CA -0.088 58.082 58.000 0.283 0.000 1.225 24 F CB 0.602 39.752 39.000 0.250 0.000 1.099 24 F HN -0.172 nan 8.300 nan 0.000 0.561 25 S N 3.535 119.430 115.700 0.326 0.000 3.065 25 S HA 0.339 4.812 4.470 0.004 0.000 0.311 25 S C -0.226 174.484 174.600 0.182 0.000 1.204 25 S CA -0.067 58.251 58.200 0.196 0.000 1.040 25 S CB -0.468 62.829 63.200 0.163 0.000 1.436 25 S HN 0.672 nan 8.310 nan 0.000 0.532 26 S N 3.008 118.801 115.700 0.155 0.000 2.567 26 S HA 0.383 4.855 4.470 0.004 0.000 0.270 26 S C -0.191 174.455 174.600 0.076 0.000 1.152 26 S CA -0.605 57.659 58.200 0.106 0.000 0.835 26 S CB 1.212 64.474 63.200 0.104 0.000 1.115 26 S HN 0.568 nan 8.310 nan 0.000 0.459 27 Q N 0.891 120.718 119.800 0.045 0.000 2.352 27 Q HA 0.253 4.595 4.340 0.004 0.000 0.212 27 Q C -0.139 175.866 176.000 0.008 0.000 0.888 27 Q CA 0.293 56.116 55.803 0.033 0.000 0.934 27 Q CB 0.273 29.028 28.738 0.028 0.000 1.093 27 Q HN 0.689 nan 8.270 nan 0.000 0.523 28 E N 0.983 121.178 120.200 -0.009 0.000 2.409 28 E HA 0.087 4.439 4.350 0.004 0.000 0.257 28 E C -0.400 176.162 176.600 -0.063 0.000 1.150 28 E CA -0.365 56.004 56.400 -0.052 0.000 0.942 28 E CB 0.771 30.434 29.700 -0.062 0.000 0.979 28 E HN -0.091 nan 8.360 nan 0.000 0.447 29 L N 3.042 124.192 121.223 -0.122 0.000 2.295 29 L HA 0.260 4.603 4.340 0.004 0.000 0.288 29 L C -1.000 175.798 176.870 -0.121 0.000 1.079 29 L CA 0.446 55.198 54.840 -0.147 0.000 0.830 29 L CB -0.123 41.770 42.059 -0.276 0.000 1.200 29 L HN 0.346 nan 8.230 nan 0.000 0.438 30 I N 6.514 127.022 120.570 -0.104 0.000 2.339 30 I HA 0.383 4.555 4.170 0.004 0.000 0.290 30 I C -0.378 175.663 176.117 -0.127 0.000 0.994 30 I CA -0.334 60.914 61.300 -0.086 0.000 1.191 30 I CB 1.036 39.001 38.000 -0.059 0.000 1.343 30 I HN 0.521 nan 8.210 nan 0.000 0.458 31 L N 6.083 127.231 121.223 -0.126 0.000 2.283 31 L HA 0.667 5.010 4.340 0.004 0.000 0.259 31 L C -0.379 176.550 176.870 0.100 0.000 1.027 31 L CA -0.989 53.754 54.840 -0.161 0.000 0.828 31 L CB 2.019 43.767 42.059 -0.519 0.000 1.380 31 L HN 0.482 nan 8.230 nan 0.000 0.425 32 R N 0.401 121.094 120.500 0.322 0.000 2.670 32 R HA 0.463 4.806 4.340 0.004 0.000 0.289 32 R C -0.874 175.509 176.300 0.139 0.000 0.965 32 R CA -0.979 55.254 56.100 0.222 0.000 0.899 32 R CB 2.278 32.727 30.300 0.248 0.000 1.173 32 R HN 0.591 nan 8.270 nan 0.000 0.456 33 R N 0.349 120.890 120.500 0.067 0.000 2.784 33 R HA 0.187 4.529 4.340 0.004 0.000 0.266 33 R C 0.482 176.765 176.300 -0.028 0.000 1.044 33 R CA 0.574 56.658 56.100 -0.027 0.000 1.151 33 R CB 0.088 30.365 30.300 -0.038 0.000 1.037 33 R HN 0.793 nan 8.270 nan 0.000 0.478 34 G N 0.028 108.752 108.800 -0.127 0.000 2.168 34 G HA2 -0.359 3.603 3.960 0.004 0.000 0.257 34 G HA3 -0.359 3.603 3.960 0.004 0.000 0.257 34 G C -0.124 174.727 174.900 -0.082 0.000 0.997 34 G CA 0.792 45.825 45.100 -0.112 0.000 0.708 34 G HN 0.764 nan 8.290 nan 0.000 0.520 35 Q N -0.284 119.480 119.800 -0.060 0.000 2.347 35 Q HA 0.405 4.748 4.340 0.004 0.000 0.271 35 Q C 0.132 176.190 176.000 0.095 0.000 1.064 35 Q CA -0.789 54.971 55.803 -0.073 0.000 0.800 35 Q CB 0.986 29.540 28.738 -0.307 0.000 1.304 35 Q HN 0.517 nan 8.270 nan 0.000 0.438 36 N N 2.146 120.884 118.700 0.063 0.000 2.415 36 N HA 0.324 5.066 4.740 0.004 0.000 0.248 36 N C -0.971 174.772 175.510 0.389 0.000 1.271 36 N CA 0.191 53.306 53.050 0.109 0.000 0.913 36 N CB 0.448 38.938 38.487 0.004 0.000 1.129 36 N HN 0.313 nan 8.380 nan 0.000 0.444 37 F N -1.672 118.341 119.950 0.105 0.000 2.591 37 F HA 0.367 4.897 4.527 0.005 0.000 0.309 37 F C -0.744 175.109 175.800 0.087 0.000 1.098 37 F CA -1.189 56.870 58.000 0.098 0.000 0.937 37 F CB 1.256 40.210 39.000 -0.077 0.000 1.250 37 F HN 0.286 nan 8.300 nan 0.000 0.447 38 Q N 2.930 122.885 119.800 0.258 0.000 2.293 38 Q HA 0.745 5.087 4.340 0.004 0.000 0.261 38 Q C -1.349 174.737 176.000 0.143 0.000 0.960 38 Q CA -0.945 54.932 55.803 0.124 0.000 0.882 38 Q CB 2.311 31.146 28.738 0.161 0.000 1.275 38 Q HN 0.926 nan 8.270 nan 0.000 0.445 39 V N 1.445 121.370 119.914 0.019 0.000 3.040 39 V HA 0.666 4.788 4.120 0.004 0.000 0.312 39 V C -1.155 174.889 176.094 -0.083 0.000 1.115 39 V CA -1.024 61.262 62.300 -0.023 0.000 0.998 39 V CB 1.930 33.683 31.823 -0.115 0.000 1.042 39 V HN 0.753 nan 8.190 nan 0.000 0.433 40 L N 3.387 124.542 121.223 -0.114 0.000 2.325 40 L HA 0.636 4.979 4.340 0.004 0.000 0.281 40 L C -0.421 176.372 176.870 -0.128 0.000 1.004 40 L CA -0.387 54.394 54.840 -0.099 0.000 0.823 40 L CB 1.789 43.799 42.059 -0.082 0.000 1.236 40 L HN 0.682 nan 8.230 nan 0.000 0.415 41 M N 4.717 124.262 119.600 -0.091 0.000 2.043 41 M HA 0.472 4.954 4.480 0.004 0.000 0.322 41 M C -0.754 175.508 176.300 -0.063 0.000 0.962 41 M CA -0.389 54.856 55.300 -0.092 0.000 0.927 41 M CB 1.260 33.825 32.600 -0.058 0.000 1.466 41 M HN 0.471 nan 8.290 nan 0.000 0.412 42 I N 6.125 126.656 120.570 -0.065 0.000 2.322 42 I HA 0.153 4.325 4.170 0.004 0.000 0.292 42 I C -0.045 176.047 176.117 -0.041 0.000 1.060 42 I CA -0.312 60.960 61.300 -0.046 0.000 1.309 42 I CB 0.567 38.543 38.000 -0.040 0.000 1.415 42 I HN 0.598 nan 8.210 nan 0.000 0.492 43 M N 5.367 124.946 119.600 -0.035 0.000 2.369 43 M HA 0.191 4.673 4.480 0.004 0.000 0.291 43 M C 1.234 177.519 176.300 -0.026 0.000 1.178 43 M CA -0.469 54.812 55.300 -0.033 0.000 0.996 43 M CB 0.401 32.983 32.600 -0.030 0.000 1.472 43 M HN 0.517 nan 8.290 nan 0.000 0.496 44 N N 0.590 119.276 118.700 -0.024 0.000 2.463 44 N HA -0.035 4.708 4.740 0.004 0.000 0.181 44 N C -0.208 175.292 175.510 -0.016 0.000 1.078 44 N CA 0.442 53.480 53.050 -0.019 0.000 0.902 44 N CB 0.352 38.828 38.487 -0.019 0.000 0.970 44 N HN 0.756 nan 8.380 nan 0.000 0.451 45 K N -2.423 117.967 120.400 -0.016 0.000 2.499 45 K HA 0.569 4.892 4.320 0.004 0.000 0.284 45 K C -0.391 176.201 176.600 -0.012 0.000 1.039 45 K CA -0.967 55.313 56.287 -0.013 0.000 0.873 45 K CB 0.304 32.797 32.500 -0.011 0.000 1.545 45 K HN -0.134 nan 8.250 nan 0.000 0.402 46 G N 0.679 109.473 108.800 -0.009 0.000 2.503 46 G HA2 0.314 4.277 3.960 0.004 0.000 0.257 46 G HA3 0.314 4.277 3.960 0.004 0.000 0.257 46 G C -0.544 174.353 174.900 -0.005 0.000 1.214 46 G CA -0.916 44.180 45.100 -0.007 0.000 0.839 46 G HN 0.469 nan 8.290 nan 0.000 0.559 47 L N 2.307 123.528 121.223 -0.003 0.000 2.456 47 L HA 0.260 4.602 4.340 0.004 0.000 0.277 47 L C 1.260 178.132 176.870 0.003 0.000 1.124 47 L CA -0.433 54.408 54.840 0.001 0.000 0.880 47 L CB -0.302 41.761 42.059 0.005 0.000 1.192 47 L HN 0.595 nan 8.230 nan 0.000 0.463 48 G N 2.094 110.897 108.800 0.004 0.000 2.491 48 G HA2 0.008 3.970 3.960 0.004 0.000 0.242 48 G HA3 0.008 3.970 3.960 0.004 0.000 0.242 48 G C 0.913 175.817 174.900 0.006 0.000 1.266 48 G CA 0.171 45.274 45.100 0.005 0.000 0.844 48 G HN 0.768 nan 8.290 nan 0.000 0.571 49 S N 1.140 116.842 115.700 0.003 0.000 2.383 49 S HA -0.203 4.270 4.470 0.004 0.000 0.229 49 S C 1.934 176.534 174.600 -0.000 0.000 1.030 49 S CA 1.822 60.023 58.200 0.001 0.000 1.002 49 S CB -0.206 62.994 63.200 0.000 0.000 0.829 49 S HN 0.657 nan 8.310 nan 0.000 0.467 50 N N 0.898 119.599 118.700 0.002 0.000 2.314 50 N HA 0.146 4.889 4.740 0.004 0.000 0.200 50 N C -0.320 175.195 175.510 0.008 0.000 1.135 50 N CA -0.062 52.988 53.050 0.000 0.000 0.835 50 N CB 0.288 38.777 38.487 0.003 0.000 0.989 50 N HN 0.540 nan 8.380 nan 0.000 0.478 51 E N -0.122 120.086 120.200 0.014 0.000 2.232 51 E HA 0.382 4.735 4.350 0.004 0.000 0.265 51 E C -0.519 176.098 176.600 0.028 0.000 1.001 51 E CA -0.817 55.604 56.400 0.035 0.000 0.870 51 E CB 2.089 31.809 29.700 0.034 0.000 1.175 51 E HN 0.063 nan 8.360 nan 0.000 0.407 52 R N 1.479 122.021 120.500 0.071 0.000 2.740 52 R HA 0.464 4.807 4.340 0.004 0.000 0.273 52 R C -1.770 174.604 176.300 0.123 0.000 0.998 52 R CA -0.571 55.561 56.100 0.053 0.000 0.900 52 R CB 1.137 31.386 30.300 -0.085 0.000 1.223 52 R HN 0.462 nan 8.270 nan 0.000 0.466 53 L N 2.926 124.183 121.223 0.056 0.000 2.356 53 L HA 0.505 4.848 4.340 0.004 0.000 0.277 53 L C -0.515 176.327 176.870 -0.046 0.000 0.996 53 L CA -0.814 54.003 54.840 -0.038 0.000 0.822 53 L CB 2.098 44.083 42.059 -0.123 0.000 1.256 53 L HN 0.536 nan 8.230 nan 0.000 0.413 54 E N 3.319 123.457 120.200 -0.104 0.000 2.182 54 E HA 0.374 4.726 4.350 0.004 0.000 0.258 54 E C -1.184 175.232 176.600 -0.308 0.000 0.879 54 E CA -0.516 55.835 56.400 -0.081 0.000 0.754 54 E CB 2.094 31.854 29.700 0.100 0.000 1.162 54 E HN 0.236 nan 8.360 nan 0.000 0.419 55 F N 2.396 122.072 119.950 -0.456 0.000 2.389 55 F HA 0.350 4.879 4.527 0.004 0.000 0.337 55 F C 0.810 176.266 175.800 -0.574 0.000 1.112 55 F CA -0.231 57.397 58.000 -0.619 0.000 1.192 55 F CB 0.678 39.031 39.000 -1.078 0.000 1.185 55 F HN 0.256 nan 8.300 nan 0.000 0.552 56 I N 3.764 124.267 120.570 -0.112 0.000 2.468 56 I HA 0.370 4.543 4.170 0.004 0.000 0.285 56 I C -1.106 175.054 176.117 0.071 0.000 1.039 56 I CA -0.976 60.309 61.300 -0.024 0.000 1.074 56 I CB 1.674 39.664 38.000 -0.016 0.000 1.228 56 I HN 0.314 nan 8.210 nan 0.000 0.436 57 V N 2.832 122.779 119.914 0.055 0.000 2.628 57 V HA 0.963 5.086 4.120 0.004 0.000 0.306 57 V C -0.119 176.013 176.094 0.063 0.000 1.045 57 V CA -0.374 61.969 62.300 0.071 0.000 0.905 57 V CB 1.613 33.320 31.823 -0.193 0.000 0.997 57 V HN 0.821 nan 8.190 nan 0.000 0.436 58 S N 1.573 117.346 115.700 0.122 0.000 2.537 58 S HA 0.783 5.255 4.470 0.004 0.000 0.271 58 S C -0.663 173.790 174.600 -0.245 0.000 1.148 58 S CA -0.342 57.851 58.200 -0.012 0.000 0.868 58 S CB 1.788 64.973 63.200 -0.026 0.000 1.115 58 S HN 1.491 nan 8.310 nan 0.000 0.461 59 T N 0.412 114.720 114.554 -0.409 0.000 2.909 59 T HA 0.777 5.129 4.350 0.004 0.000 0.299 59 T C 0.204 174.743 174.700 -0.268 0.000 1.073 59 T CA 0.950 62.714 62.100 -0.559 0.000 0.999 59 T CB 0.756 68.923 68.868 -1.168 0.000 1.098 59 T HN 2.556 nan 8.240 nan 0.000 0.477 60 G N 4.544 113.233 108.800 -0.185 0.000 2.756 60 G HA2 -0.084 3.879 3.960 0.004 0.000 0.678 60 G HA3 -0.084 3.879 3.960 0.004 0.000 0.678 60 G C -1.779 173.063 174.900 -0.096 0.000 1.349 60 G CA -0.186 44.881 45.100 -0.055 0.000 0.847 60 G HN 0.651 nan 8.290 nan 0.000 0.548 61 P HA 0.012 nan 4.420 nan 0.000 0.223 61 P C 0.064 176.969 177.300 -0.659 0.000 1.151 61 P CA 1.424 64.266 63.100 -0.429 0.000 0.787 61 P CB 0.079 31.441 31.700 -0.563 0.000 0.788 62 Y N -0.143 120.135 120.300 -0.036 0.000 2.511 62 Y HA 0.417 4.969 4.550 0.003 0.000 0.356 62 Y C -2.355 173.525 175.900 -0.033 0.000 1.002 62 Y CA -3.044 55.033 58.100 -0.038 0.000 1.127 62 Y CB 0.008 38.438 38.460 -0.049 0.000 1.137 62 Y HN -0.084 nan 8.280 nan 0.000 0.652 63 P HA -0.044 nan 4.420 nan 0.000 0.258 63 P C -0.023 177.311 177.300 0.057 0.000 1.172 63 P CA 0.645 63.762 63.100 0.028 0.000 0.762 63 P CB 0.714 32.412 31.700 -0.004 0.000 0.764 64 S N 2.419 118.154 115.700 0.058 0.000 2.707 64 S HA 0.229 4.701 4.470 0.004 0.000 0.303 64 S C 0.932 175.571 174.600 0.065 0.000 1.132 64 S CA -0.579 57.656 58.200 0.058 0.000 1.046 64 S CB 0.711 63.941 63.200 0.051 0.000 1.004 64 S HN 0.208 nan 8.310 nan 0.000 0.483 65 E N 2.437 122.676 120.200 0.066 0.000 2.097 65 E HA -0.101 4.251 4.350 0.004 0.000 0.196 65 E C 1.827 178.475 176.600 0.081 0.000 1.000 65 E CA 1.965 58.413 56.400 0.081 0.000 0.804 65 E CB -0.066 29.680 29.700 0.077 0.000 0.740 65 E HN 0.624 nan 8.360 nan 0.000 0.454 66 S N 0.013 115.750 115.700 0.062 0.000 2.399 66 S HA -0.086 4.386 4.470 0.004 0.000 0.231 66 S C 1.801 176.434 174.600 0.055 0.000 1.022 66 S CA 0.962 59.194 58.200 0.053 0.000 0.983 66 S CB -0.035 63.186 63.200 0.035 0.000 0.803 66 S HN 0.390 nan 8.310 nan 0.000 0.480 67 A N 0.152 123.005 122.820 0.055 0.000 2.345 67 A HA 0.501 4.823 4.320 0.004 0.000 0.225 67 A C 0.979 178.613 177.584 0.082 0.000 1.243 67 A CA -0.059 52.009 52.037 0.052 0.000 0.875 67 A CB -0.566 18.454 19.000 0.034 0.000 0.929 67 A HN 0.380 nan 8.150 nan 0.000 0.502 68 M N -1.599 118.071 119.600 0.116 0.000 2.908 68 M HA -0.194 4.289 4.480 0.004 0.000 0.191 68 M C 1.076 177.500 176.300 0.208 0.000 0.619 68 M CA 1.382 56.791 55.300 0.182 0.000 0.709 68 M CB -2.301 30.410 32.600 0.185 0.000 2.554 68 M HN 0.636 nan 8.290 nan 0.000 0.356 69 T N -2.345 112.287 114.554 0.129 0.000 3.163 69 T HA 0.365 4.717 4.350 0.004 0.000 0.252 69 T C 0.162 174.899 174.700 0.063 0.000 1.056 69 T CA 0.102 62.253 62.100 0.085 0.000 0.947 69 T CB 0.517 69.401 68.868 0.027 0.000 1.016 69 T HN 0.488 nan 8.240 nan 0.000 0.554 70 K N 0.053 120.510 120.400 0.094 0.000 2.572 70 K HA 0.630 4.952 4.320 0.004 0.000 0.263 70 K C -2.254 174.377 176.600 0.051 0.000 0.932 70 K CA -0.711 55.608 56.287 0.054 0.000 0.838 70 K CB 2.095 34.621 32.500 0.045 0.000 1.366 70 K HN 0.143 nan 8.250 nan 0.000 0.425 71 A N 2.364 125.178 122.820 -0.011 0.000 2.488 71 A HA 0.624 4.947 4.320 0.004 0.000 0.298 71 A C -1.695 175.991 177.584 0.169 0.000 1.044 71 A CA -0.627 51.432 52.037 0.037 0.000 0.693 71 A CB 1.882 20.741 19.000 -0.234 0.000 1.272 71 A HN 0.271 nan 8.150 nan 0.000 0.402 72 V N 2.864 122.928 119.914 0.250 0.000 2.407 72 V HA 0.714 4.837 4.120 0.004 0.000 0.291 72 V C -1.158 175.153 176.094 0.362 0.000 1.018 72 V CA -0.330 62.097 62.300 0.212 0.000 0.842 72 V CB 0.580 32.478 31.823 0.124 0.000 0.996 72 V HN 0.882 nan 8.190 nan 0.000 0.426 73 F N 4.920 124.964 119.950 0.157 0.000 2.578 73 F HA 0.908 5.437 4.527 0.004 0.000 0.311 73 F C -3.011 172.928 175.800 0.231 0.000 1.094 73 F CA -3.204 54.902 58.000 0.177 0.000 0.923 73 F CB 1.782 40.895 39.000 0.189 0.000 1.230 73 F HN 0.265 nan 8.300 nan 0.000 0.450 74 P HA 0.229 nan 4.420 nan 0.000 0.281 74 P C -0.856 176.598 177.300 0.257 0.000 1.249 74 P CA -0.445 62.770 63.100 0.191 0.000 0.810 74 P CB 2.338 34.105 31.700 0.112 0.000 1.008 75 L N 1.998 123.370 121.223 0.249 0.000 2.433 75 L HA 0.119 4.462 4.340 0.004 0.000 0.275 75 L C 0.261 177.214 176.870 0.138 0.000 1.128 75 L CA 0.528 55.517 54.840 0.249 0.000 0.875 75 L CB 0.177 42.395 42.059 0.266 0.000 1.171 75 L HN 0.516 nan 8.230 nan 0.000 0.463 76 S N 3.459 119.226 115.700 0.112 0.000 2.894 76 S HA 0.447 4.919 4.470 0.004 0.000 0.298 76 S C 0.335 174.962 174.600 0.045 0.000 1.054 76 S CA -0.720 57.522 58.200 0.071 0.000 0.903 76 S CB 1.373 64.616 63.200 0.071 0.000 1.356 76 S HN 0.739 nan 8.310 nan 0.000 0.626 77 N N -0.563 118.155 118.700 0.031 0.000 2.129 77 N HA 0.195 4.937 4.740 0.004 0.000 0.222 77 N C 0.093 175.610 175.510 0.012 0.000 1.303 77 N CA -0.085 52.976 53.050 0.017 0.000 0.897 77 N CB 0.952 39.448 38.487 0.014 0.000 1.093 77 N HN 0.560 nan 8.380 nan 0.000 0.501 78 G N 0.645 109.455 108.800 0.017 0.000 2.372 78 G HA2 0.284 4.246 3.960 0.004 0.000 0.323 78 G HA3 0.284 4.246 3.960 0.004 0.000 0.323 78 G C -0.628 174.277 174.900 0.009 0.000 1.152 78 G CA -0.122 44.984 45.100 0.011 0.000 0.906 78 G HN -0.060 nan 8.290 nan 0.000 0.460 79 S N 1.433 117.131 115.700 -0.003 0.000 2.481 79 S HA 0.383 4.855 4.470 0.004 0.000 0.282 79 S C 0.772 175.364 174.600 -0.014 0.000 1.243 79 S CA -0.240 57.951 58.200 -0.015 0.000 1.078 79 S CB 0.427 63.611 63.200 -0.027 0.000 0.916 79 S HN 0.717 nan 8.310 nan 0.000 0.495 80 S N 3.392 119.083 115.700 -0.015 0.000 2.690 80 S HA 0.737 5.210 4.470 0.004 0.000 0.291 80 S C 1.117 175.689 174.600 -0.046 0.000 1.138 80 S CA -0.242 57.951 58.200 -0.012 0.000 1.013 80 S CB 0.989 64.201 63.200 0.020 0.000 1.053 80 S HN 0.886 nan 8.310 nan 0.000 0.539 81 G N 1.365 110.141 108.800 -0.039 0.000 2.937 81 G HA2 0.271 4.233 3.960 0.004 0.000 0.160 81 G HA3 0.271 4.233 3.960 0.004 0.000 0.160 81 G C 0.724 175.557 174.900 -0.112 0.000 1.863 81 G CA 0.061 45.121 45.100 -0.067 0.000 0.941 81 G HN 1.140 nan 8.290 nan 0.000 0.419 82 G N -0.679 108.070 108.800 -0.085 0.000 2.326 82 G HA2 0.224 4.186 3.960 0.004 0.000 0.286 82 G HA3 0.224 4.186 3.960 0.004 0.000 0.286 82 G C -0.407 174.460 174.900 -0.055 0.000 0.927 82 G CA 0.093 45.124 45.100 -0.115 0.000 1.553 82 G HN 0.599 nan 8.290 nan 0.000 0.415 83 W N -0.107 121.019 121.300 -0.290 0.000 3.081 83 W HA -0.093 4.569 4.660 0.003 0.000 0.454 83 W C 0.637 176.647 176.519 -0.849 0.000 1.851 83 W CA 0.672 57.603 57.345 -0.689 0.000 0.460 83 W CB -1.479 27.544 29.460 -0.729 0.000 2.859 83 W HN 1.178 nan 8.180 nan 0.000 0.418 84 S N 1.307 116.657 115.700 -0.583 0.000 2.596 84 S HA 0.980 5.452 4.470 0.004 0.000 0.270 84 S C -0.809 173.793 174.600 0.005 0.000 1.155 84 S CA -0.788 57.299 58.200 -0.189 0.000 0.827 84 S CB 2.321 65.474 63.200 -0.079 0.000 1.130 84 S HN 1.519 nan 8.310 nan 0.000 0.467 85 A N 1.032 123.962 122.820 0.185 0.000 2.375 85 A HA 0.749 5.072 4.320 0.004 0.000 0.295 85 A C -1.223 176.369 177.584 0.014 0.000 1.066 85 A CA -0.707 51.334 52.037 0.005 0.000 0.722 85 A CB 1.442 20.348 19.000 -0.156 0.000 1.206 85 A HN 1.137 nan 8.150 nan 0.000 0.435 86 V N 3.073 122.960 119.914 -0.044 0.000 2.448 86 V HA 0.369 4.492 4.120 0.004 0.000 0.295 86 V C -0.425 175.659 176.094 -0.017 0.000 1.025 86 V CA -0.574 61.718 62.300 -0.014 0.000 0.859 86 V CB 1.553 33.361 31.823 -0.025 0.000 0.988 86 V HN 0.835 nan 8.190 nan 0.000 0.431 87 L N 5.215 126.444 121.223 0.011 0.000 2.342 87 L HA 0.297 4.639 4.340 0.004 0.000 0.285 87 L C 1.202 178.071 176.870 -0.002 0.000 1.095 87 L CA 0.866 55.713 54.840 0.011 0.000 0.843 87 L CB 0.705 42.780 42.059 0.027 0.000 1.201 87 L HN 0.736 nan 8.230 nan 0.000 0.445 88 Q N 3.992 123.784 119.800 -0.013 0.000 2.212 88 Q HA 0.347 4.689 4.340 0.004 0.000 0.199 88 Q C 0.160 176.153 176.000 -0.013 0.000 0.950 88 Q CA 0.867 56.661 55.803 -0.014 0.000 0.863 88 Q CB 0.271 28.997 28.738 -0.020 0.000 0.944 88 Q HN 0.792 nan 8.270 nan 0.000 0.465 89 A N -0.092 122.719 122.820 -0.014 0.000 2.608 89 A HA 0.615 4.938 4.320 0.004 0.000 0.292 89 A C -1.331 176.245 177.584 -0.013 0.000 1.066 89 A CA -0.642 51.386 52.037 -0.014 0.000 0.676 89 A CB 1.839 20.827 19.000 -0.021 0.000 1.277 89 A HN -0.035 nan 8.150 nan 0.000 0.413 90 S N 1.491 117.184 115.700 -0.012 0.000 2.672 90 S HA 0.601 5.073 4.470 0.004 0.000 0.291 90 S C -1.171 173.421 174.600 -0.013 0.000 1.145 90 S CA -0.705 57.488 58.200 -0.011 0.000 1.013 90 S CB 0.993 64.189 63.200 -0.006 0.000 1.017 90 S HN 0.565 nan 8.310 nan 0.000 0.487 91 N N 2.247 120.937 118.700 -0.017 0.000 2.540 91 N HA 0.474 5.216 4.740 0.004 0.000 0.275 91 N C 0.642 176.142 175.510 -0.016 0.000 1.053 91 N CA 0.065 53.105 53.050 -0.017 0.000 0.876 91 N CB 1.763 40.237 38.487 -0.021 0.000 1.284 91 N HN 0.888 nan 8.380 nan 0.000 0.518 92 G N 3.301 112.093 108.800 -0.013 0.000 2.565 92 G HA2 -0.357 3.605 3.960 0.004 0.000 0.295 92 G HA3 -0.357 3.605 3.960 0.004 0.000 0.295 92 G C 0.420 175.312 174.900 -0.013 0.000 1.165 92 G CA 0.006 45.098 45.100 -0.013 0.000 0.977 92 G HN 0.558 nan 8.290 nan 0.000 0.546 93 N N 1.457 120.147 118.700 -0.015 0.000 2.230 93 N HA 0.198 4.940 4.740 0.004 0.000 0.202 93 N C 0.067 175.565 175.510 -0.021 0.000 1.119 93 N CA 0.806 53.846 53.050 -0.017 0.000 0.851 93 N CB 0.669 39.146 38.487 -0.017 0.000 0.990 93 N HN 0.486 nan 8.380 nan 0.000 0.497 94 T N 1.768 116.309 114.554 -0.022 0.000 2.744 94 T HA 0.447 4.800 4.350 0.004 0.000 0.291 94 T C 0.350 175.035 174.700 -0.025 0.000 0.957 94 T CA -0.353 61.730 62.100 -0.028 0.000 1.002 94 T CB 1.253 70.102 68.868 -0.032 0.000 0.919 94 T HN -0.050 nan 8.240 nan 0.000 0.468 95 L N 3.231 124.439 121.223 -0.024 0.000 2.295 95 L HA 0.445 4.788 4.340 0.004 0.000 0.285 95 L C 0.464 177.320 176.870 -0.023 0.000 1.035 95 L CA -0.800 54.032 54.840 -0.013 0.000 0.806 95 L CB 1.276 43.339 42.059 0.006 0.000 1.214 95 L HN 0.530 nan 8.230 nan 0.000 0.426 96 T N 4.660 119.198 114.554 -0.026 0.000 2.738 96 T HA 0.583 4.936 4.350 0.004 0.000 0.298 96 T C -0.057 174.622 174.700 -0.035 0.000 0.962 96 T CA -0.115 61.962 62.100 -0.039 0.000 0.972 96 T CB 0.338 69.180 68.868 -0.043 0.000 0.928 96 T HN 0.272 nan 8.240 nan 0.000 0.474 97 I N 2.130 122.671 120.570 -0.050 0.000 2.509 97 I HA 0.442 4.614 4.170 0.004 0.000 0.293 97 I C 0.210 176.245 176.117 -0.137 0.000 1.020 97 I CA -0.816 60.438 61.300 -0.077 0.000 1.088 97 I CB 2.102 40.063 38.000 -0.064 0.000 1.267 97 I HN 0.449 nan 8.210 nan 0.000 0.430 98 S N 6.902 122.511 115.700 -0.153 0.000 2.474 98 S HA 0.646 5.118 4.470 0.004 0.000 0.321 98 S C -0.650 173.761 174.600 -0.314 0.000 1.080 98 S CA -0.492 57.590 58.200 -0.196 0.000 1.106 98 S CB 0.263 63.400 63.200 -0.104 0.000 0.984 98 S HN 0.414 nan 8.310 nan 0.000 0.464 99 I N 3.468 123.689 120.570 -0.583 0.000 2.460 99 I HA 0.485 4.657 4.170 0.004 0.000 0.298 99 I C 0.274 176.029 176.117 -0.602 0.000 0.989 99 I CA -0.506 60.404 61.300 -0.650 0.000 1.173 99 I CB 2.065 39.516 38.000 -0.915 0.000 1.338 99 I HN 0.508 nan 8.210 nan 0.000 0.456 100 S N 3.056 118.565 115.700 -0.318 0.000 2.570 100 S HA 0.732 5.204 4.470 0.004 0.000 0.286 100 S C -0.645 173.722 174.600 -0.389 0.000 1.099 100 S CA -0.507 57.550 58.200 -0.239 0.000 0.913 100 S CB 1.657 64.739 63.200 -0.197 0.000 1.085 100 S HN 0.727 nan 8.310 nan 0.000 0.480 101 S N 2.748 118.105 115.700 -0.571 0.000 2.638 101 S HA 0.795 5.267 4.470 0.004 0.000 0.302 101 S C -3.130 171.001 174.600 -0.781 0.000 1.096 101 S CA -1.522 55.886 58.200 -1.319 0.000 0.953 101 S CB 1.626 63.834 63.200 -1.654 0.000 1.107 101 S HN 0.558 nan 8.310 nan 0.000 0.503 102 P HA 0.301 nan 4.420 nan 0.000 0.278 102 P C 0.375 177.539 177.300 -0.226 0.000 1.238 102 P CA -0.411 62.468 63.100 -0.369 0.000 0.794 102 P CB 1.086 32.630 31.700 -0.261 0.000 0.955 103 A N 2.532 125.283 122.820 -0.115 0.000 2.172 103 A HA -0.085 4.237 4.320 0.004 0.000 0.216 103 A C 1.659 179.256 177.584 0.021 0.000 1.154 103 A CA 1.597 53.615 52.037 -0.031 0.000 0.701 103 A CB -1.093 17.904 19.000 -0.006 0.000 0.789 103 A HN 0.627 nan 8.150 nan 0.000 0.465 104 S N -1.202 114.500 115.700 0.004 0.000 2.575 104 S HA 0.625 5.097 4.470 0.004 0.000 0.237 104 S C 0.606 175.247 174.600 0.068 0.000 0.975 104 S CA 0.170 58.402 58.200 0.054 0.000 0.960 104 S CB -0.352 62.878 63.200 0.050 0.000 0.822 104 S HN 0.722 nan 8.310 nan 0.000 0.472 105 A N 2.600 125.441 122.820 0.036 0.000 2.407 105 A HA 0.629 4.952 4.320 0.004 0.000 0.248 105 A C -2.646 175.027 177.584 0.148 0.000 1.082 105 A CA -1.420 50.692 52.037 0.125 0.000 0.785 105 A CB -0.323 18.714 19.000 0.062 0.000 1.020 105 A HN 0.340 nan 8.150 nan 0.000 0.489 106 P HA 0.280 nan 4.420 nan 0.000 0.275 106 P C -0.191 177.208 177.300 0.164 0.000 1.228 106 P CA -0.084 63.106 63.100 0.149 0.000 0.786 106 P CB 0.484 32.271 31.700 0.146 0.000 0.927 107 I N -0.766 119.775 120.570 -0.050 0.000 2.834 107 I HA 0.851 5.023 4.170 0.004 0.000 0.305 107 I C 0.656 176.794 176.117 0.035 0.000 1.008 107 I CA -0.313 60.940 61.300 -0.078 0.000 1.273 107 I CB 0.698 38.426 38.000 -0.454 0.000 1.432 107 I HN 0.608 nan 8.210 nan 0.000 0.557 108 G N 3.100 111.942 108.800 0.070 0.000 2.302 108 G HA2 0.048 4.010 3.960 0.004 0.000 0.276 108 G HA3 0.048 4.010 3.960 0.004 0.000 0.276 108 G C -1.159 173.756 174.900 0.025 0.000 1.316 108 G CA -1.099 44.004 45.100 0.005 0.000 0.988 108 G HN 0.794 nan 8.290 nan 0.000 0.479 109 R N -0.233 120.207 120.500 -0.101 0.000 2.254 109 R HA 0.581 4.924 4.340 0.004 0.000 0.318 109 R C -1.109 175.024 176.300 -0.277 0.000 1.031 109 R CA -0.191 55.821 56.100 -0.147 0.000 0.905 109 R CB 0.825 31.035 30.300 -0.150 0.000 1.050 109 R HN 0.448 nan 8.270 nan 0.000 0.456 110 Y N 0.035 120.017 120.300 -0.530 0.000 2.549 110 Y HA 0.356 4.907 4.550 0.002 0.000 0.339 110 Y C 0.508 176.059 175.900 -0.582 0.000 1.053 110 Y CA -0.547 57.177 58.100 -0.626 0.000 1.105 110 Y CB 2.502 40.323 38.460 -1.064 0.000 1.258 110 Y HN 0.413 nan 8.280 nan 0.000 0.478 111 T N 3.460 117.923 114.554 -0.152 0.000 2.856 111 T HA 0.533 4.885 4.350 0.004 0.000 0.283 111 T C -1.022 173.749 174.700 0.119 0.000 1.008 111 T CA -0.719 61.356 62.100 -0.043 0.000 0.997 111 T CB 0.941 69.792 68.868 -0.028 0.000 0.992 111 T HN 0.533 nan 8.240 nan 0.000 0.454 112 M N 2.874 122.623 119.600 0.249 0.000 2.321 112 M HA 0.739 5.222 4.480 0.004 0.000 0.315 112 M C -1.303 175.158 176.300 0.268 0.000 1.052 112 M CA -0.593 54.934 55.300 0.380 0.000 0.936 112 M CB 1.113 34.122 32.600 0.681 0.000 1.639 112 M HN 0.751 nan 8.290 nan 0.000 0.433 113 A N 3.985 126.905 122.820 0.167 0.000 2.430 113 A HA 0.894 5.217 4.320 0.004 0.000 0.300 113 A C -2.113 175.449 177.584 -0.035 0.000 1.124 113 A CA -0.731 51.346 52.037 0.066 0.000 0.766 113 A CB 1.845 20.858 19.000 0.022 0.000 1.328 113 A HN 0.811 nan 8.150 nan 0.000 0.424 114 L N 0.267 121.419 121.223 -0.118 0.000 2.385 114 L HA 0.596 4.938 4.340 0.004 0.000 0.273 114 L C -0.380 176.356 176.870 -0.224 0.000 0.990 114 L CA -0.067 54.603 54.840 -0.283 0.000 0.821 114 L CB 1.945 43.795 42.059 -0.348 0.000 1.279 114 L HN 0.804 nan 8.230 nan 0.000 0.412 115 Q N 4.898 124.556 119.800 -0.236 0.000 2.307 115 Q HA 0.602 4.944 4.340 0.004 0.000 0.262 115 Q C -1.545 174.338 176.000 -0.195 0.000 0.961 115 Q CA -0.505 55.173 55.803 -0.209 0.000 0.882 115 Q CB 1.332 29.966 28.738 -0.172 0.000 1.264 115 Q HN 0.757 nan 8.270 nan 0.000 0.446 116 I N 4.236 124.670 120.570 -0.228 0.000 2.362 116 I HA 0.305 4.477 4.170 0.004 0.000 0.289 116 I C -0.944 175.056 176.117 -0.195 0.000 0.994 116 I CA -0.697 60.522 61.300 -0.137 0.000 1.158 116 I CB 1.060 38.994 38.000 -0.111 0.000 1.315 116 I HN 0.589 nan 8.210 nan 0.000 0.451 117 F N 4.846 124.759 119.950 -0.062 0.000 2.371 117 F HA 0.449 4.978 4.527 0.004 0.000 0.363 117 F C 0.573 176.351 175.800 -0.036 0.000 1.122 117 F CA -0.138 57.836 58.000 -0.042 0.000 1.129 117 F CB 1.339 40.319 39.000 -0.034 0.000 1.173 117 F HN 0.344 nan 8.300 nan 0.000 0.489 118 S N 2.773 118.525 115.700 0.087 0.000 2.543 118 S HA 0.296 4.768 4.470 0.004 0.000 0.271 118 S C -0.756 173.861 174.600 0.028 0.000 1.148 118 S CA -0.601 57.629 58.200 0.050 0.000 0.914 118 S CB 1.045 64.254 63.200 0.014 0.000 1.096 118 S HN 0.699 nan 8.310 nan 0.000 0.471 119 Q N 2.277 122.094 119.800 0.028 0.000 2.435 119 Q HA -0.216 4.126 4.340 0.004 0.000 0.312 119 Q C 0.938 176.950 176.000 0.019 0.000 1.333 119 Q CA 0.974 56.788 55.803 0.017 0.000 0.883 119 Q CB -1.970 26.771 28.738 0.005 0.000 1.170 119 Q HN 1.769 nan 8.270 nan 0.000 0.443 120 G N -2.219 106.603 108.800 0.036 0.000 2.175 120 G HA2 -0.293 3.669 3.960 0.004 0.000 0.265 120 G HA3 -0.293 3.669 3.960 0.004 0.000 0.265 120 G C 0.347 175.264 174.900 0.027 0.000 0.979 120 G CA 0.412 45.534 45.100 0.038 0.000 0.663 120 G HN 0.949 nan 8.290 nan 0.000 0.533 121 G N -1.230 107.576 108.800 0.011 0.000 0.000 121 G HA2 0.788 4.750 3.960 0.004 0.000 0.000 121 G HA3 0.788 4.750 3.960 0.004 0.000 0.000 121 G C -0.912 173.934 174.900 -0.091 0.000 0.000 121 G CA -0.966 44.115 45.100 -0.030 0.000 0.000 121 G HN 0.680 nan 8.290 nan 0.000 0.000 122 I N 0.604 121.077 120.570 -0.161 0.000 2.619 122 I HA 0.492 4.664 4.170 0.004 0.000 0.292 122 I C -0.253 175.726 176.117 -0.231 0.000 1.100 122 I CA -0.774 60.337 61.300 -0.315 0.000 1.043 122 I CB 2.575 40.301 38.000 -0.458 0.000 1.239 122 I HN 0.630 nan 8.210 nan 0.000 0.420 123 S N 3.070 118.627 115.700 -0.238 0.000 2.599 123 S HA 0.772 5.244 4.470 0.004 0.000 0.287 123 S C -0.895 173.601 174.600 -0.173 0.000 1.105 123 S CA -0.646 57.456 58.200 -0.165 0.000 0.899 123 S CB 2.192 65.321 63.200 -0.118 0.000 1.100 123 S HN 0.478 nan 8.310 nan 0.000 0.482 124 S N 0.220 115.843 115.700 -0.128 0.000 2.568 124 S HA 0.874 5.347 4.470 0.004 0.000 0.293 124 S C -1.408 173.144 174.600 -0.079 0.000 1.089 124 S CA -0.634 57.498 58.200 -0.113 0.000 0.945 124 S CB 1.657 64.799 63.200 -0.097 0.000 1.077 124 S HN 1.267 nan 8.310 nan 0.000 0.485 125 V N 3.060 122.932 119.914 -0.070 0.000 2.891 125 V HA 0.529 4.651 4.120 0.004 0.000 0.304 125 V C -1.201 174.888 176.094 -0.009 0.000 1.171 125 V CA -0.821 61.456 62.300 -0.038 0.000 0.943 125 V CB 1.959 33.757 31.823 -0.043 0.000 1.037 125 V HN 0.862 nan 8.190 nan 0.000 0.427 126 K N 5.167 125.581 120.400 0.023 0.000 2.297 126 K HA 0.445 4.767 4.320 0.004 0.000 0.286 126 K C 0.376 177.050 176.600 0.122 0.000 1.053 126 K CA -0.427 55.900 56.287 0.067 0.000 0.940 126 K CB 1.229 33.765 32.500 0.059 0.000 1.019 126 K HN 0.803 nan 8.250 nan 0.000 0.475 127 L N 2.697 124.044 121.223 0.207 0.000 2.168 127 L HA 0.228 4.571 4.340 0.004 0.000 0.203 127 L C 1.194 178.392 176.870 0.546 0.000 1.078 127 L CA 0.730 55.773 54.840 0.339 0.000 0.780 127 L CB 0.022 42.321 42.059 0.400 0.000 0.939 127 L HN 0.998 nan 8.230 nan 0.000 0.451 128 G N -0.819 108.248 108.800 0.445 0.000 2.344 128 G HA2 0.276 4.239 3.960 0.004 0.000 0.282 128 G HA3 0.276 4.239 3.960 0.004 0.000 0.282 128 G C -1.173 173.778 174.900 0.085 0.000 1.281 128 G CA -0.023 45.229 45.100 0.253 0.000 0.877 128 G HN 0.029 nan 8.290 nan 0.000 0.494 129 T N -1.989 112.504 114.554 -0.102 0.000 2.901 129 T HA 0.923 5.276 4.350 0.004 0.000 0.293 129 T C -0.696 173.921 174.700 -0.137 0.000 1.084 129 T CA -0.216 61.813 62.100 -0.119 0.000 1.008 129 T CB 2.189 70.980 68.868 -0.129 0.000 1.170 129 T HN 2.025 nan 8.240 nan 0.000 0.509 130 F N -1.359 118.481 119.950 -0.184 0.000 2.713 130 F HA 0.799 5.328 4.527 0.003 0.000 0.311 130 F C -2.078 173.669 175.800 -0.088 0.000 1.141 130 F CA -1.750 56.115 58.000 -0.224 0.000 0.939 130 F CB 0.925 39.727 39.000 -0.331 0.000 1.325 130 F HN 0.603 nan 8.300 nan 0.000 0.453 131 I N 2.564 123.182 120.570 0.080 0.000 2.404 131 I HA 0.490 4.662 4.170 0.004 0.000 0.293 131 I C -1.381 174.820 176.117 0.141 0.000 0.992 131 I CA -0.977 60.343 61.300 0.032 0.000 1.149 131 I CB 1.877 39.843 38.000 -0.057 0.000 1.315 131 I HN 0.555 nan 8.210 nan 0.000 0.446 132 L N 7.678 128.998 121.223 0.162 0.000 2.333 132 L HA 0.620 4.963 4.340 0.004 0.000 0.280 132 L C -0.882 176.018 176.870 0.049 0.000 1.004 132 L CA -0.069 54.854 54.840 0.138 0.000 0.820 132 L CB 1.190 43.339 42.059 0.151 0.000 1.247 132 L HN 0.462 nan 8.230 nan 0.000 0.416 133 L N 2.851 124.097 121.223 0.037 0.000 2.260 133 L HA 0.564 4.907 4.340 0.004 0.000 0.265 133 L C -0.568 176.315 176.870 0.022 0.000 1.015 133 L CA -0.976 53.868 54.840 0.007 0.000 0.826 133 L CB 1.068 43.204 42.059 0.128 0.000 1.373 133 L HN 0.296 nan 8.230 nan 0.000 0.450 134 F N 0.425 120.486 119.950 0.185 0.000 2.496 134 F HA 0.120 4.650 4.527 0.006 0.000 0.344 134 F C 0.815 176.767 175.800 0.254 0.000 1.155 134 F CA 0.062 58.175 58.000 0.189 0.000 1.302 134 F CB 0.169 39.272 39.000 0.171 0.000 1.159 134 F HN 0.323 nan 8.300 nan 0.000 0.595 135 N N 3.169 122.149 118.700 0.468 0.000 2.776 135 N HA 0.306 5.049 4.740 0.004 0.000 0.245 135 N C -2.335 173.450 175.510 0.457 0.000 1.121 135 N CA -2.112 51.215 53.050 0.462 0.000 0.852 135 N CB 1.024 39.710 38.487 0.331 0.000 1.142 135 N HN 0.080 nan 8.380 nan 0.000 0.514 136 P HA 0.017 nan 4.420 nan 0.000 0.231 136 P C 0.887 178.227 177.300 0.067 0.000 1.158 136 P CA 0.707 63.873 63.100 0.111 0.000 0.763 136 P CB 0.119 31.698 31.700 -0.203 0.000 0.805 137 W N -1.461 119.967 121.300 0.213 0.000 2.942 137 W HA 0.225 4.889 4.660 0.006 0.000 0.263 137 W C 0.337 177.044 176.519 0.314 0.000 1.296 137 W CA -0.214 57.260 57.345 0.214 0.000 1.504 137 W CB 0.063 29.576 29.460 0.088 0.000 1.096 137 W HN -0.069 nan 8.180 nan 0.000 0.639 138 L N 3.216 124.720 121.223 0.469 0.000 2.260 138 L HA 0.105 4.448 4.340 0.004 0.000 0.289 138 L C 1.510 178.314 176.870 -0.110 0.000 1.057 138 L CA 0.025 54.975 54.840 0.184 0.000 0.811 138 L CB 0.453 42.595 42.059 0.138 0.000 1.184 138 L HN -0.050 nan 8.230 nan 0.000 0.429 139 N N 4.182 122.509 118.700 -0.622 0.000 2.192 139 N HA -0.214 4.528 4.740 0.004 0.000 0.188 139 N C 1.046 176.205 175.510 -0.586 0.000 1.013 139 N CA 2.170 54.416 53.050 -1.340 0.000 0.863 139 N CB -0.609 37.378 38.487 -0.834 0.000 0.990 139 N HN 0.556 nan 8.380 nan 0.000 0.430 140 V N -3.115 116.650 119.914 -0.248 0.000 3.541 140 V HA 0.105 4.228 4.120 0.004 0.000 0.267 140 V C 0.688 176.785 176.094 0.004 0.000 1.213 140 V CA 0.043 62.284 62.300 -0.098 0.000 1.149 140 V CB -0.700 31.082 31.823 -0.068 0.000 0.822 140 V HN 0.002 nan 8.190 nan 0.000 0.462 141 D N 1.700 122.138 120.400 0.063 0.000 2.382 141 D HA 0.090 4.732 4.640 0.004 0.000 0.245 141 D C 1.575 177.989 176.300 0.188 0.000 1.120 141 D CA 0.993 55.087 54.000 0.157 0.000 0.890 141 D CB 2.103 43.043 40.800 0.234 0.000 1.201 141 D HN 0.393 nan 8.370 nan 0.000 0.433 142 S N 1.676 117.472 115.700 0.160 0.000 2.419 142 S HA -0.175 4.297 4.470 0.004 0.000 0.233 142 S C 1.756 176.446 174.600 0.150 0.000 1.016 142 S CA 1.181 59.458 58.200 0.127 0.000 0.974 142 S CB -0.543 62.702 63.200 0.075 0.000 0.786 142 S HN 0.460 nan 8.310 nan 0.000 0.492 143 V N -2.000 118.017 119.914 0.172 0.000 3.577 143 V HA 0.440 4.562 4.120 0.004 0.000 0.294 143 V C 0.512 176.784 176.094 0.297 0.000 1.317 143 V CA -0.965 61.455 62.300 0.200 0.000 1.169 143 V CB -1.799 30.074 31.823 0.083 0.000 1.011 143 V HN 0.329 nan 8.190 nan 0.000 0.426 144 F N 2.606 122.652 119.950 0.160 0.000 2.604 144 F HA 0.290 4.822 4.527 0.007 0.000 0.393 144 F C 0.123 176.038 175.800 0.192 0.000 1.043 144 F CA 0.124 58.204 58.000 0.134 0.000 1.227 144 F CB 0.395 39.461 39.000 0.108 0.000 1.016 144 F HN 0.298 nan 8.300 nan 0.000 0.556 145 M N 7.085 126.187 119.600 -0.829 0.000 2.067 145 M HA 0.345 4.827 4.480 0.004 0.000 0.286 145 M C 0.630 176.209 176.300 -1.202 0.000 0.922 145 M CA -0.201 54.527 55.300 -0.952 0.000 0.937 145 M CB 1.286 33.391 32.600 -0.824 0.000 1.550 145 M HN 0.746 nan 8.290 nan 0.000 0.433 146 G N 3.397 111.433 108.800 -1.273 0.000 2.448 146 G HA2 -0.135 3.827 3.960 0.004 0.000 0.218 146 G HA3 -0.135 3.827 3.960 0.004 0.000 0.218 146 G C 0.569 175.283 174.900 -0.310 0.000 1.135 146 G CA 0.030 44.718 45.100 -0.687 0.000 0.784 146 G HN 0.698 nan 8.290 nan 0.000 0.543 147 N N -0.067 118.432 118.700 -0.335 0.000 2.458 147 N HA 0.031 4.773 4.740 0.004 0.000 0.270 147 N C 1.020 176.402 175.510 -0.213 0.000 1.102 147 N CA -0.271 52.658 53.050 -0.202 0.000 0.967 147 N CB 1.005 39.378 38.487 -0.191 0.000 1.078 147 N HN 0.235 nan 8.380 nan 0.000 0.471 148 H N 4.454 123.423 119.070 -0.167 0.000 2.267 148 H HA -0.115 4.445 4.556 0.008 0.000 0.297 148 H C 1.771 177.003 175.328 -0.160 0.000 1.080 148 H CA 2.851 58.812 56.048 -0.145 0.000 1.278 148 H CB -0.037 29.688 29.762 -0.061 0.000 1.365 148 H HN 0.735 nan 8.280 nan 0.000 0.489 149 A N 0.705 123.428 122.820 -0.163 0.000 1.883 149 A HA -0.238 4.084 4.320 0.004 0.000 0.217 149 A C 2.289 179.671 177.584 -0.338 0.000 1.186 149 A CA 2.055 53.964 52.037 -0.213 0.000 0.624 149 A CB -0.647 18.301 19.000 -0.086 0.000 0.822 149 A HN 0.725 nan 8.150 nan 0.000 0.444 150 E N -0.989 119.014 120.200 -0.329 0.000 2.051 150 E HA -0.212 4.140 4.350 0.004 0.000 0.192 150 E C 2.350 178.674 176.600 -0.461 0.000 0.991 150 E CA 1.124 57.264 56.400 -0.433 0.000 0.799 150 E CB -0.229 29.332 29.700 -0.231 0.000 0.748 150 E HN 0.592 nan 8.360 nan 0.000 0.449 151 R N 1.014 121.252 120.500 -0.436 0.000 2.091 151 R HA -0.179 4.164 4.340 0.004 0.000 0.238 151 R C 1.982 178.048 176.300 -0.391 0.000 1.136 151 R CA 1.301 57.117 56.100 -0.472 0.000 0.959 151 R CB 0.043 29.926 30.300 -0.695 0.000 0.856 151 R HN 0.095 nan 8.270 nan 0.000 0.437 152 E N 0.387 120.337 120.200 -0.417 0.000 2.110 152 E HA -0.221 4.132 4.350 0.004 0.000 0.193 152 E C 1.776 178.265 176.600 -0.184 0.000 0.988 152 E CA 1.339 57.580 56.400 -0.266 0.000 0.804 152 E CB -0.035 29.474 29.700 -0.317 0.000 0.745 152 E HN 0.421 nan 8.360 nan 0.000 0.458 153 E N -0.116 119.894 120.200 -0.317 0.000 2.076 153 E HA -0.125 4.227 4.350 0.004 0.000 0.190 153 E C 1.324 177.806 176.600 -0.196 0.000 0.979 153 E CA 0.877 57.084 56.400 -0.322 0.000 0.807 153 E CB -0.188 29.154 29.700 -0.597 0.000 0.761 153 E HN 0.212 nan 8.360 nan 0.000 0.454 154 Y N -0.845 119.425 120.300 -0.051 0.000 2.490 154 Y HA 0.197 4.749 4.550 0.003 0.000 0.281 154 Y C 1.510 177.391 175.900 -0.032 0.000 1.174 154 Y CA 0.058 58.148 58.100 -0.016 0.000 1.295 154 Y CB 0.421 38.916 38.460 0.058 0.000 1.062 154 Y HN -0.017 nan 8.280 nan 0.000 0.522 155 V N -1.688 118.272 119.914 0.077 0.000 3.102 155 V HA -0.021 4.101 4.120 0.004 0.000 0.225 155 V C 1.656 177.856 176.094 0.177 0.000 1.301 155 V CA 0.422 62.782 62.300 0.100 0.000 1.308 155 V CB 0.122 31.963 31.823 0.031 0.000 1.129 155 V HN 0.012 nan 8.190 nan 0.000 0.502 156 Q N 0.441 120.354 119.800 0.190 0.000 2.389 156 Q HA 0.077 4.420 4.340 0.004 0.000 0.204 156 Q C 0.771 176.969 176.000 0.331 0.000 0.944 156 Q CA 0.307 56.304 55.803 0.324 0.000 0.908 156 Q CB 0.107 28.977 28.738 0.220 0.000 1.002 156 Q HN 0.548 nan 8.270 nan 0.000 0.493 157 E N 2.737 123.054 120.200 0.195 0.000 2.257 157 E HA -0.010 4.342 4.350 0.004 0.000 0.278 157 E C -0.094 176.680 176.600 0.290 0.000 1.049 157 E CA -0.066 56.461 56.400 0.212 0.000 0.876 157 E CB 0.598 30.383 29.700 0.142 0.000 1.035 157 E HN 0.092 nan 8.360 nan 0.000 0.419 158 D N 2.821 123.423 120.400 0.336 0.000 2.395 158 D HA 0.168 4.810 4.640 0.004 0.000 0.213 158 D C -0.361 176.136 176.300 0.329 0.000 1.110 158 D CA -0.311 53.895 54.000 0.344 0.000 0.835 158 D CB 0.227 41.207 40.800 0.301 0.000 0.965 158 D HN 0.246 nan 8.370 nan 0.000 0.505 159 A N 0.011 122.996 122.820 0.274 0.000 2.330 159 A HA 0.748 5.070 4.320 0.004 0.000 0.313 159 A C 0.192 177.843 177.584 0.112 0.000 1.124 159 A CA -0.258 51.835 52.037 0.094 0.000 0.774 159 A CB 1.710 20.745 19.000 0.058 0.000 1.198 159 A HN 0.220 nan 8.150 nan 0.000 0.465 160 G N 0.510 109.216 108.800 -0.157 0.000 3.015 160 G HA2 0.676 4.638 3.960 0.004 0.000 0.281 160 G HA3 0.676 4.638 3.960 0.004 0.000 0.281 160 G C -1.267 173.573 174.900 -0.099 0.000 1.386 160 G CA -0.566 44.514 45.100 -0.034 0.000 0.959 160 G HN 0.525 nan 8.290 nan 0.000 0.522 161 I N 0.371 120.902 120.570 -0.066 0.000 2.569 161 I HA 0.455 4.627 4.170 0.004 0.000 0.290 161 I C -0.885 175.044 176.117 -0.313 0.000 1.088 161 I CA -0.575 60.587 61.300 -0.231 0.000 1.047 161 I CB 1.756 39.571 38.000 -0.308 0.000 1.237 161 I HN 0.318 nan 8.210 nan 0.000 0.421 162 I N 5.572 125.902 120.570 -0.400 0.000 2.447 162 I HA 0.353 4.525 4.170 0.004 0.000 0.287 162 I C -0.724 175.079 176.117 -0.524 0.000 1.023 162 I CA -0.549 60.532 61.300 -0.364 0.000 1.083 162 I CB 1.731 39.597 38.000 -0.224 0.000 1.245 162 I HN 0.243 nan 8.210 nan 0.000 0.434 163 F N 6.248 126.082 119.950 -0.192 0.000 2.412 163 F HA 0.501 5.023 4.527 -0.008 0.000 0.348 163 F C 0.671 176.193 175.800 -0.464 0.000 1.102 163 F CA -0.236 57.638 58.000 -0.210 0.000 1.196 163 F CB 1.083 40.050 39.000 -0.057 0.000 1.144 163 F HN 0.211 nan 8.300 nan 0.000 0.541 164 V N -0.614 119.087 119.914 -0.356 0.000 3.069 164 V HA 1.044 5.166 4.120 0.004 0.000 0.312 164 V C 0.167 176.058 176.094 -0.338 0.000 1.369 164 V CA -0.264 61.431 62.300 -1.010 0.000 1.047 164 V CB 1.003 32.205 31.823 -1.034 0.000 1.098 164 V HN 1.270 nan 8.190 nan 0.000 0.473 165 G N 0.423 109.066 108.800 -0.262 0.000 2.709 165 G HA2 0.311 4.274 3.960 0.004 0.000 0.228 165 G HA3 0.311 4.274 3.960 0.004 0.000 0.228 165 G C 0.049 175.230 174.900 0.469 0.000 1.215 165 G CA 0.449 45.646 45.100 0.163 0.000 1.003 165 G HN 2.709 nan 8.290 nan 0.000 0.584 166 S N -2.345 113.566 115.700 0.352 0.000 2.615 166 S HA 0.657 5.130 4.470 0.004 0.000 0.269 166 S C 1.078 175.655 174.600 -0.037 0.000 1.161 166 S CA 0.878 59.296 58.200 0.363 0.000 0.817 166 S CB 1.083 64.448 63.200 0.275 0.000 1.131 166 S HN 2.385 nan 8.310 nan 0.000 0.467 167 T N -0.607 113.970 114.554 0.038 0.000 2.946 167 T HA -0.093 4.259 4.350 0.004 0.000 0.271 167 T C 0.919 175.591 174.700 -0.048 0.000 1.104 167 T CA 1.808 63.892 62.100 -0.027 0.000 1.114 167 T CB -1.009 67.977 68.868 0.197 0.000 0.867 167 T HN 0.657 nan 8.240 nan 0.000 0.513 168 N N 0.572 119.261 118.700 -0.019 0.000 2.392 168 N HA 0.178 4.920 4.740 0.004 0.000 0.177 168 N C 0.759 176.223 175.510 -0.077 0.000 1.066 168 N CA 0.087 53.122 53.050 -0.026 0.000 0.895 168 N CB 0.295 38.797 38.487 0.025 0.000 0.988 168 N HN 0.300 nan 8.380 nan 0.000 0.457 169 R N 1.048 121.487 120.500 -0.102 0.000 3.190 169 R HA 0.219 4.562 4.340 0.004 0.000 0.244 169 R C -1.721 174.510 176.300 -0.115 0.000 1.788 169 R CA -0.256 55.784 56.100 -0.100 0.000 1.160 169 R CB 0.032 30.312 30.300 -0.033 0.000 1.494 169 R HN 0.020 nan 8.270 nan 0.000 0.499 170 I N 3.251 123.690 120.570 -0.219 0.000 2.471 170 I HA 0.288 4.460 4.170 0.004 0.000 0.286 170 I C 1.074 177.173 176.117 -0.029 0.000 1.079 170 I CA 0.106 61.300 61.300 -0.177 0.000 1.398 170 I CB 1.351 39.142 38.000 -0.348 0.000 1.403 170 I HN 0.614 nan 8.210 nan 0.000 0.530 171 G N 6.419 115.236 108.800 0.028 0.000 3.016 171 G HA2 0.898 4.860 3.960 0.004 0.000 0.270 171 G HA3 0.898 4.860 3.960 0.004 0.000 0.270 171 G C -0.815 174.089 174.900 0.006 0.000 1.352 171 G CA -0.794 44.308 45.100 0.003 0.000 1.060 171 G HN 0.630 nan 8.290 nan 0.000 0.538 172 M N -1.142 118.392 119.600 -0.111 0.000 2.603 172 M HA 0.743 5.225 4.480 0.004 0.000 0.275 172 M C -1.620 174.532 176.300 -0.247 0.000 1.226 172 M CA -0.981 54.157 55.300 -0.271 0.000 0.870 172 M CB 2.393 34.762 32.600 -0.385 0.000 1.716 172 M HN 0.654 nan 8.290 nan 0.000 0.482 173 I N -0.580 119.820 120.570 -0.284 0.000 2.686 173 I HA 0.914 5.086 4.170 0.004 0.000 0.295 173 I C -0.138 175.903 176.117 -0.127 0.000 1.114 173 I CA -0.910 60.284 61.300 -0.176 0.000 1.038 173 I CB 2.144 40.042 38.000 -0.171 0.000 1.238 173 I HN 0.872 nan 8.210 nan 0.000 0.420 174 G N 4.067 112.823 108.800 -0.073 0.000 2.503 174 G HA2 0.315 4.277 3.960 0.004 0.000 0.257 174 G HA3 0.315 4.277 3.960 0.004 0.000 0.257 174 G C -1.599 173.319 174.900 0.031 0.000 1.214 174 G CA -0.398 44.665 45.100 -0.061 0.000 0.839 174 G HN 0.792 nan 8.290 nan 0.000 0.559 175 W N 2.380 123.505 121.300 -0.292 0.000 3.097 175 W HA 0.324 5.083 4.660 0.164 0.000 0.335 175 W C -1.265 174.955 176.519 -0.498 0.000 1.114 175 W CA -0.978 56.154 57.345 -0.355 0.000 1.231 175 W CB 2.091 31.294 29.460 -0.429 0.000 1.388 175 W HN 0.496 nan 8.180 nan 0.000 0.485 176 N N 4.606 122.878 118.700 -0.713 0.000 2.469 176 N HA 0.173 4.915 4.740 0.004 0.000 0.239 176 N C 0.379 175.694 175.510 -0.325 0.000 1.053 176 N CA -0.111 52.676 53.050 -0.439 0.000 0.937 176 N CB -0.057 38.236 38.487 -0.323 0.000 1.163 176 N HN 0.326 nan 8.380 nan 0.000 0.509 177 F N 2.218 122.220 119.950 0.086 0.000 2.146 177 F HA 0.076 4.561 4.527 -0.070 0.000 0.298 177 F C 2.082 177.898 175.800 0.027 0.000 1.096 177 F CA 0.512 58.599 58.000 0.145 0.000 1.275 177 F CB -0.211 38.873 39.000 0.139 0.000 1.008 177 F HN 0.637 nan 8.300 nan 0.000 0.480 178 G N 1.227 110.126 108.800 0.166 0.000 2.379 178 G HA2 -0.354 3.609 3.960 0.004 0.000 0.297 178 G HA3 -0.354 3.609 3.960 0.004 0.000 0.297 178 G C 1.101 176.015 174.900 0.023 0.000 1.004 178 G CA 0.685 45.835 45.100 0.082 0.000 0.921 178 G HN 0.537 nan 8.290 nan 0.000 0.511 179 Q N -1.062 118.665 119.800 -0.123 0.000 2.439 179 Q HA -0.038 4.305 4.340 0.004 0.000 0.211 179 Q C 1.573 177.418 176.000 -0.258 0.000 0.978 179 Q CA 1.399 57.065 55.803 -0.229 0.000 0.897 179 Q CB -0.260 28.243 28.738 -0.391 0.000 0.956 179 Q HN 0.611 nan 8.270 nan 0.000 0.483 180 F N 1.358 121.376 119.950 0.113 0.000 2.749 180 F HA 0.279 4.815 4.527 0.014 0.000 0.300 180 F C 0.726 176.609 175.800 0.139 0.000 1.103 180 F CA -0.525 57.517 58.000 0.070 0.000 1.342 180 F CB 0.146 39.083 39.000 -0.104 0.000 1.098 180 F HN -0.120 nan 8.300 nan 0.000 0.586 181 E N 1.302 121.639 120.200 0.227 0.000 2.404 181 E HA -0.042 4.310 4.350 0.004 0.000 0.261 181 E C 0.125 176.824 176.600 0.165 0.000 1.074 181 E CA -0.178 56.324 56.400 0.169 0.000 0.917 181 E CB 0.402 30.167 29.700 0.110 0.000 0.965 181 E HN 0.099 nan 8.360 nan 0.000 0.433 182 E N 1.118 121.396 120.200 0.130 0.000 2.652 182 E HA -0.151 4.202 4.350 0.004 0.000 0.255 182 E C -0.009 176.647 176.600 0.093 0.000 0.952 182 E CA 0.840 57.306 56.400 0.110 0.000 0.947 182 E CB 0.018 29.766 29.700 0.079 0.000 0.912 182 E HN 0.512 nan 8.360 nan 0.000 0.489 183 D N 2.432 122.885 120.400 0.089 0.000 2.837 183 D HA -0.230 4.412 4.640 0.004 0.000 0.195 183 D C 0.814 177.159 176.300 0.075 0.000 1.033 183 D CA 1.280 55.320 54.000 0.065 0.000 1.021 183 D CB -0.859 39.970 40.800 0.049 0.000 1.101 183 D HN 0.441 nan 8.370 nan 0.000 0.431 184 I N 0.235 120.866 120.570 0.102 0.000 2.179 184 I HA -0.179 3.994 4.170 0.004 0.000 0.242 184 I C 2.594 178.765 176.117 0.089 0.000 1.088 184 I CA 1.050 62.411 61.300 0.101 0.000 1.357 184 I CB -1.128 36.940 38.000 0.114 0.000 1.051 184 I HN 0.275 nan 8.210 nan 0.000 0.409 185 L N 0.633 121.909 121.223 0.087 0.000 2.017 185 L HA -0.199 4.143 4.340 0.004 0.000 0.208 185 L C 2.795 179.651 176.870 -0.022 0.000 1.073 185 L CA 2.182 57.016 54.840 -0.010 0.000 0.745 185 L CB -0.959 40.965 42.059 -0.225 0.000 0.894 185 L HN 0.194 nan 8.230 nan 0.000 0.432 186 S N -0.533 115.159 115.700 -0.013 0.000 2.365 186 S HA -0.225 4.247 4.470 0.004 0.000 0.225 186 S C 2.072 176.683 174.600 0.017 0.000 1.039 186 S CA 1.956 60.148 58.200 -0.014 0.000 1.033 186 S CB -0.528 62.667 63.200 -0.008 0.000 0.887 186 S HN 0.511 nan 8.310 nan 0.000 0.447 187 I N 0.867 121.470 120.570 0.055 0.000 2.179 187 I HA -0.216 3.957 4.170 0.004 0.000 0.242 187 I C 2.580 178.773 176.117 0.127 0.000 1.088 187 I CA 1.080 62.449 61.300 0.115 0.000 1.357 187 I CB -0.585 37.507 38.000 0.154 0.000 1.051 187 I HN 0.429 nan 8.210 nan 0.000 0.409 188 C N 0.617 119.964 119.300 0.079 0.000 2.425 188 C HA -0.124 4.338 4.460 0.004 0.000 0.277 188 C C 2.736 177.752 174.990 0.044 0.000 1.280 188 C CA 0.577 59.629 59.018 0.057 0.000 1.744 188 C CB -1.012 26.759 27.740 0.052 0.000 1.989 188 C HN 0.455 nan 8.230 nan 0.000 0.491 189 L N 1.534 122.770 121.223 0.022 0.000 2.093 189 L HA -0.120 4.223 4.340 0.004 0.000 0.208 189 L C 2.769 179.630 176.870 -0.015 0.000 1.085 189 L CA 1.880 56.717 54.840 -0.004 0.000 0.755 189 L CB -0.645 41.393 42.059 -0.035 0.000 0.904 189 L HN 0.473 nan 8.230 nan 0.000 0.435 190 S N -0.023 115.680 115.700 0.005 0.000 2.419 190 S HA -0.158 4.314 4.470 0.004 0.000 0.233 190 S C 1.907 176.528 174.600 0.035 0.000 1.016 190 S CA 0.816 59.010 58.200 -0.011 0.000 0.974 190 S CB -0.677 62.531 63.200 0.012 0.000 0.786 190 S HN 0.376 nan 8.310 nan 0.000 0.492 191 I N 1.505 122.143 120.570 0.113 0.000 2.264 191 I HA -0.181 3.991 4.170 0.004 0.000 0.248 191 I C 2.276 178.412 176.117 0.031 0.000 1.111 191 I CA 1.297 62.675 61.300 0.130 0.000 1.382 191 I CB -0.457 37.558 38.000 0.025 0.000 1.060 191 I HN 0.328 nan 8.210 nan 0.000 0.418 192 L N 0.102 121.317 121.223 -0.014 0.000 2.191 192 L HA -0.199 4.144 4.340 0.004 0.000 0.212 192 L C 1.254 178.019 176.870 -0.175 0.000 1.103 192 L CA 1.030 55.855 54.840 -0.025 0.000 0.769 192 L CB -0.615 41.454 42.059 0.016 0.000 0.908 192 L HN 0.286 nan 8.230 nan 0.000 0.438 193 D N -0.191 119.977 120.400 -0.387 0.000 2.319 193 D HA 0.018 4.660 4.640 0.004 0.000 0.230 193 D C 1.511 177.451 176.300 -0.601 0.000 1.094 193 D CA 0.310 53.692 54.000 -1.029 0.000 0.856 193 D CB 0.334 40.630 40.800 -0.840 0.000 0.915 193 D HN 0.211 nan 8.370 nan 0.000 0.517 194 R N 0.063 120.464 120.500 -0.165 0.000 2.531 194 R HA 0.105 4.448 4.340 0.004 0.000 0.316 194 R C 0.751 177.125 176.300 0.123 0.000 0.955 194 R CA -0.033 56.087 56.100 0.034 0.000 1.120 194 R CB 0.469 30.852 30.300 0.138 0.000 1.361 194 R HN 0.093 nan 8.270 nan 0.000 0.534 195 S N -0.187 115.586 115.700 0.122 0.000 2.608 195 S HA 0.207 4.679 4.470 0.004 0.000 0.261 195 S C 1.593 176.291 174.600 0.163 0.000 1.314 195 S CA -0.526 57.751 58.200 0.128 0.000 0.992 195 S CB 0.968 64.224 63.200 0.093 0.000 0.935 195 S HN 0.102 nan 8.310 nan 0.000 0.564 196 L N 1.117 122.409 121.223 0.115 0.000 2.131 196 L HA -0.142 4.201 4.340 0.004 0.000 0.210 196 L C 2.207 179.149 176.870 0.120 0.000 1.092 196 L CA 1.410 56.313 54.840 0.105 0.000 0.759 196 L CB -0.999 41.101 42.059 0.068 0.000 0.903 196 L HN 0.681 nan 8.230 nan 0.000 0.435 197 N N 0.083 118.861 118.700 0.131 0.000 2.084 197 N HA -0.233 4.510 4.740 0.004 0.000 0.190 197 N C 1.637 177.270 175.510 0.205 0.000 1.030 197 N CA 1.352 54.502 53.050 0.167 0.000 0.849 197 N CB -0.489 38.120 38.487 0.204 0.000 1.012 197 N HN 0.177 nan 8.380 nan 0.000 0.423 198 F N 1.629 121.643 119.950 0.106 0.000 2.102 198 F HA -0.022 4.507 4.527 0.005 0.000 0.298 198 F C 2.148 177.998 175.800 0.084 0.000 1.105 198 F CA 1.262 59.322 58.000 0.100 0.000 1.239 198 F CB 0.048 39.101 39.000 0.088 0.000 0.991 198 F HN -0.111 nan 8.300 nan 0.000 0.474 199 R N -0.344 120.307 120.500 0.252 0.000 2.115 199 R HA -0.137 4.205 4.340 0.004 0.000 0.230 199 R C 2.364 178.687 176.300 0.037 0.000 1.111 199 R CA 1.341 57.526 56.100 0.141 0.000 0.976 199 R CB -0.354 30.044 30.300 0.162 0.000 0.870 199 R HN 0.257 nan 8.270 nan 0.000 0.445 200 R N 0.359 120.885 120.500 0.043 0.000 2.066 200 R HA -0.099 4.243 4.340 0.004 0.000 0.232 200 R C -0.179 176.105 176.300 -0.027 0.000 1.131 200 R CA 1.570 57.680 56.100 0.018 0.000 0.955 200 R CB 0.285 30.609 30.300 0.039 0.000 0.851 200 R HN -0.013 nan 8.270 nan 0.000 0.432 201 D N -1.906 118.459 120.400 -0.059 0.000 2.474 201 D HA 0.154 4.797 4.640 0.004 0.000 0.234 201 D C -0.036 176.156 176.300 -0.179 0.000 1.323 201 D CA 0.210 54.147 54.000 -0.105 0.000 0.915 201 D CB 0.988 41.750 40.800 -0.064 0.000 1.487 201 D HN 0.148 nan 8.370 nan 0.000 0.524 202 A N 2.743 125.342 122.820 -0.368 0.000 1.917 202 A HA 0.006 4.328 4.320 0.004 0.000 0.219 202 A C 2.244 179.707 177.584 -0.200 0.000 1.182 202 A CA 2.229 53.853 52.037 -0.688 0.000 0.633 202 A CB -0.559 17.799 19.000 -1.070 0.000 0.819 202 A HN 0.654 nan 8.150 nan 0.000 0.448 203 A N -1.026 121.772 122.820 -0.037 0.000 1.873 203 A HA -0.163 4.160 4.320 0.004 0.000 0.218 203 A C 2.336 179.910 177.584 -0.018 0.000 1.193 203 A CA 2.551 54.605 52.037 0.028 0.000 0.629 203 A CB -1.421 17.524 19.000 -0.091 0.000 0.826 203 A HN 0.451 nan 8.150 nan 0.000 0.447 204 T N -0.667 113.855 114.554 -0.054 0.000 2.867 204 T HA -0.099 4.253 4.350 0.004 0.000 0.268 204 T C 1.636 176.291 174.700 -0.075 0.000 1.057 204 T CA 1.556 63.620 62.100 -0.060 0.000 1.136 204 T CB -0.392 68.442 68.868 -0.058 0.000 0.874 204 T HN 0.716 nan 8.240 nan 0.000 0.466 205 D N 0.941 121.336 120.400 -0.008 0.000 2.097 205 D HA -0.101 4.542 4.640 0.004 0.000 0.195 205 D C 2.032 178.387 176.300 0.092 0.000 0.989 205 D CA 0.901 54.961 54.000 0.100 0.000 0.827 205 D CB -0.252 40.714 40.800 0.277 0.000 0.966 205 D HN 0.146 nan 8.370 nan 0.000 0.456 206 V N 0.637 120.623 119.914 0.120 0.000 2.407 206 V HA -0.182 3.941 4.120 0.004 0.000 0.248 206 V C 2.532 178.643 176.094 0.029 0.000 1.055 206 V CA 1.678 64.045 62.300 0.111 0.000 1.049 206 V CB -0.863 31.026 31.823 0.110 0.000 0.662 206 V HN 0.383 nan 8.190 nan 0.000 0.455 207 A N -0.563 122.251 122.820 -0.010 0.000 1.972 207 A HA -0.159 4.163 4.320 0.004 0.000 0.219 207 A C 2.311 179.848 177.584 -0.077 0.000 1.169 207 A CA 1.955 53.979 52.037 -0.021 0.000 0.635 207 A CB -0.461 18.523 19.000 -0.027 0.000 0.810 207 A HN 0.510 nan 8.150 nan 0.000 0.446 208 S N -0.610 114.956 115.700 -0.223 0.000 2.603 208 S HA 0.045 4.517 4.470 0.004 0.000 0.220 208 S C 1.362 175.832 174.600 -0.216 0.000 0.967 208 S CA 0.024 57.963 58.200 -0.436 0.000 0.920 208 S CB -0.155 62.320 63.200 -1.207 0.000 0.773 208 S HN 0.569 nan 8.310 nan 0.000 0.529 209 R N 2.310 122.809 120.500 -0.001 0.000 2.328 209 R HA 0.079 4.421 4.340 0.004 0.000 0.206 209 R C 1.125 177.503 176.300 0.130 0.000 0.990 209 R CA 0.373 56.565 56.100 0.153 0.000 1.085 209 R CB -0.210 30.162 30.300 0.119 0.000 0.998 209 R HN 0.403 nan 8.270 nan 0.000 0.484 210 N N -0.321 118.451 118.700 0.119 0.000 2.280 210 N HA -0.071 4.672 4.740 0.004 0.000 0.192 210 N C -0.435 175.239 175.510 0.273 0.000 1.109 210 N CA 0.201 53.343 53.050 0.154 0.000 0.855 210 N CB 0.361 38.916 38.487 0.114 0.000 0.974 210 N HN -0.044 nan 8.380 nan 0.000 0.482 211 D N 1.350 121.900 120.400 0.249 0.000 2.414 211 D HA 0.289 4.932 4.640 0.004 0.000 0.232 211 D C -1.701 174.657 176.300 0.095 0.000 1.070 211 D CA -2.336 51.761 54.000 0.163 0.000 0.839 211 D CB 2.225 43.085 40.800 0.101 0.000 1.079 211 D HN -0.102 nan 8.370 nan 0.000 0.521 212 P HA -0.167 nan 4.420 nan 0.000 0.218 212 P C 0.854 177.678 177.300 -0.793 0.000 1.149 212 P CA 0.993 63.633 63.100 -0.768 0.000 0.817 212 P CB 0.544 31.453 31.700 -1.319 0.000 0.785 213 K N -0.955 119.074 120.400 -0.618 0.000 2.026 213 K HA -0.190 4.133 4.320 0.004 0.000 0.208 213 K C 2.433 178.970 176.600 -0.106 0.000 1.048 213 K CA 1.431 57.560 56.287 -0.264 0.000 0.929 213 K CB -0.790 31.731 32.500 0.034 0.000 0.713 213 K HN 0.129 nan 8.250 nan 0.000 0.439 214 Y N 1.771 121.994 120.300 -0.128 0.000 2.133 214 Y HA -0.245 4.310 4.550 0.009 0.000 0.287 214 Y C 2.128 177.997 175.900 -0.051 0.000 1.134 214 Y CA 1.184 59.242 58.100 -0.070 0.000 1.133 214 Y CB -0.349 38.110 38.460 -0.002 0.000 0.987 214 Y HN -0.255 nan 8.280 nan 0.000 0.502 215 V N 0.223 120.184 119.914 0.079 0.000 2.332 215 V HA -0.303 3.820 4.120 0.004 0.000 0.248 215 V C 2.587 178.640 176.094 -0.068 0.000 1.055 215 V CA 1.961 64.286 62.300 0.040 0.000 1.038 215 V CB -1.624 30.343 31.823 0.240 0.000 0.651 215 V HN 0.655 nan 8.190 nan 0.000 0.450 216 G N -0.461 108.283 108.800 -0.094 0.000 2.459 216 G HA2 -0.322 3.640 3.960 0.004 0.000 0.217 216 G HA3 -0.322 3.640 3.960 0.004 0.000 0.217 216 G C 1.713 176.563 174.900 -0.083 0.000 1.183 216 G CA 1.046 46.124 45.100 -0.035 0.000 0.776 216 G HN 0.440 nan 8.290 nan 0.000 0.552 217 R N -0.256 120.135 120.500 -0.182 0.000 2.081 217 R HA -0.032 4.310 4.340 0.004 0.000 0.235 217 R C 2.683 178.837 176.300 -0.245 0.000 1.131 217 R CA 1.404 57.350 56.100 -0.257 0.000 0.960 217 R CB -0.431 29.608 30.300 -0.434 0.000 0.856 217 R HN 0.244 nan 8.270 nan 0.000 0.436 218 V N 1.330 121.051 119.914 -0.321 0.000 2.287 218 V HA -0.278 3.844 4.120 0.004 0.000 0.248 218 V C 2.344 178.356 176.094 -0.136 0.000 1.053 218 V CA 1.877 64.016 62.300 -0.270 0.000 1.027 218 V CB -0.398 31.220 31.823 -0.342 0.000 0.646 218 V HN 0.366 nan 8.190 nan 0.000 0.447 219 L N 0.787 121.951 121.223 -0.098 0.000 2.083 219 L HA -0.166 4.176 4.340 0.004 0.000 0.209 219 L C 2.673 179.519 176.870 -0.039 0.000 1.083 219 L CA 1.820 56.629 54.840 -0.051 0.000 0.752 219 L CB -0.739 41.312 42.059 -0.014 0.000 0.899 219 L HN 0.579 nan 8.230 nan 0.000 0.433 220 S N -0.307 115.368 115.700 -0.042 0.000 2.442 220 S HA -0.105 4.367 4.470 0.004 0.000 0.236 220 S C 1.947 176.530 174.600 -0.028 0.000 1.007 220 S CA 0.791 58.977 58.200 -0.023 0.000 0.965 220 S CB -0.150 63.031 63.200 -0.031 0.000 0.773 220 S HN 0.370 nan 8.310 nan 0.000 0.504 221 A N 1.989 124.783 122.820 -0.045 0.000 1.862 221 A HA 0.360 4.682 4.320 0.004 0.000 0.211 221 A C 2.238 179.817 177.584 -0.007 0.000 1.220 221 A CA 0.967 52.992 52.037 -0.020 0.000 0.616 221 A CB -0.543 18.434 19.000 -0.038 0.000 0.878 221 A HN 0.454 nan 8.150 nan 0.000 0.453 222 M N 0.219 119.800 119.600 -0.032 0.000 2.446 222 M HA -0.000 4.482 4.480 0.004 0.000 0.263 222 M C 1.498 177.725 176.300 -0.123 0.000 1.066 222 M CA 0.822 56.089 55.300 -0.055 0.000 1.087 222 M CB -0.881 31.681 32.600 -0.063 0.000 1.406 222 M HN 0.284 nan 8.290 nan 0.000 0.459 223 I N 0.621 121.145 120.570 -0.075 0.000 2.928 223 I HA -0.134 4.039 4.170 0.004 0.000 0.266 223 I C 0.496 176.649 176.117 0.060 0.000 1.234 223 I CA 0.442 61.700 61.300 -0.069 0.000 1.483 223 I CB -1.435 36.577 38.000 0.019 0.000 1.097 223 I HN 0.334 nan 8.210 nan 0.000 0.455 224 N N -0.667 118.093 118.700 0.101 0.000 2.417 224 N HA 0.100 4.842 4.740 0.004 0.000 0.300 224 N C 0.808 176.380 175.510 0.103 0.000 1.102 224 N CA -0.156 53.022 53.050 0.215 0.000 0.886 224 N CB 0.986 39.502 38.487 0.050 0.000 1.203 224 N HN -0.070 nan 8.380 nan 0.000 0.496 225 S N 0.705 116.481 115.700 0.126 0.000 2.481 225 S HA -0.079 4.393 4.470 0.004 0.000 0.231 225 S C 0.116 174.782 174.600 0.109 0.000 0.996 225 S CA -0.075 58.190 58.200 0.108 0.000 0.942 225 S CB -0.921 62.350 63.200 0.119 0.000 0.768 225 S HN 0.662 nan 8.310 nan 0.000 0.520 226 N N 3.130 121.883 118.700 0.089 0.000 2.353 226 N HA 0.098 4.840 4.740 0.004 0.000 0.248 226 N C 0.311 175.916 175.510 0.158 0.000 1.240 226 N CA 0.994 54.109 53.050 0.108 0.000 0.862 226 N CB -0.082 38.431 38.487 0.044 0.000 1.086 226 N HN 0.207 nan 8.380 nan 0.000 0.453 227 D N -0.565 119.933 120.400 0.164 0.000 2.463 227 D HA -0.247 4.395 4.640 0.004 0.000 0.165 227 D C -0.105 176.260 176.300 0.109 0.000 1.471 227 D CA 2.099 56.181 54.000 0.135 0.000 1.333 227 D CB -0.797 40.086 40.800 0.137 0.000 1.227 227 D HN 0.831 nan 8.370 nan 0.000 0.427 228 D N -0.684 119.784 120.400 0.114 0.000 2.594 228 D HA 0.200 4.843 4.640 0.004 0.000 0.256 228 D C -0.212 176.175 176.300 0.144 0.000 1.393 228 D CA -0.034 54.035 54.000 0.115 0.000 0.797 228 D CB -0.915 39.946 40.800 0.102 0.000 1.110 228 D HN 0.405 nan 8.370 nan 0.000 0.495 229 N N -0.230 118.562 118.700 0.155 0.000 2.780 229 N HA -0.108 4.634 4.740 0.004 0.000 0.248 229 N C 0.650 176.348 175.510 0.315 0.000 1.102 229 N CA 0.192 53.368 53.050 0.211 0.000 0.697 229 N CB -1.043 37.556 38.487 0.187 0.000 1.028 229 N HN 0.472 nan 8.380 nan 0.000 0.554 230 G N -0.337 108.575 108.800 0.187 0.000 2.631 230 G HA2 0.306 4.268 3.960 0.004 0.000 0.271 230 G HA3 0.306 4.268 3.960 0.004 0.000 0.271 230 G C 1.232 176.076 174.900 -0.093 0.000 1.302 230 G CA -0.067 45.062 45.100 0.047 0.000 1.002 230 G HN 0.050 nan 8.290 nan 0.000 0.519 231 V N -0.209 119.382 119.914 -0.539 0.000 2.229 231 V HA 0.025 4.147 4.120 0.004 0.000 0.243 231 V C 1.266 177.171 176.094 -0.315 0.000 1.042 231 V CA 1.223 63.023 62.300 -0.835 0.000 1.000 231 V CB -0.810 30.473 31.823 -0.899 0.000 0.637 231 V HN 0.309 nan 8.190 nan 0.000 0.446 232 L N 0.159 121.253 121.223 -0.215 0.000 2.317 232 L HA 0.691 5.033 4.340 0.004 0.000 0.281 232 L C -0.122 176.748 176.870 -0.000 0.000 1.024 232 L CA -0.376 54.331 54.840 -0.222 0.000 0.810 232 L CB 1.434 43.127 42.059 -0.611 0.000 1.240 232 L HN 0.186 nan 8.230 nan 0.000 0.427 233 A N 2.241 125.056 122.820 -0.007 0.000 2.249 233 A HA 0.665 4.987 4.320 0.004 0.000 0.314 233 A C 0.323 178.026 177.584 0.198 0.000 1.290 233 A CA -0.343 51.783 52.037 0.149 0.000 0.893 233 A CB 0.588 19.678 19.000 0.150 0.000 1.165 233 A HN 0.760 nan 8.150 nan 0.000 0.530 234 G N 1.016 110.010 108.800 0.323 0.000 2.527 234 G HA2 0.434 4.397 3.960 0.004 0.000 0.248 234 G HA3 0.434 4.397 3.960 0.004 0.000 0.248 234 G C -0.216 174.702 174.900 0.029 0.000 1.231 234 G CA -0.425 44.765 45.100 0.150 0.000 0.838 234 G HN 0.903 nan 8.290 nan 0.000 0.570 235 N N 0.259 118.758 118.700 -0.335 0.000 2.697 235 N HA 0.132 4.874 4.740 0.004 0.000 0.271 235 N C -0.750 174.662 175.510 -0.163 0.000 1.149 235 N CA -0.741 52.228 53.050 -0.135 0.000 0.939 235 N CB 1.083 39.368 38.487 -0.337 0.000 1.534 235 N HN 0.601 nan 8.380 nan 0.000 0.556 236 W N 2.966 124.302 121.300 0.061 0.000 2.357 236 W HA 0.155 4.804 4.660 -0.018 0.000 0.386 236 W C 1.215 177.730 176.519 -0.007 0.000 0.889 236 W CA -0.308 57.050 57.345 0.021 0.000 2.425 236 W CB 0.674 30.025 29.460 -0.182 0.000 1.244 236 W HN 0.594 nan 8.180 nan 0.000 0.646 237 S N -1.160 114.625 115.700 0.141 0.000 2.503 237 S HA 0.250 4.722 4.470 0.004 0.000 0.217 237 S C 1.749 176.287 174.600 -0.103 0.000 0.999 237 S CA 0.928 59.123 58.200 -0.009 0.000 0.914 237 S CB 0.462 63.607 63.200 -0.092 0.000 0.782 237 S HN 0.367 nan 8.310 nan 0.000 0.520 238 G N 0.235 108.910 108.800 -0.208 0.000 2.217 238 G HA2 -0.196 3.767 3.960 0.004 0.000 0.246 238 G HA3 -0.196 3.767 3.960 0.004 0.000 0.246 238 G C 0.167 174.625 174.900 -0.737 0.000 0.990 238 G CA 0.237 45.182 45.100 -0.257 0.000 0.627 238 G HN 0.693 nan 8.290 nan 0.000 0.522 239 T N 0.686 114.676 114.554 -0.939 0.000 2.809 239 T HA 0.574 4.927 4.350 0.004 0.000 0.284 239 T C -0.560 173.575 174.700 -0.941 0.000 0.992 239 T CA -0.293 61.357 62.100 -0.750 0.000 0.957 239 T CB 1.039 69.715 68.868 -0.320 0.000 0.942 239 T HN 0.235 nan 8.240 nan 0.000 0.439 240 Y N 1.194 121.460 120.300 -0.057 0.000 2.734 240 Y HA 0.240 4.796 4.550 0.010 0.000 0.278 240 Y C 1.640 177.649 175.900 0.183 0.000 1.108 240 Y CA -1.241 56.840 58.100 -0.033 0.000 1.211 240 Y CB -0.619 37.878 38.460 0.062 0.000 1.182 240 Y HN 0.625 nan 8.280 nan 0.000 0.547 241 T N -1.847 112.793 114.554 0.144 0.000 2.937 241 T HA 0.359 4.712 4.350 0.004 0.000 0.316 241 T C 1.431 176.286 174.700 0.259 0.000 1.079 241 T CA 0.797 62.987 62.100 0.151 0.000 1.131 241 T CB 1.011 69.919 68.868 0.068 0.000 1.000 241 T HN 0.936 nan 8.240 nan 0.000 0.549 242 G N 1.275 110.180 108.800 0.176 0.000 2.175 242 G HA2 0.180 4.143 3.960 0.004 0.000 0.244 242 G HA3 0.180 4.143 3.960 0.004 0.000 0.244 242 G C 0.487 175.410 174.900 0.039 0.000 0.982 242 G CA 0.074 45.256 45.100 0.135 0.000 0.641 242 G HN 1.794 nan 8.290 nan 0.000 0.527 243 G N -1.246 107.615 108.800 0.102 0.000 2.578 243 G HA2 0.644 4.606 3.960 0.004 0.000 0.302 243 G HA3 0.644 4.606 3.960 0.004 0.000 0.302 243 G C -1.031 173.886 174.900 0.029 0.000 1.243 243 G CA -0.579 44.463 45.100 -0.096 0.000 0.843 243 G HN 0.456 nan 8.290 nan 0.000 0.486 244 R N 0.376 120.848 120.500 -0.046 0.000 2.604 244 R HA 0.370 4.712 4.340 0.004 0.000 0.287 244 R C -1.106 175.116 176.300 -0.131 0.000 0.970 244 R CA -0.806 55.177 56.100 -0.195 0.000 0.946 244 R CB 1.916 31.817 30.300 -0.666 0.000 1.127 244 R HN 0.528 nan 8.270 nan 0.000 0.473 245 D N 2.974 123.265 120.400 -0.183 0.000 2.450 245 D HA 0.004 4.646 4.640 0.004 0.000 0.247 245 D C -1.588 174.483 176.300 -0.382 0.000 1.162 245 D CA -1.623 52.179 54.000 -0.331 0.000 0.879 245 D CB 1.361 42.119 40.800 -0.070 0.000 1.163 245 D HN 0.169 nan 8.370 nan 0.000 0.472 246 P HA -0.131 nan 4.420 nan 0.000 0.218 246 P C 1.116 178.568 177.300 0.254 0.000 1.146 246 P CA 0.992 64.027 63.100 -0.109 0.000 0.813 246 P CB 0.249 31.714 31.700 -0.392 0.000 0.778 247 R N -0.611 120.037 120.500 0.247 0.000 2.236 247 R HA 0.031 4.373 4.340 0.004 0.000 0.208 247 R C 2.133 178.556 176.300 0.205 0.000 1.036 247 R CA 1.391 57.727 56.100 0.394 0.000 1.001 247 R CB -0.965 29.487 30.300 0.254 0.000 0.896 247 R HN 0.353 nan 8.270 nan 0.000 0.464 248 S N -0.681 115.012 115.700 -0.011 0.000 2.461 248 S HA -0.070 4.403 4.470 0.004 0.000 0.228 248 S C 0.600 175.136 174.600 -0.105 0.000 1.005 248 S CA -0.359 57.765 58.200 -0.127 0.000 0.942 248 S CB -0.288 62.738 63.200 -0.290 0.000 0.776 248 S HN 0.236 nan 8.310 nan 0.000 0.514 249 W N 2.197 123.533 121.300 0.059 0.000 2.148 249 W HA 0.356 5.025 4.660 0.014 0.000 0.347 249 W C 1.172 177.611 176.519 -0.132 0.000 1.288 249 W CA -0.665 56.661 57.345 -0.033 0.000 1.252 249 W CB 0.251 29.749 29.460 0.063 0.000 1.156 249 W HN 0.130 nan 8.180 nan 0.000 0.580 250 N N 0.732 119.350 118.700 -0.137 0.000 2.159 250 N HA 0.251 4.994 4.740 0.004 0.000 0.217 250 N C 0.103 175.021 175.510 -0.986 0.000 1.223 250 N CA 0.268 53.091 53.050 -0.378 0.000 0.896 250 N CB 1.357 39.719 38.487 -0.208 0.000 1.064 250 N HN 0.561 nan 8.380 nan 0.000 0.518 251 G N -0.992 106.979 108.800 -1.383 0.000 2.430 251 G HA2 0.251 4.213 3.960 0.004 0.000 0.300 251 G HA3 0.251 4.213 3.960 0.004 0.000 0.300 251 G C -0.360 174.037 174.900 -0.838 0.000 1.330 251 G CA -0.279 43.844 45.100 -1.627 0.000 0.813 251 G HN -0.085 nan 8.290 nan 0.000 0.487 252 S N -0.737 114.805 115.700 -0.264 0.000 2.503 252 S HA 0.053 4.525 4.470 0.004 0.000 0.217 252 S C 2.384 176.957 174.600 -0.044 0.000 0.999 252 S CA 0.757 58.993 58.200 0.060 0.000 0.914 252 S CB 0.324 63.703 63.200 0.300 0.000 0.782 252 S HN 0.445 nan 8.310 nan 0.000 0.520 253 V N 2.540 122.411 119.914 -0.072 0.000 2.261 253 V HA -0.150 3.972 4.120 0.004 0.000 0.246 253 V C 2.507 178.587 176.094 -0.024 0.000 1.047 253 V CA 1.600 63.883 62.300 -0.028 0.000 1.015 253 V CB -0.541 31.267 31.823 -0.026 0.000 0.642 253 V HN 0.371 nan 8.190 nan 0.000 0.446 254 E N -0.068 120.113 120.200 -0.031 0.000 2.153 254 E HA -0.134 4.218 4.350 0.004 0.000 0.194 254 E C 2.130 178.721 176.600 -0.015 0.000 0.988 254 E CA 1.201 57.622 56.400 0.034 0.000 0.811 254 E CB -0.299 29.492 29.700 0.150 0.000 0.746 254 E HN 0.601 nan 8.360 nan 0.000 0.466 255 I N 0.629 121.079 120.570 -0.200 0.000 2.163 255 I HA -0.259 3.914 4.170 0.004 0.000 0.240 255 I C 2.453 178.506 176.117 -0.107 0.000 1.081 255 I CA 0.886 61.978 61.300 -0.348 0.000 1.353 255 I CB -0.275 37.372 38.000 -0.588 0.000 1.054 255 I HN 0.041 nan 8.210 nan 0.000 0.407 256 L N 0.419 121.613 121.223 -0.049 0.000 2.046 256 L HA -0.206 4.136 4.340 0.004 0.000 0.208 256 L C 2.556 179.520 176.870 0.157 0.000 1.077 256 L CA 1.486 56.367 54.840 0.069 0.000 0.747 256 L CB -0.532 41.560 42.059 0.054 0.000 0.896 256 L HN 0.174 nan 8.230 nan 0.000 0.432 257 K N -0.278 120.174 120.400 0.088 0.000 2.097 257 K HA -0.115 4.207 4.320 0.004 0.000 0.205 257 K C 1.845 178.494 176.600 0.082 0.000 1.050 257 K CA 1.129 57.464 56.287 0.080 0.000 0.938 257 K CB -0.145 32.387 32.500 0.053 0.000 0.718 257 K HN 0.245 nan 8.250 nan 0.000 0.442 258 N N 0.194 118.948 118.700 0.090 0.000 2.216 258 N HA -0.156 4.586 4.740 0.004 0.000 0.183 258 N C 1.205 176.787 175.510 0.121 0.000 1.017 258 N CA 0.754 53.859 53.050 0.091 0.000 0.861 258 N CB -0.272 38.280 38.487 0.108 0.000 0.986 258 N HN 0.279 nan 8.380 nan 0.000 0.428 259 W N 2.529 123.801 121.300 -0.046 0.000 2.333 259 W HA -0.138 4.536 4.660 0.023 0.000 0.316 259 W C 2.353 178.854 176.519 -0.030 0.000 1.215 259 W CA 1.682 59.001 57.345 -0.045 0.000 1.278 259 W CB -0.474 28.952 29.460 -0.056 0.000 1.154 259 W HN -0.026 nan 8.180 nan 0.000 0.486 260 K N 0.716 121.098 120.400 -0.030 0.000 2.002 260 K HA -0.271 4.052 4.320 0.004 0.000 0.209 260 K C 2.284 178.776 176.600 -0.180 0.000 1.048 260 K CA 2.051 58.203 56.287 -0.226 0.000 0.930 260 K CB -0.630 31.833 32.500 -0.061 0.000 0.714 260 K HN 0.071 nan 8.250 nan 0.000 0.438 261 K N 0.573 120.928 120.400 -0.075 0.000 2.281 261 K HA -0.086 4.236 4.320 0.004 0.000 0.203 261 K C 1.239 177.796 176.600 -0.072 0.000 1.046 261 K CA 1.587 57.839 56.287 -0.058 0.000 0.938 261 K CB -0.023 32.467 32.500 -0.016 0.000 0.737 261 K HN 0.290 nan 8.250 nan 0.000 0.458 262 S N -1.078 114.568 115.700 -0.090 0.000 2.614 262 S HA 0.199 4.671 4.470 0.004 0.000 0.230 262 S C 0.801 175.324 174.600 -0.129 0.000 0.952 262 S CA 0.053 58.205 58.200 -0.080 0.000 0.949 262 S CB 0.518 63.696 63.200 -0.038 0.000 0.786 262 S HN 0.412 nan 8.310 nan 0.000 0.478 263 G N 1.886 110.573 108.800 -0.189 0.000 2.198 263 G HA2 -0.245 3.717 3.960 0.004 0.000 0.257 263 G HA3 -0.245 3.717 3.960 0.004 0.000 0.257 263 G C 0.373 175.091 174.900 -0.303 0.000 1.042 263 G CA -0.111 44.862 45.100 -0.212 0.000 0.791 263 G HN 1.200 nan 8.290 nan 0.000 0.502 264 L N -2.167 118.731 121.223 -0.540 0.000 3.898 264 L HA -0.194 4.148 4.340 0.004 0.000 0.407 264 L C 0.847 177.566 176.870 -0.252 0.000 1.207 264 L CA 0.647 54.982 54.840 -0.842 0.000 0.931 264 L CB -2.362 39.274 42.059 -0.705 0.000 2.014 264 L HN 0.455 nan 8.230 nan 0.000 0.858 265 S N -0.575 115.064 115.700 -0.102 0.000 2.610 265 S HA 0.521 4.993 4.470 0.004 0.000 0.273 265 S C -1.932 172.790 174.600 0.203 0.000 1.274 265 S CA -0.976 57.259 58.200 0.059 0.000 1.023 265 S CB 1.301 64.511 63.200 0.017 0.000 0.962 265 S HN 0.017 nan 8.310 nan 0.000 0.523 266 P HA 0.076 nan 4.420 nan 0.000 0.265 266 P C -1.097 176.250 177.300 0.078 0.000 1.193 266 P CA -0.124 63.065 63.100 0.148 0.000 0.765 266 P CB 0.280 32.038 31.700 0.097 0.000 0.823 267 V N 5.685 125.622 119.914 0.038 0.000 2.385 267 V HA 0.218 4.340 4.120 0.004 0.000 0.269 267 V C 0.792 176.830 176.094 -0.094 0.000 1.043 267 V CA -0.144 62.146 62.300 -0.016 0.000 0.906 267 V CB 0.197 31.966 31.823 -0.090 0.000 0.995 267 V HN 0.441 nan 8.190 nan 0.000 0.467 268 R N 4.667 125.058 120.500 -0.182 0.000 2.294 268 R HA 0.653 4.996 4.340 0.004 0.000 0.319 268 R C -1.375 174.793 176.300 -0.219 0.000 0.984 268 R CA -0.338 55.409 56.100 -0.589 0.000 0.861 268 R CB 1.180 30.665 30.300 -1.358 0.000 1.104 268 R HN 0.622 nan 8.270 nan 0.000 0.451 269 Y N -0.318 120.094 120.300 0.187 0.000 2.638 269 Y HA 0.698 5.247 4.550 -0.001 0.000 0.339 269 Y C 0.645 176.484 175.900 -0.101 0.000 1.084 269 Y CA -0.978 57.121 58.100 -0.002 0.000 1.068 269 Y CB 2.467 40.892 38.460 -0.059 0.000 1.294 269 Y HN 0.674 nan 8.280 nan 0.000 0.480 270 G N 0.144 108.802 108.800 -0.236 0.000 2.574 270 G HA2 0.680 4.642 3.960 0.004 0.000 0.299 270 G HA3 0.680 4.642 3.960 0.004 0.000 0.299 270 G C -1.778 172.653 174.900 -0.782 0.000 1.298 270 G CA -0.684 44.032 45.100 -0.639 0.000 0.952 270 G HN 0.465 nan 8.290 nan 0.000 0.477 271 Q N -1.151 118.132 119.800 -0.862 0.000 2.633 271 Q HA 0.298 4.640 4.340 0.004 0.000 0.292 271 Q C 1.771 177.746 176.000 -0.042 0.000 1.089 271 Q CA -0.569 54.838 55.803 -0.661 0.000 0.811 271 Q CB 2.170 30.409 28.738 -0.832 0.000 1.472 271 Q HN 0.831 nan 8.270 nan 0.000 0.464 272 C N -0.695 119.010 119.300 0.676 0.000 2.391 272 C HA -0.167 4.295 4.460 0.004 0.000 0.276 272 C C 2.058 177.267 174.990 0.365 0.000 1.217 272 C CA 1.415 60.890 59.018 0.762 0.000 1.766 272 C CB -1.673 26.720 27.740 1.088 0.000 2.046 272 C HN 1.005 nan 8.230 nan 0.000 0.475 273 W N 1.891 123.327 121.300 0.226 0.000 2.465 273 W HA 0.208 4.835 4.660 -0.054 0.000 0.268 273 W C 1.723 178.020 176.519 -0.370 0.000 1.242 273 W CA 1.042 58.341 57.345 -0.077 0.000 1.248 273 W CB -1.039 28.355 29.460 -0.111 0.000 1.118 273 W HN 0.198 nan 8.180 nan 0.000 0.587 274 V N 0.933 120.333 119.914 -0.857 0.000 2.407 274 V HA -0.230 3.892 4.120 0.004 0.000 0.245 274 V C 2.183 177.997 176.094 -0.467 0.000 1.041 274 V CA 1.609 63.456 62.300 -0.755 0.000 1.040 274 V CB -1.160 30.197 31.823 -0.777 0.000 0.671 274 V HN 0.086 nan 8.190 nan 0.000 0.455 275 F N 1.203 120.993 119.950 -0.266 0.000 2.134 275 F HA -0.114 4.389 4.527 -0.039 0.000 0.299 275 F C 2.499 178.240 175.800 -0.099 0.000 1.097 275 F CA 1.581 59.503 58.000 -0.130 0.000 1.264 275 F CB -0.941 38.051 39.000 -0.013 0.000 1.001 275 F HN 0.085 nan 8.300 nan 0.000 0.479 276 A N 0.163 123.040 122.820 0.095 0.000 1.898 276 A HA -0.017 4.305 4.320 0.004 0.000 0.216 276 A C 2.560 180.113 177.584 -0.051 0.000 1.181 276 A CA 1.664 53.723 52.037 0.036 0.000 0.620 276 A CB -1.594 17.426 19.000 0.033 0.000 0.819 276 A HN 0.394 nan 8.150 nan 0.000 0.442 277 G N -1.057 107.559 108.800 -0.308 0.000 2.418 277 G HA2 -0.154 3.809 3.960 0.004 0.000 0.217 277 G HA3 -0.154 3.809 3.960 0.004 0.000 0.217 277 G C 1.547 176.570 174.900 0.205 0.000 1.158 277 G CA 1.677 46.554 45.100 -0.372 0.000 0.771 277 G HN 0.439 nan 8.290 nan 0.000 0.545 278 T N 0.944 115.565 114.554 0.111 0.000 2.857 278 T HA -0.063 4.289 4.350 0.004 0.000 0.266 278 T C 2.199 176.948 174.700 0.082 0.000 1.048 278 T CA 0.996 63.176 62.100 0.134 0.000 1.139 278 T CB -0.151 68.707 68.868 -0.016 0.000 0.874 278 T HN 0.137 nan 8.240 nan 0.000 0.455 279 L N 2.014 123.273 121.223 0.062 0.000 2.093 279 L HA 0.049 4.391 4.340 0.004 0.000 0.208 279 L C 2.013 178.909 176.870 0.043 0.000 1.085 279 L CA 1.603 56.474 54.840 0.052 0.000 0.755 279 L CB -0.939 41.163 42.059 0.072 0.000 0.904 279 L HN 0.212 nan 8.230 nan 0.000 0.435 280 N N -1.345 117.374 118.700 0.031 0.000 2.120 280 N HA -0.192 4.551 4.740 0.004 0.000 0.188 280 N C 1.501 176.944 175.510 -0.112 0.000 1.024 280 N CA 1.873 54.866 53.050 -0.095 0.000 0.852 280 N CB 0.123 38.456 38.487 -0.256 0.000 1.003 280 N HN 0.446 nan 8.380 nan 0.000 0.424 281 T N 0.842 115.423 114.554 0.045 0.000 2.708 281 T HA -0.085 4.268 4.350 0.004 0.000 0.266 281 T C 1.967 176.695 174.700 0.045 0.000 1.037 281 T CA 1.345 63.491 62.100 0.076 0.000 1.146 281 T CB -0.370 68.610 68.868 0.187 0.000 0.865 281 T HN 0.376 nan 8.240 nan 0.000 0.435 282 A N 1.275 124.127 122.820 0.052 0.000 1.883 282 A HA -0.026 4.296 4.320 0.004 0.000 0.217 282 A C 2.339 179.971 177.584 0.080 0.000 1.186 282 A CA 1.326 53.396 52.037 0.056 0.000 0.624 282 A CB -0.925 18.094 19.000 0.031 0.000 0.822 282 A HN 0.470 nan 8.150 nan 0.000 0.444 283 L N -1.228 120.037 121.223 0.070 0.000 2.017 283 L HA -0.201 4.142 4.340 0.004 0.000 0.208 283 L C 2.926 179.868 176.870 0.120 0.000 1.073 283 L CA 1.633 56.534 54.840 0.102 0.000 0.745 283 L CB -0.531 41.584 42.059 0.094 0.000 0.894 283 L HN 0.362 nan 8.230 nan 0.000 0.432 284 R N -0.104 120.433 120.500 0.061 0.000 2.092 284 R HA -0.134 4.209 4.340 0.004 0.000 0.231 284 R C 2.644 179.040 176.300 0.160 0.000 1.119 284 R CA 1.596 57.742 56.100 0.077 0.000 0.970 284 R CB -0.425 29.849 30.300 -0.044 0.000 0.864 284 R HN 0.496 nan 8.270 nan 0.000 0.440 285 S N 0.891 116.678 115.700 0.145 0.000 2.368 285 S HA -0.116 4.356 4.470 0.004 0.000 0.225 285 S C 1.850 176.624 174.600 0.291 0.000 1.030 285 S CA 0.962 59.322 58.200 0.267 0.000 0.999 285 S CB -0.201 63.108 63.200 0.180 0.000 0.844 285 S HN 0.091 nan 8.310 nan 0.000 0.459 286 L N 1.673 123.039 121.223 0.239 0.000 2.478 286 L HA 0.328 4.670 4.340 0.004 0.000 0.223 286 L C 2.025 179.150 176.870 0.426 0.000 1.140 286 L CA 1.104 56.113 54.840 0.283 0.000 0.842 286 L CB -1.150 41.092 42.059 0.305 0.000 0.953 286 L HN 0.728 nan 8.230 nan 0.000 0.452 287 G N -0.752 108.285 108.800 0.394 0.000 2.148 287 G HA2 -0.224 3.738 3.960 0.004 0.000 0.203 287 G HA3 -0.224 3.738 3.960 0.004 0.000 0.203 287 G C 0.332 175.423 174.900 0.318 0.000 0.993 287 G CA -0.181 45.173 45.100 0.424 0.000 0.661 287 G HN 0.240 nan 8.290 nan 0.000 0.518 288 I N 2.174 122.878 120.570 0.223 0.000 2.297 288 I HA 0.265 4.437 4.170 0.004 0.000 0.291 288 I C -2.007 174.208 176.117 0.164 0.000 1.033 288 I CA -2.304 59.065 61.300 0.116 0.000 1.253 288 I CB 1.414 39.444 38.000 0.051 0.000 1.396 288 I HN -0.152 nan 8.210 nan 0.000 0.476 289 P HA -0.011 nan 4.420 nan 0.000 0.262 289 P C -0.770 176.684 177.300 0.256 0.000 1.182 289 P CA 0.319 63.507 63.100 0.147 0.000 0.761 289 P CB 0.509 32.204 31.700 -0.007 0.000 0.795 290 S N 2.523 118.371 115.700 0.247 0.000 2.565 290 S HA 0.834 5.307 4.470 0.004 0.000 0.269 290 S C -0.951 173.668 174.600 0.032 0.000 1.153 290 S CA -1.070 57.257 58.200 0.212 0.000 0.835 290 S CB 2.420 65.697 63.200 0.129 0.000 1.122 290 S HN 0.591 nan 8.310 nan 0.000 0.462 291 R N -0.348 120.071 120.500 -0.135 0.000 2.831 291 R HA 0.843 5.185 4.340 0.004 0.000 0.266 291 R C -1.845 174.373 176.300 -0.137 0.000 1.051 291 R CA -1.141 54.858 56.100 -0.168 0.000 0.943 291 R CB 1.023 31.105 30.300 -0.363 0.000 1.228 291 R HN 0.440 nan 8.270 nan 0.000 0.467 292 V N 2.136 122.010 119.914 -0.068 0.000 2.435 292 V HA 0.413 4.535 4.120 0.004 0.000 0.290 292 V C -0.216 175.787 176.094 -0.151 0.000 1.030 292 V CA -0.821 61.440 62.300 -0.066 0.000 0.881 292 V CB 1.473 33.311 31.823 0.025 0.000 0.983 292 V HN 0.501 nan 8.190 nan 0.000 0.445 293 I N 3.538 123.927 120.570 -0.302 0.000 2.404 293 I HA 0.464 4.636 4.170 0.004 0.000 0.293 293 I C 0.225 175.926 176.117 -0.693 0.000 0.992 293 I CA -0.190 60.803 61.300 -0.511 0.000 1.149 293 I CB 1.840 39.391 38.000 -0.750 0.000 1.315 293 I HN 0.520 nan 8.210 nan 0.000 0.446 294 T N 5.158 119.398 114.554 -0.522 0.000 2.786 294 T HA 0.285 4.637 4.350 0.004 0.000 0.283 294 T C -0.104 174.229 174.700 -0.612 0.000 0.992 294 T CA -0.560 61.217 62.100 -0.538 0.000 0.954 294 T CB 0.918 69.558 68.868 -0.379 0.000 0.934 294 T HN 0.484 nan 8.240 nan 0.000 0.440 295 N N 2.524 120.817 118.700 -0.678 0.000 2.424 295 N HA 0.459 5.201 4.740 0.004 0.000 0.271 295 N C -1.291 174.094 175.510 -0.209 0.000 0.985 295 N CA -0.659 52.139 53.050 -0.421 0.000 0.921 295 N CB 0.352 38.575 38.487 -0.441 0.000 1.149 295 N HN 0.315 nan 8.380 nan 0.000 0.492 296 F N 2.241 122.241 119.950 0.083 0.000 2.385 296 F HA 0.325 4.868 4.527 0.027 0.000 0.336 296 F C 0.813 176.702 175.800 0.148 0.000 1.100 296 F CA -0.506 57.612 58.000 0.197 0.000 1.116 296 F CB 0.733 39.857 39.000 0.208 0.000 1.166 296 F HN 0.472 nan 8.300 nan 0.000 0.511 297 N N 0.771 119.687 118.700 0.360 0.000 2.726 297 N HA -0.222 4.520 4.740 0.004 0.000 0.253 297 N C -0.602 175.002 175.510 0.157 0.000 1.059 297 N CA 0.401 53.590 53.050 0.231 0.000 0.701 297 N CB -1.214 37.370 38.487 0.163 0.000 0.899 297 N HN 0.435 nan 8.380 nan 0.000 0.548 298 S N -0.484 115.323 115.700 0.178 0.000 2.465 298 S HA 0.693 5.165 4.470 0.004 0.000 0.279 298 S C 0.388 174.978 174.600 -0.017 0.000 1.201 298 S CA -0.119 58.132 58.200 0.085 0.000 1.053 298 S CB 0.487 63.774 63.200 0.144 0.000 0.953 298 S HN 0.478 nan 8.310 nan 0.000 0.488 299 A N 4.101 126.883 122.820 -0.063 0.000 2.310 299 A HA 0.417 4.739 4.320 0.004 0.000 0.299 299 A C -0.300 177.201 177.584 -0.137 0.000 1.147 299 A CA -0.535 51.466 52.037 -0.060 0.000 0.818 299 A CB 0.269 19.258 19.000 -0.018 0.000 1.096 299 A HN 1.013 nan 8.150 nan 0.000 0.495 300 H N 2.074 121.040 119.070 -0.173 0.000 2.697 300 H HA 0.259 4.821 4.556 0.011 0.000 0.270 300 H C -1.129 174.207 175.328 0.013 0.000 1.188 300 H CA -0.705 55.273 56.048 -0.116 0.000 1.322 300 H CB 0.348 30.048 29.762 -0.102 0.000 1.405 300 H HN 0.706 nan 8.280 nan 0.000 0.502 301 D N 3.353 123.888 120.400 0.225 0.000 2.343 301 D HA -0.033 4.609 4.640 0.004 0.000 0.255 301 D C 1.258 177.680 176.300 0.204 0.000 1.187 301 D CA 0.006 54.091 54.000 0.142 0.000 0.875 301 D CB 1.523 42.392 40.800 0.115 0.000 1.136 301 D HN 0.709 nan 8.370 nan 0.000 0.469 302 T N -0.294 114.270 114.554 0.017 0.000 3.022 302 T HA 0.024 4.376 4.350 0.004 0.000 0.250 302 T C 0.422 175.129 174.700 0.012 0.000 1.060 302 T CA -0.084 62.011 62.100 -0.007 0.000 1.013 302 T CB 0.085 68.863 68.868 -0.149 0.000 0.982 302 T HN 0.384 nan 8.240 nan 0.000 0.508 303 D N 0.755 121.166 120.400 0.018 0.000 2.696 303 D HA 0.175 4.818 4.640 0.004 0.000 0.269 303 D C 0.152 176.462 176.300 0.017 0.000 1.319 303 D CA -0.797 53.208 54.000 0.008 0.000 0.826 303 D CB -0.611 40.185 40.800 -0.007 0.000 1.086 303 D HN 0.269 nan 8.370 nan 0.000 0.481 304 R N 1.002 121.525 120.500 0.039 0.000 3.225 304 R HA -0.212 4.131 4.340 0.004 0.000 0.245 304 R C 0.005 176.307 176.300 0.003 0.000 0.928 304 R CA 0.957 57.073 56.100 0.027 0.000 0.632 304 R CB -1.996 28.308 30.300 0.007 0.000 1.038 304 R HN 0.465 nan 8.270 nan 0.000 0.461 305 N N 0.305 119.017 118.700 0.020 0.000 2.170 305 N HA 0.057 4.799 4.740 0.004 0.000 0.222 305 N C 0.370 175.897 175.510 0.028 0.000 1.218 305 N CA -0.057 53.000 53.050 0.012 0.000 0.889 305 N CB 0.346 38.854 38.487 0.034 0.000 1.083 305 N HN 0.375 nan 8.380 nan 0.000 0.520 306 L N -0.086 121.164 121.223 0.046 0.000 3.843 306 L HA -0.231 4.111 4.340 0.004 0.000 0.411 306 L C -0.326 176.683 176.870 0.231 0.000 1.205 306 L CA 0.674 55.581 54.840 0.113 0.000 0.945 306 L CB -2.426 39.589 42.059 -0.072 0.000 1.929 306 L HN 0.398 nan 8.230 nan 0.000 0.934 307 S N -0.492 115.305 115.700 0.163 0.000 2.536 307 S HA 0.800 5.272 4.470 0.004 0.000 0.271 307 S C -0.471 174.197 174.600 0.112 0.000 1.134 307 S CA -0.035 58.262 58.200 0.161 0.000 0.897 307 S CB 2.261 65.563 63.200 0.170 0.000 1.094 307 S HN 0.428 nan 8.310 nan 0.000 0.473 308 V N 1.034 121.006 119.914 0.097 0.000 2.914 308 V HA 0.769 4.892 4.120 0.004 0.000 0.314 308 V C -1.266 174.886 176.094 0.096 0.000 1.084 308 V CA -0.849 61.498 62.300 0.078 0.000 0.963 308 V CB 2.011 33.867 31.823 0.055 0.000 1.025 308 V HN 0.795 nan 8.190 nan 0.000 0.432 309 D N 1.814 122.273 120.400 0.098 0.000 2.256 309 D HA 0.602 5.245 4.640 0.004 0.000 0.246 309 D C -0.898 175.414 176.300 0.021 0.000 1.042 309 D CA -0.154 53.907 54.000 0.101 0.000 0.841 309 D CB 2.595 43.413 40.800 0.030 0.000 1.223 309 D HN 0.634 nan 8.370 nan 0.000 0.470 310 V N 3.116 123.003 119.914 -0.045 0.000 2.531 310 V HA 0.445 4.567 4.120 0.004 0.000 0.301 310 V C -1.713 174.281 176.094 -0.167 0.000 1.034 310 V CA -0.445 61.823 62.300 -0.053 0.000 0.865 310 V CB 0.946 32.777 31.823 0.013 0.000 0.995 310 V HN 0.382 nan 8.190 nan 0.000 0.424 311 Y N 5.868 126.074 120.300 -0.157 0.000 2.446 311 Y HA 0.770 5.322 4.550 0.003 0.000 0.338 311 Y C -0.603 175.059 175.900 -0.397 0.000 1.055 311 Y CA -0.594 57.426 58.100 -0.132 0.000 1.101 311 Y CB 2.012 40.386 38.460 -0.142 0.000 1.221 311 Y HN 0.633 nan 8.280 nan 0.000 0.460 312 Y N 0.316 120.687 120.300 0.117 0.000 2.562 312 Y HA 0.344 4.897 4.550 0.004 0.000 0.345 312 Y C -0.672 175.238 175.900 0.018 0.000 1.045 312 Y CA -1.506 56.613 58.100 0.031 0.000 1.028 312 Y CB 1.682 40.139 38.460 -0.006 0.000 1.297 312 Y HN 0.620 nan 8.280 nan 0.000 0.463 313 D N 0.327 120.827 120.400 0.168 0.000 2.440 313 D HA 0.374 5.017 4.640 0.004 0.000 0.258 313 D C -2.411 173.939 176.300 0.083 0.000 1.092 313 D CA -2.482 51.562 54.000 0.074 0.000 1.016 313 D CB 0.938 41.767 40.800 0.047 0.000 1.141 313 D HN 0.119 nan 8.370 nan 0.000 0.552 314 P HA -0.053 nan 4.420 nan 0.000 0.221 314 P C 1.086 178.437 177.300 0.086 0.000 1.145 314 P CA 1.077 64.243 63.100 0.110 0.000 0.795 314 P CB 0.068 31.857 31.700 0.149 0.000 0.775 315 M N -2.167 117.481 119.600 0.079 0.000 2.563 315 M HA 0.262 4.744 4.480 0.004 0.000 0.231 315 M C 1.142 177.497 176.300 0.092 0.000 1.136 315 M CA 0.594 55.935 55.300 0.069 0.000 1.026 315 M CB -1.282 31.354 32.600 0.059 0.000 1.597 315 M HN 0.107 nan 8.290 nan 0.000 0.495 316 G N 1.441 110.311 108.800 0.117 0.000 2.136 316 G HA2 -0.215 3.747 3.960 0.004 0.000 0.242 316 G HA3 -0.215 3.747 3.960 0.004 0.000 0.242 316 G C -0.027 175.026 174.900 0.254 0.000 0.989 316 G CA -0.224 44.965 45.100 0.149 0.000 0.682 316 G HN 0.461 nan 8.290 nan 0.000 0.522 317 N N 1.260 120.106 118.700 0.243 0.000 2.455 317 N HA 0.436 5.178 4.740 0.004 0.000 0.280 317 N C -2.771 172.764 175.510 0.042 0.000 1.055 317 N CA -1.123 52.055 53.050 0.213 0.000 0.961 317 N CB 1.726 40.336 38.487 0.205 0.000 1.121 317 N HN 0.069 nan 8.380 nan 0.000 0.476 318 P HA 0.206 nan 4.420 nan 0.000 0.275 318 P C -0.529 176.442 177.300 -0.550 0.000 1.228 318 P CA -0.372 62.406 63.100 -0.537 0.000 0.786 318 P CB 0.787 32.172 31.700 -0.524 0.000 0.927 319 L N 2.969 123.925 121.223 -0.446 0.000 2.322 319 L HA 0.229 4.571 4.340 0.004 0.000 0.279 319 L C 1.488 178.171 176.870 -0.312 0.000 1.036 319 L CA 0.330 54.983 54.840 -0.313 0.000 0.807 319 L CB 0.272 42.235 42.059 -0.160 0.000 1.226 319 L HN 0.390 nan 8.230 nan 0.000 0.433 320 D N 1.366 121.593 120.400 -0.288 0.000 2.158 320 D HA -0.211 4.432 4.640 0.004 0.000 0.197 320 D C 0.760 176.939 176.300 -0.202 0.000 0.995 320 D CA 1.147 55.007 54.000 -0.234 0.000 0.846 320 D CB 0.306 40.998 40.800 -0.180 0.000 0.941 320 D HN 0.410 nan 8.370 nan 0.000 0.456 321 K N 0.579 120.841 120.400 -0.230 0.000 2.160 321 K HA 0.067 4.389 4.320 0.004 0.000 0.263 321 K C 0.627 177.148 176.600 -0.131 0.000 1.120 321 K CA 0.614 56.735 56.287 -0.276 0.000 1.115 321 K CB -0.508 31.680 32.500 -0.519 0.000 0.971 321 K HN 0.219 nan 8.250 nan 0.000 0.400 322 G N 2.411 111.159 108.800 -0.086 0.000 2.136 322 G HA2 -0.315 3.647 3.960 0.004 0.000 0.242 322 G HA3 -0.315 3.647 3.960 0.004 0.000 0.242 322 G C 0.585 175.455 174.900 -0.050 0.000 0.989 322 G CA 0.545 45.641 45.100 -0.008 0.000 0.682 322 G HN 0.737 nan 8.290 nan 0.000 0.522 323 S N -0.107 115.521 115.700 -0.120 0.000 2.522 323 S HA 0.098 4.571 4.470 0.004 0.000 0.227 323 S C 1.398 175.932 174.600 -0.110 0.000 0.986 323 S CA 1.425 59.529 58.200 -0.160 0.000 0.929 323 S CB 0.053 63.114 63.200 -0.232 0.000 0.769 323 S HN 0.758 nan 8.310 nan 0.000 0.529 324 D N -0.130 120.222 120.400 -0.080 0.000 2.513 324 D HA 0.264 4.907 4.640 0.004 0.000 0.222 324 D C 0.896 177.277 176.300 0.135 0.000 1.210 324 D CA -0.156 53.808 54.000 -0.061 0.000 0.825 324 D CB -0.435 40.265 40.800 -0.167 0.000 1.037 324 D HN 0.257 nan 8.370 nan 0.000 0.506 325 S N -0.423 115.329 115.700 0.087 0.000 2.481 325 S HA 0.061 4.533 4.470 0.004 0.000 0.231 325 S C 0.714 175.412 174.600 0.163 0.000 0.996 325 S CA 0.241 58.503 58.200 0.103 0.000 0.942 325 S CB 0.296 63.514 63.200 0.030 0.000 0.768 325 S HN 0.221 nan 8.310 nan 0.000 0.520 326 V N 2.363 122.395 119.914 0.197 0.000 2.398 326 V HA 0.294 4.417 4.120 0.004 0.000 0.282 326 V C -1.079 175.206 176.094 0.319 0.000 1.014 326 V CA -1.027 61.397 62.300 0.206 0.000 0.838 326 V CB 0.591 32.490 31.823 0.127 0.000 1.018 326 V HN 0.367 nan 8.190 nan 0.000 0.432 327 W N 2.813 124.106 121.300 -0.012 0.000 2.190 327 W HA 0.348 5.002 4.660 -0.009 0.000 0.330 327 W C 1.596 178.172 176.519 0.095 0.000 1.299 327 W CA -0.849 56.477 57.345 -0.030 0.000 1.215 327 W CB 0.004 29.418 29.460 -0.077 0.000 1.147 327 W HN 0.491 nan 8.180 nan 0.000 0.563 328 N N 1.102 120.005 118.700 0.338 0.000 2.205 328 N HA -0.159 4.583 4.740 0.004 0.000 0.186 328 N C -0.136 175.726 175.510 0.587 0.000 1.015 328 N CA 1.390 54.701 53.050 0.434 0.000 0.862 328 N CB -0.046 38.722 38.487 0.469 0.000 0.986 328 N HN 0.383 nan 8.380 nan 0.000 0.429 329 F N -2.419 117.806 119.950 0.460 0.000 2.725 329 F HA 0.467 4.980 4.527 -0.024 0.000 0.309 329 F C -1.214 174.884 175.800 0.498 0.000 1.132 329 F CA -1.309 56.803 58.000 0.187 0.000 0.957 329 F CB 0.948 39.780 39.000 -0.280 0.000 1.286 329 F HN -0.189 nan 8.300 nan 0.000 0.440 330 H N 1.324 120.592 119.070 0.329 0.000 2.771 330 H HA 0.798 5.388 4.556 0.057 0.000 0.361 330 H C -2.025 173.421 175.328 0.196 0.000 1.108 330 H CA -1.006 55.250 56.048 0.347 0.000 1.201 330 H CB 2.123 31.944 29.762 0.098 0.000 1.681 330 H HN 0.728 nan 8.280 nan 0.000 0.534 331 V N 5.657 125.459 119.914 -0.187 0.000 2.547 331 V HA 0.509 4.631 4.120 0.004 0.000 0.299 331 V C -0.645 175.266 176.094 -0.306 0.000 1.040 331 V CA -0.358 61.775 62.300 -0.278 0.000 0.913 331 V CB 0.809 32.676 31.823 0.074 0.000 0.992 331 V HN 0.895 nan 8.190 nan 0.000 0.449 332 W N 3.095 124.241 121.300 -0.256 0.000 3.163 332 W HA 0.739 5.386 4.660 -0.021 0.000 0.395 332 W C -1.355 175.122 176.519 -0.071 0.000 1.100 332 W CA -1.001 56.251 57.345 -0.155 0.000 1.134 332 W CB 0.744 30.117 29.460 -0.146 0.000 1.496 332 W HN 0.391 nan 8.180 nan 0.000 0.605 333 N N -0.112 118.825 118.700 0.394 0.000 2.380 333 N HA 0.527 5.270 4.740 0.004 0.000 0.290 333 N C -1.736 173.949 175.510 0.291 0.000 1.236 333 N CA -1.068 52.111 53.050 0.216 0.000 0.780 333 N CB 2.199 40.766 38.487 0.135 0.000 1.438 333 N HN 0.442 nan 8.380 nan 0.000 0.491 334 E N -0.544 119.736 120.200 0.135 0.000 2.256 334 E HA 0.584 4.937 4.350 0.004 0.000 0.268 334 E C -0.861 175.913 176.600 0.289 0.000 0.877 334 E CA -0.982 55.522 56.400 0.174 0.000 0.757 334 E CB 2.106 31.786 29.700 -0.034 0.000 1.183 334 E HN 0.589 nan 8.360 nan 0.000 0.418 335 G N 1.946 110.913 108.800 0.279 0.000 2.420 335 G HA2 0.309 4.272 3.960 0.004 0.000 0.331 335 G HA3 0.309 4.272 3.960 0.004 0.000 0.331 335 G C -1.462 173.444 174.900 0.011 0.000 1.168 335 G CA -0.529 44.737 45.100 0.277 0.000 0.936 335 G HN 0.437 nan 8.290 nan 0.000 0.479 336 W N 4.294 125.473 121.300 -0.202 0.000 2.314 336 W HA 0.634 5.289 4.660 -0.008 0.000 0.310 336 W C -1.754 174.619 176.519 -0.243 0.000 1.075 336 W CA -1.199 55.799 57.345 -0.578 0.000 1.253 336 W CB 0.793 29.689 29.460 -0.941 0.000 1.238 336 W HN 0.445 nan 8.180 nan 0.000 0.440 337 F N 3.192 122.786 119.950 -0.593 0.000 2.746 337 F HA 0.403 4.929 4.527 -0.002 0.000 0.311 337 F C -0.692 174.853 175.800 -0.425 0.000 1.135 337 F CA -1.687 56.058 58.000 -0.424 0.000 0.954 337 F CB -0.411 38.457 39.000 -0.220 0.000 1.276 337 F HN 0.144 nan 8.300 nan 0.000 0.440 338 V N 0.250 120.145 119.914 -0.031 0.000 3.096 338 V HA 0.592 4.715 4.120 0.004 0.000 0.306 338 V C -0.049 176.107 176.094 0.104 0.000 1.088 338 V CA -0.571 61.700 62.300 -0.049 0.000 1.129 338 V CB 0.950 32.768 31.823 -0.008 0.000 1.014 338 V HN 0.871 nan 8.190 nan 0.000 0.486 339 R N 2.495 123.033 120.500 0.063 0.000 2.505 339 R HA 0.313 4.655 4.340 0.004 0.000 0.284 339 R C 1.300 177.653 176.300 0.089 0.000 1.324 339 R CA 0.453 56.624 56.100 0.118 0.000 1.432 339 R CB 0.759 31.123 30.300 0.106 0.000 1.107 339 R HN 1.092 nan 8.270 nan 0.000 0.587 340 S N 0.088 115.837 115.700 0.082 0.000 2.440 340 S HA -0.173 4.299 4.470 0.004 0.000 0.238 340 S C 1.127 175.760 174.600 0.055 0.000 1.010 340 S CA 1.426 59.662 58.200 0.061 0.000 0.972 340 S CB -0.002 63.232 63.200 0.056 0.000 0.774 340 S HN 0.511 nan 8.310 nan 0.000 0.501 341 D N 1.191 121.628 120.400 0.062 0.000 2.348 341 D HA 0.039 4.681 4.640 0.004 0.000 0.211 341 D C 1.618 177.918 176.300 -0.001 0.000 0.998 341 D CA 0.308 54.328 54.000 0.033 0.000 0.873 341 D CB -0.265 40.561 40.800 0.043 0.000 0.925 341 D HN 0.515 nan 8.370 nan 0.000 0.524 342 L N -1.019 120.220 121.223 0.025 0.000 2.577 342 L HA 0.448 4.790 4.340 0.004 0.000 0.225 342 L C 1.117 178.086 176.870 0.166 0.000 1.053 342 L CA 0.289 55.133 54.840 0.006 0.000 0.866 342 L CB 0.487 42.491 42.059 -0.093 0.000 1.132 342 L HN 0.246 nan 8.230 nan 0.000 0.486 343 G N -0.214 108.686 108.800 0.167 0.000 2.357 343 G HA2 -0.046 3.916 3.960 0.004 0.000 0.643 343 G HA3 -0.046 3.916 3.960 0.004 0.000 0.643 343 G C -2.668 172.286 174.900 0.090 0.000 1.358 343 G CA -0.755 44.432 45.100 0.146 0.000 0.986 343 G HN -0.225 nan 8.290 nan 0.000 0.620 344 P HA -0.025 nan 4.420 nan 0.000 0.221 344 P C 1.918 179.154 177.300 -0.108 0.000 1.145 344 P CA 2.088 65.167 63.100 -0.036 0.000 0.795 344 P CB 0.151 31.832 31.700 -0.032 0.000 0.775 345 S N -2.829 112.748 115.700 -0.206 0.000 2.558 345 S HA -0.014 4.458 4.470 0.004 0.000 0.217 345 S C 1.098 175.381 174.600 -0.529 0.000 0.975 345 S CA 0.068 58.034 58.200 -0.390 0.000 0.912 345 S CB -1.015 61.874 63.200 -0.519 0.000 0.776 345 S HN 0.174 nan 8.310 nan 0.000 0.526 346 Y N 1.947 122.201 120.300 -0.077 0.000 2.555 346 Y HA 0.483 5.034 4.550 0.002 0.000 0.259 346 Y C 1.561 177.365 175.900 -0.161 0.000 1.179 346 Y CA -0.641 57.401 58.100 -0.097 0.000 1.230 346 Y CB -0.013 38.407 38.460 -0.065 0.000 1.146 346 Y HN 0.380 nan 8.280 nan 0.000 0.526 347 G N -0.256 108.469 108.800 -0.124 0.000 2.580 347 G HA2 0.495 4.457 3.960 0.004 0.000 0.278 347 G HA3 0.495 4.457 3.960 0.004 0.000 0.278 347 G C 0.495 175.073 174.900 -0.537 0.000 1.212 347 G CA 0.373 45.299 45.100 -0.290 0.000 0.939 347 G HN 0.530 nan 8.290 nan 0.000 0.513 348 G N -1.222 106.970 108.800 -1.013 0.000 2.501 348 G HA2 -0.153 3.809 3.960 0.004 0.000 0.213 348 G HA3 -0.153 3.809 3.960 0.004 0.000 0.213 348 G C -0.336 173.854 174.900 -1.184 0.000 1.158 348 G CA -0.305 43.775 45.100 -1.700 0.000 1.079 348 G HN 0.785 nan 8.290 nan 0.000 0.586 349 W N 2.225 123.274 121.300 -0.419 0.000 2.216 349 W HA 0.577 5.255 4.660 0.030 0.000 0.326 349 W C 0.451 176.778 176.519 -0.320 0.000 1.319 349 W CA -0.157 57.061 57.345 -0.212 0.000 1.213 349 W CB 0.768 30.206 29.460 -0.038 0.000 1.171 349 W HN 0.355 nan 8.180 nan 0.000 0.557 350 Q N 2.805 122.565 119.800 -0.067 0.000 2.292 350 Q HA 0.287 4.629 4.340 0.004 0.000 0.270 350 Q C -0.674 175.344 176.000 0.030 0.000 1.024 350 Q CA -0.995 54.722 55.803 -0.145 0.000 0.768 350 Q CB 1.825 30.274 28.738 -0.482 0.000 1.250 350 Q HN 0.235 nan 8.270 nan 0.000 0.447 351 V N 3.836 123.790 119.914 0.067 0.000 2.585 351 V HA 0.152 4.274 4.120 0.004 0.000 0.296 351 V C 0.287 176.413 176.094 0.054 0.000 1.035 351 V CA 0.302 62.649 62.300 0.078 0.000 1.084 351 V CB 0.068 31.853 31.823 -0.064 0.000 0.953 351 V HN 0.548 nan 8.190 nan 0.000 0.483 352 L N 4.703 125.983 121.223 0.095 0.000 2.439 352 L HA 0.568 4.911 4.340 0.004 0.000 0.270 352 L C -0.984 175.945 176.870 0.098 0.000 0.972 352 L CA -0.370 54.522 54.840 0.086 0.000 0.836 352 L CB 2.198 44.333 42.059 0.126 0.000 1.255 352 L HN 0.550 nan 8.230 nan 0.000 0.404 353 D N 2.052 122.484 120.400 0.054 0.000 2.505 353 D HA 0.447 5.090 4.640 0.004 0.000 0.250 353 D C 0.255 176.586 176.300 0.051 0.000 1.164 353 D CA -0.288 53.770 54.000 0.096 0.000 0.870 353 D CB 2.449 43.302 40.800 0.088 0.000 1.160 353 D HN 0.579 nan 8.370 nan 0.000 0.549 354 A N 2.810 125.666 122.820 0.060 0.000 2.218 354 A HA 0.117 4.439 4.320 0.004 0.000 0.209 354 A C 1.003 178.444 177.584 -0.239 0.000 1.168 354 A CA 0.321 52.353 52.037 -0.009 0.000 0.804 354 A CB -0.042 19.014 19.000 0.093 0.000 0.834 354 A HN 0.470 nan 8.150 nan 0.000 0.482 355 T N 3.517 117.936 114.554 -0.224 0.000 2.834 355 T HA 0.306 4.658 4.350 0.004 0.000 0.298 355 T C -2.478 172.029 174.700 -0.321 0.000 0.966 355 T CA -0.512 61.306 62.100 -0.470 0.000 1.141 355 T CB 0.817 69.747 68.868 0.103 0.000 0.905 355 T HN 0.205 nan 8.240 nan 0.000 0.535 356 P HA 0.203 nan 4.420 nan 0.000 0.260 356 P C -0.046 177.083 177.300 -0.285 0.000 1.651 356 P CA -0.041 62.835 63.100 -0.373 0.000 1.139 356 P CB 0.598 31.827 31.700 -0.785 0.000 1.756 357 Q N 0.888 120.592 119.800 -0.159 0.000 2.514 357 Q HA 0.092 4.434 4.340 0.004 0.000 0.208 357 Q C 0.157 176.047 176.000 -0.183 0.000 0.938 357 Q CA 0.583 56.203 55.803 -0.306 0.000 0.892 357 Q CB 0.481 28.847 28.738 -0.619 0.000 1.050 357 Q HN 0.331 nan 8.270 nan 0.000 0.595 358 E N 0.581 120.519 120.200 -0.438 0.000 2.234 358 E HA 0.259 4.612 4.350 0.004 0.000 0.266 358 E C -1.297 175.027 176.600 -0.459 0.000 0.877 358 E CA -0.318 55.809 56.400 -0.456 0.000 0.758 358 E CB 1.153 30.310 29.700 -0.905 0.000 1.170 358 E HN -0.012 nan 8.360 nan 0.000 0.415 359 R N 1.807 121.965 120.500 -0.571 0.000 2.590 359 R HA 0.300 4.642 4.340 0.004 0.000 0.274 359 R C -0.473 175.596 176.300 -0.386 0.000 1.061 359 R CA 0.008 55.692 56.100 -0.692 0.000 1.081 359 R CB 0.977 30.850 30.300 -0.711 0.000 0.984 359 R HN 0.323 nan 8.270 nan 0.000 0.448 360 S N 2.032 117.552 115.700 -0.301 0.000 2.596 360 S HA 0.107 4.580 4.470 0.004 0.000 0.318 360 S C -0.470 174.052 174.600 -0.131 0.000 1.097 360 S CA -0.519 57.577 58.200 -0.173 0.000 1.080 360 S CB 0.740 63.865 63.200 -0.125 0.000 0.991 360 S HN 0.720 nan 8.310 nan 0.000 0.471 361 Q N 2.908 122.652 119.800 -0.094 0.000 2.475 361 Q HA -0.218 4.124 4.340 0.004 0.000 0.280 361 Q C 0.930 176.872 176.000 -0.095 0.000 1.234 361 Q CA 0.817 56.581 55.803 -0.065 0.000 0.873 361 Q CB -1.990 26.734 28.738 -0.023 0.000 1.256 361 Q HN 1.614 nan 8.270 nan 0.000 0.475 362 G N -2.154 106.558 108.800 -0.147 0.000 2.184 362 G HA2 -0.322 3.640 3.960 0.004 0.000 0.264 362 G HA3 -0.322 3.640 3.960 0.004 0.000 0.264 362 G C 0.167 174.938 174.900 -0.215 0.000 0.975 362 G CA 0.271 45.268 45.100 -0.171 0.000 0.642 362 G HN 0.409 nan 8.290 nan 0.000 0.536 363 V N 0.219 119.999 119.914 -0.222 0.000 2.769 363 V HA 0.644 4.767 4.120 0.004 0.000 0.312 363 V C 0.077 176.010 176.094 -0.268 0.000 1.061 363 V CA -0.974 61.213 62.300 -0.189 0.000 0.931 363 V CB 1.782 33.557 31.823 -0.079 0.000 1.010 363 V HN 0.175 nan 8.190 nan 0.000 0.433 364 F N 4.637 124.541 119.950 -0.077 0.000 2.600 364 F HA 0.350 4.878 4.527 0.002 0.000 0.345 364 F C 0.779 176.509 175.800 -0.117 0.000 1.271 364 F CA 0.185 58.117 58.000 -0.112 0.000 1.138 364 F CB 0.054 38.997 39.000 -0.095 0.000 1.449 364 F HN 0.569 nan 8.300 nan 0.000 0.645 365 Q N 2.107 121.891 119.800 -0.026 0.000 2.418 365 Q HA 0.685 5.027 4.340 0.004 0.000 0.282 365 Q C -1.779 174.168 176.000 -0.089 0.000 1.044 365 Q CA -1.060 54.708 55.803 -0.058 0.000 0.813 365 Q CB 2.333 31.016 28.738 -0.092 0.000 1.428 365 Q HN 0.403 nan 8.270 nan 0.000 0.402 366 C N 1.167 120.423 119.300 -0.074 0.000 2.716 366 C HA 0.851 5.313 4.460 0.004 0.000 0.366 366 C C 0.245 175.217 174.990 -0.031 0.000 1.073 366 C CA 1.179 60.165 59.018 -0.054 0.000 1.260 366 C CB 0.523 28.239 27.740 -0.041 0.000 1.755 366 C HN 1.398 nan 8.230 nan 0.000 0.475 367 G N 6.637 115.439 108.800 0.003 0.000 2.655 367 G HA2 0.021 3.984 3.960 0.004 0.000 0.680 367 G HA3 0.021 3.984 3.960 0.004 0.000 0.680 367 G C -3.232 171.627 174.900 -0.068 0.000 1.302 367 G CA -0.426 44.700 45.100 0.042 0.000 0.872 367 G HN 0.715 nan 8.290 nan 0.000 0.540 368 P HA 0.510 nan 4.420 nan 0.000 0.276 368 P C -0.379 177.062 177.300 0.236 0.000 1.230 368 P CA 0.608 63.827 63.100 0.199 0.000 0.776 368 P CB 1.477 33.388 31.700 0.352 0.000 0.888 369 A N 2.581 125.473 122.820 0.119 0.000 2.319 369 A HA 0.417 4.739 4.320 0.004 0.000 0.310 369 A C 0.300 177.899 177.584 0.025 0.000 1.152 369 A CA -0.713 51.370 52.037 0.077 0.000 0.783 369 A CB 0.706 19.737 19.000 0.053 0.000 1.184 369 A HN 0.477 nan 8.150 nan 0.000 0.474 370 S N 2.191 117.896 115.700 0.009 0.000 2.546 370 S HA 0.124 4.596 4.470 0.004 0.000 0.290 370 S C 1.360 175.960 174.600 -0.000 0.000 1.262 370 S CA -0.175 58.028 58.200 0.003 0.000 1.083 370 S CB 0.105 63.350 63.200 0.075 0.000 0.859 370 S HN 0.769 nan 8.310 nan 0.000 0.495 371 V N 7.325 127.202 119.914 -0.061 0.000 2.515 371 V HA -0.162 3.961 4.120 0.004 0.000 0.250 371 V C 2.107 178.133 176.094 -0.112 0.000 1.058 371 V CA 1.813 63.992 62.300 -0.201 0.000 1.064 371 V CB -0.666 30.951 31.823 -0.343 0.000 0.675 371 V HN 0.889 nan 8.190 nan 0.000 0.461 372 I N 0.793 121.351 120.570 -0.019 0.000 2.202 372 I HA -0.149 4.024 4.170 0.004 0.000 0.242 372 I C 2.602 178.806 176.117 0.145 0.000 1.091 372 I CA 1.725 63.042 61.300 0.028 0.000 1.368 372 I CB -0.908 37.090 38.000 -0.004 0.000 1.058 372 I HN 0.411 nan 8.210 nan 0.000 0.410 373 G N 0.446 109.403 108.800 0.263 0.000 2.422 373 G HA2 -0.165 3.797 3.960 0.004 0.000 0.218 373 G HA3 -0.165 3.797 3.960 0.004 0.000 0.218 373 G C 1.715 176.728 174.900 0.188 0.000 1.146 373 G CA 0.716 45.986 45.100 0.284 0.000 0.769 373 G HN 0.232 nan 8.290 nan 0.000 0.547 374 V N 0.626 120.635 119.914 0.159 0.000 2.295 374 V HA -0.177 3.945 4.120 0.004 0.000 0.246 374 V C 2.767 179.058 176.094 0.329 0.000 1.049 374 V CA 2.171 64.624 62.300 0.255 0.000 1.024 374 V CB -0.485 31.450 31.823 0.187 0.000 0.648 374 V HN 0.415 nan 8.190 nan 0.000 0.447 375 R N 0.136 120.753 120.500 0.194 0.000 2.081 375 R HA -0.163 4.179 4.340 0.004 0.000 0.235 375 R C 2.010 178.523 176.300 0.355 0.000 1.131 375 R CA 1.558 57.776 56.100 0.197 0.000 0.960 375 R CB -0.074 30.241 30.300 0.025 0.000 0.856 375 R HN 0.466 nan 8.270 nan 0.000 0.436 376 E N -0.815 119.572 120.200 0.312 0.000 2.502 376 E HA 0.058 4.410 4.350 0.004 0.000 0.194 376 E C 0.900 177.645 176.600 0.241 0.000 1.062 376 E CA 0.784 57.378 56.400 0.323 0.000 0.867 376 E CB 0.580 30.427 29.700 0.245 0.000 0.888 376 E HN 0.611 nan 8.360 nan 0.000 0.510 377 G N 2.307 111.265 108.800 0.264 0.000 2.147 377 G HA2 -0.223 3.739 3.960 0.004 0.000 0.244 377 G HA3 -0.223 3.739 3.960 0.004 0.000 0.244 377 G C -0.236 174.606 174.900 -0.097 0.000 1.005 377 G CA 0.168 45.278 45.100 0.016 0.000 0.713 377 G HN 0.165 nan 8.290 nan 0.000 0.515 378 D N 0.969 121.370 120.400 0.000 0.000 2.801 378 D HA 0.204 4.846 4.640 0.004 0.000 0.232 378 D C 2.047 178.275 176.300 -0.119 0.000 1.128 378 D CA 0.524 54.491 54.000 -0.055 0.000 1.003 378 D CB 0.339 41.132 40.800 -0.012 0.000 1.110 378 D HN 0.646 nan 8.370 nan 0.000 0.477 379 V N -0.355 119.461 119.914 -0.163 0.000 3.541 379 V HA -0.149 3.973 4.120 0.004 0.000 0.272 379 V C 1.833 177.840 176.094 -0.145 0.000 1.215 379 V CA 0.699 62.904 62.300 -0.158 0.000 1.176 379 V CB -0.413 31.269 31.823 -0.234 0.000 0.854 379 V HN 0.238 nan 8.190 nan 0.000 0.496 380 Q N 0.589 120.299 119.800 -0.151 0.000 2.398 380 Q HA 0.183 4.525 4.340 0.004 0.000 0.204 380 Q C 0.799 176.695 176.000 -0.174 0.000 0.932 380 Q CA 0.299 56.015 55.803 -0.144 0.000 0.916 380 Q CB -0.161 28.501 28.738 -0.127 0.000 1.024 380 Q HN 0.668 nan 8.270 nan 0.000 0.504 381 L N 2.745 123.843 121.223 -0.210 0.000 2.417 381 L HA 0.209 4.551 4.340 0.004 0.000 0.268 381 L C 0.305 177.007 176.870 -0.280 0.000 1.158 381 L CA -0.658 54.019 54.840 -0.271 0.000 0.819 381 L CB 0.264 42.104 42.059 -0.365 0.000 1.112 381 L HN 0.013 nan 8.230 nan 0.000 0.458 382 N N 1.454 119.904 118.700 -0.417 0.000 2.508 382 N HA 0.357 5.099 4.740 0.004 0.000 0.264 382 N C -0.903 174.414 175.510 -0.322 0.000 1.216 382 N CA 0.193 52.835 53.050 -0.680 0.000 0.943 382 N CB 0.819 38.326 38.487 -1.634 0.000 1.113 382 N HN 0.217 nan 8.380 nan 0.000 0.447 383 F N -0.361 119.573 119.950 -0.027 0.000 2.546 383 F HA 0.247 4.777 4.527 0.005 0.000 0.320 383 F C 0.620 176.409 175.800 -0.018 0.000 1.076 383 F CA -0.787 57.200 58.000 -0.022 0.000 0.928 383 F CB 1.122 40.116 39.000 -0.010 0.000 1.189 383 F HN 0.350 nan 8.300 nan 0.000 0.465 384 D N 1.883 122.377 120.400 0.157 0.000 2.751 384 D HA -0.192 4.450 4.640 0.004 0.000 0.233 384 D C 1.359 177.723 176.300 0.107 0.000 1.149 384 D CA 0.484 54.552 54.000 0.112 0.000 0.682 384 D CB -0.464 40.404 40.800 0.113 0.000 1.068 384 D HN 0.412 nan 8.370 nan 0.000 0.429 385 M N -1.460 118.172 119.600 0.054 0.000 2.117 385 M HA -0.091 4.392 4.480 0.004 0.000 0.262 385 M C -0.557 175.792 176.300 0.080 0.000 1.065 385 M CA 1.674 57.003 55.300 0.050 0.000 1.114 385 M CB -1.915 30.677 32.600 -0.014 0.000 1.361 385 M HN 0.083 nan 8.290 nan 0.000 0.408 386 P HA -0.176 nan 4.420 nan 0.000 0.215 386 P C 1.663 179.044 177.300 0.134 0.000 1.157 386 P CA 1.186 64.319 63.100 0.055 0.000 0.868 386 P CB -0.319 31.393 31.700 0.020 0.000 0.788 387 F N 0.112 120.060 119.950 -0.004 0.000 2.075 387 F HA -0.144 4.379 4.527 -0.007 0.000 0.297 387 F C 2.034 177.804 175.800 -0.049 0.000 1.113 387 F CA 1.464 59.447 58.000 -0.028 0.000 1.218 387 F CB -0.913 38.042 39.000 -0.075 0.000 0.984 387 F HN -0.245 nan 8.300 nan 0.000 0.472 388 I N -0.812 119.663 120.570 -0.158 0.000 2.226 388 I HA -0.286 3.886 4.170 0.004 0.000 0.245 388 I C 2.373 178.379 176.117 -0.185 0.000 1.100 388 I CA 1.464 62.563 61.300 -0.335 0.000 1.374 388 I CB -0.678 37.211 38.000 -0.186 0.000 1.057 388 I HN 0.192 nan 8.210 nan 0.000 0.413 389 F N 1.840 121.715 119.950 -0.126 0.000 2.095 389 F HA -0.286 4.244 4.527 0.005 0.000 0.298 389 F C 2.519 178.283 175.800 -0.060 0.000 1.104 389 F CA 1.683 59.657 58.000 -0.043 0.000 1.232 389 F CB -0.232 38.752 39.000 -0.026 0.000 0.987 389 F HN 0.010 nan 8.300 nan 0.000 0.475 390 A N -0.056 122.829 122.820 0.108 0.000 1.933 390 A HA -0.208 4.114 4.320 0.004 0.000 0.218 390 A C 2.088 179.586 177.584 -0.144 0.000 1.175 390 A CA 1.829 53.883 52.037 0.028 0.000 0.628 390 A CB -0.878 18.138 19.000 0.026 0.000 0.814 390 A HN 0.571 nan 8.150 nan 0.000 0.444 391 E N -0.415 119.588 120.200 -0.329 0.000 2.058 391 E HA -0.179 4.173 4.350 0.004 0.000 0.194 391 E C 1.979 178.494 176.600 -0.141 0.000 0.997 391 E CA 1.964 58.167 56.400 -0.327 0.000 0.801 391 E CB -0.314 29.084 29.700 -0.503 0.000 0.746 391 E HN 0.684 nan 8.360 nan 0.000 0.450 392 V N -1.899 117.924 119.914 -0.152 0.000 3.354 392 V HA 0.151 4.273 4.120 0.004 0.000 0.258 392 V C 0.929 176.930 176.094 -0.154 0.000 1.159 392 V CA 0.964 63.197 62.300 -0.111 0.000 1.125 392 V CB 0.199 31.963 31.823 -0.099 0.000 0.774 392 V HN 0.069 nan 8.190 nan 0.000 0.464 393 N N 0.425 118.993 118.700 -0.220 0.000 2.381 393 N HA 0.469 5.211 4.740 0.004 0.000 0.257 393 N C -0.012 175.555 175.510 0.096 0.000 1.409 393 N CA 0.443 53.404 53.050 -0.147 0.000 0.836 393 N CB 0.862 39.140 38.487 -0.348 0.000 1.384 393 N HN 0.649 nan 8.380 nan 0.000 0.490 394 A N -0.072 122.810 122.820 0.104 0.000 2.371 394 A HA 0.369 4.692 4.320 0.004 0.000 0.257 394 A C -0.099 177.571 177.584 0.143 0.000 1.089 394 A CA -0.121 52.058 52.037 0.236 0.000 0.794 394 A CB 0.291 19.370 19.000 0.132 0.000 1.029 394 A HN 0.279 nan 8.150 nan 0.000 0.488 395 D N 0.142 120.647 120.400 0.175 0.000 2.313 395 D HA 0.363 5.005 4.640 0.004 0.000 0.247 395 D C 0.201 176.509 176.300 0.013 0.000 1.094 395 D CA 0.227 54.221 54.000 -0.010 0.000 0.925 395 D CB 0.796 41.564 40.800 -0.053 0.000 1.188 395 D HN 0.520 nan 8.370 nan 0.000 0.430 396 R N 1.730 122.201 120.500 -0.049 0.000 2.393 396 R HA 0.497 4.839 4.340 0.004 0.000 0.315 396 R C -0.913 175.346 176.300 -0.069 0.000 0.952 396 R CA -0.536 55.541 56.100 -0.038 0.000 0.842 396 R CB 0.522 30.789 30.300 -0.055 0.000 1.163 396 R HN 0.383 nan 8.270 nan 0.000 0.450 397 I N 3.582 124.122 120.570 -0.050 0.000 2.354 397 I HA 0.249 4.421 4.170 0.004 0.000 0.292 397 I C -0.194 175.796 176.117 -0.212 0.000 0.989 397 I CA -0.708 60.489 61.300 -0.172 0.000 1.188 397 I CB 2.236 40.153 38.000 -0.140 0.000 1.342 397 I HN 0.555 nan 8.210 nan 0.000 0.457 398 T N 4.953 119.321 114.554 -0.310 0.000 2.767 398 T HA 0.391 4.744 4.350 0.004 0.000 0.284 398 T C -0.957 173.507 174.700 -0.393 0.000 0.973 398 T CA -0.299 61.681 62.100 -0.199 0.000 0.996 398 T CB 0.452 69.263 68.868 -0.097 0.000 0.927 398 T HN 0.313 nan 8.240 nan 0.000 0.456 399 W N 2.402 123.523 121.300 -0.299 0.000 2.706 399 W HA 0.652 5.313 4.660 0.002 0.000 0.346 399 W C -0.751 175.619 176.519 -0.249 0.000 1.071 399 W CA -1.016 56.119 57.345 -0.349 0.000 1.206 399 W CB 1.006 30.080 29.460 -0.643 0.000 1.413 399 W HN 0.173 nan 8.180 nan 0.000 0.542 400 L N 2.384 123.486 121.223 -0.202 0.000 2.325 400 L HA 0.496 4.838 4.340 0.004 0.000 0.278 400 L C -1.184 175.400 176.870 -0.477 0.000 1.023 400 L CA -1.172 53.356 54.840 -0.520 0.000 0.811 400 L CB 1.248 42.548 42.059 -1.265 0.000 1.249 400 L HN 0.627 nan 8.230 nan 0.000 0.431 401 Y N 2.265 122.335 120.300 -0.382 0.000 2.401 401 Y HA 0.298 4.850 4.550 0.004 0.000 0.330 401 Y C -0.967 174.881 175.900 -0.087 0.000 1.071 401 Y CA -0.763 57.227 58.100 -0.185 0.000 1.049 401 Y CB 1.790 40.247 38.460 -0.004 0.000 1.239 401 Y HN 0.534 nan 8.280 nan 0.000 0.437 402 D N 4.815 124.893 120.400 -0.536 0.000 2.460 402 D HA 0.110 4.752 4.640 0.004 0.000 0.232 402 D C 0.383 176.248 176.300 -0.725 0.000 1.079 402 D CA -0.048 53.718 54.000 -0.390 0.000 0.864 402 D CB 1.061 41.885 40.800 0.040 0.000 1.048 402 D HN 0.868 nan 8.370 nan 0.000 0.523 403 N N 1.813 120.064 118.700 -0.749 0.000 2.205 403 N HA -0.214 4.529 4.740 0.004 0.000 0.186 403 N C 1.678 177.061 175.510 -0.212 0.000 1.015 403 N CA 2.336 55.087 53.050 -0.499 0.000 0.862 403 N CB 0.171 38.543 38.487 -0.191 0.000 0.986 403 N HN 0.456 nan 8.380 nan 0.000 0.429 404 T N -4.297 110.167 114.554 -0.149 0.000 2.962 404 T HA -0.103 4.250 4.350 0.004 0.000 0.270 404 T C 1.652 176.325 174.700 -0.044 0.000 1.088 404 T CA 1.648 63.708 62.100 -0.067 0.000 1.127 404 T CB -0.703 68.141 68.868 -0.040 0.000 0.883 404 T HN 0.368 nan 8.240 nan 0.000 0.493 405 T N -3.505 111.016 114.554 -0.055 0.000 3.003 405 T HA 0.516 4.868 4.350 0.004 0.000 0.261 405 T C 1.897 176.613 174.700 0.026 0.000 1.003 405 T CA 0.618 62.718 62.100 -0.001 0.000 0.917 405 T CB -0.101 68.786 68.868 0.033 0.000 1.084 405 T HN 0.804 nan 8.240 nan 0.000 0.522 406 G N 1.844 110.635 108.800 -0.014 0.000 2.196 406 G HA2 -0.301 3.661 3.960 0.004 0.000 0.268 406 G HA3 -0.301 3.661 3.960 0.004 0.000 0.268 406 G C 0.049 175.111 174.900 0.269 0.000 0.975 406 G CA 0.504 45.683 45.100 0.132 0.000 0.648 406 G HN 0.680 nan 8.290 nan 0.000 0.538 407 K N 0.588 121.113 120.400 0.207 0.000 2.298 407 K HA 0.412 4.734 4.320 0.004 0.000 0.280 407 K C 0.302 177.258 176.600 0.593 0.000 1.032 407 K CA -0.041 56.472 56.287 0.378 0.000 0.958 407 K CB 0.751 33.470 32.500 0.365 0.000 0.978 407 K HN 0.426 nan 8.250 nan 0.000 0.472 408 Q N 3.813 123.986 119.800 0.622 0.000 2.347 408 Q HA 0.432 4.775 4.340 0.004 0.000 0.271 408 Q C -1.997 174.443 176.000 0.733 0.000 1.064 408 Q CA -0.915 55.236 55.803 0.581 0.000 0.800 408 Q CB 1.359 30.295 28.738 0.331 0.000 1.304 408 Q HN 0.674 nan 8.270 nan 0.000 0.438 409 W N 2.388 123.976 121.300 0.479 0.000 3.274 409 W HA 0.472 5.136 4.660 0.006 0.000 0.327 409 W C -1.586 175.095 176.519 0.270 0.000 1.172 409 W CA -1.053 56.517 57.345 0.376 0.000 1.217 409 W CB 0.708 30.285 29.460 0.194 0.000 1.376 409 W HN 0.504 nan 8.180 nan 0.000 0.507 410 K N 3.242 123.697 120.400 0.091 0.000 2.412 410 K HA -0.023 4.300 4.320 0.004 0.000 0.281 410 K C 0.553 177.019 176.600 -0.223 0.000 1.027 410 K CA 0.167 56.112 56.287 -0.569 0.000 0.989 410 K CB 0.716 32.738 32.500 -0.796 0.000 0.935 410 K HN 0.801 nan 8.250 nan 0.000 0.475 411 N N 1.552 120.068 118.700 -0.306 0.000 2.436 411 N HA -0.053 4.690 4.740 0.004 0.000 0.178 411 N C -0.719 174.698 175.510 -0.154 0.000 1.026 411 N CA 0.717 53.684 53.050 -0.138 0.000 0.880 411 N CB 0.417 38.827 38.487 -0.128 0.000 1.061 411 N HN 0.688 nan 8.380 nan 0.000 0.434 412 S N -0.895 114.663 115.700 -0.237 0.000 2.627 412 S HA 0.449 4.922 4.470 0.004 0.000 0.268 412 S C -1.355 173.117 174.600 -0.213 0.000 1.130 412 S CA -0.887 57.204 58.200 -0.181 0.000 0.819 412 S CB 1.968 65.099 63.200 -0.115 0.000 1.100 412 S HN -0.129 nan 8.310 nan 0.000 0.465 413 V N 2.169 121.991 119.914 -0.153 0.000 2.483 413 V HA 0.614 4.737 4.120 0.004 0.000 0.297 413 V C -0.816 175.211 176.094 -0.112 0.000 1.027 413 V CA -0.602 61.614 62.300 -0.140 0.000 0.855 413 V CB 1.611 33.363 31.823 -0.119 0.000 0.995 413 V HN 0.909 nan 8.190 nan 0.000 0.424 414 N N 2.544 121.163 118.700 -0.135 0.000 2.443 414 N HA 0.230 4.972 4.740 0.004 0.000 0.269 414 N C 0.579 175.966 175.510 -0.205 0.000 0.985 414 N CA -0.083 52.856 53.050 -0.184 0.000 0.921 414 N CB 2.139 40.468 38.487 -0.263 0.000 1.195 414 N HN 0.699 nan 8.380 nan 0.000 0.492 415 S N 2.092 117.697 115.700 -0.158 0.000 2.572 415 S HA 0.057 4.529 4.470 0.004 0.000 0.228 415 S C 0.850 175.384 174.600 -0.111 0.000 0.963 415 S CA -0.168 57.923 58.200 -0.181 0.000 0.939 415 S CB -0.401 62.669 63.200 -0.217 0.000 0.804 415 S HN 0.760 nan 8.310 nan 0.000 0.480 416 H N -2.280 116.733 119.070 -0.095 0.000 3.440 416 H HA 0.254 4.812 4.556 0.004 0.000 0.259 416 H C 1.490 176.779 175.328 -0.064 0.000 1.120 416 H CA 0.605 56.605 56.048 -0.079 0.000 1.191 416 H CB -0.309 29.411 29.762 -0.070 0.000 1.537 416 H HN 0.343 nan 8.280 nan 0.000 0.547 417 T N 1.319 115.582 114.554 -0.486 0.000 2.904 417 T HA 0.081 4.434 4.350 0.004 0.000 0.267 417 T C 0.967 175.613 174.700 -0.090 0.000 1.059 417 T CA 0.142 62.087 62.100 -0.259 0.000 1.137 417 T CB -0.235 68.463 68.868 -0.284 0.000 0.879 417 T HN 0.102 nan 8.240 nan 0.000 0.467 418 I N 1.680 122.202 120.570 -0.080 0.000 2.529 418 I HA 0.349 4.521 4.170 0.004 0.000 0.284 418 I C 1.399 177.501 176.117 -0.025 0.000 1.082 418 I CA 0.392 61.676 61.300 -0.026 0.000 1.406 418 I CB -0.055 37.932 38.000 -0.023 0.000 1.405 418 I HN 0.476 nan 8.210 nan 0.000 0.548 419 G N 6.771 115.572 108.800 0.001 0.000 2.531 419 G HA2 -0.231 3.731 3.960 0.004 0.000 0.283 419 G HA3 -0.231 3.731 3.960 0.004 0.000 0.283 419 G C -0.059 174.818 174.900 -0.038 0.000 1.068 419 G CA -0.510 44.581 45.100 -0.016 0.000 1.273 419 G HN 0.679 nan 8.290 nan 0.000 0.532 420 R N -0.420 120.075 120.500 -0.008 0.000 2.803 420 R HA 0.556 4.899 4.340 0.004 0.000 0.276 420 R C 0.415 176.712 176.300 -0.005 0.000 0.978 420 R CA -1.230 54.773 56.100 -0.162 0.000 0.939 420 R CB 1.202 31.320 30.300 -0.304 0.000 1.179 420 R HN 0.481 nan 8.270 nan 0.000 0.472 421 Y N 0.374 120.701 120.300 0.044 0.000 3.054 421 Y HA -0.251 4.298 4.550 -0.001 0.000 0.210 421 Y C 0.216 176.184 175.900 0.113 0.000 1.212 421 Y CA -0.251 57.856 58.100 0.012 0.000 1.118 421 Y CB -1.667 36.697 38.460 -0.160 0.000 1.292 421 Y HN 0.471 nan 8.280 nan 0.000 0.533 422 I N 1.219 121.855 120.570 0.109 0.000 2.664 422 I HA -0.038 4.134 4.170 0.004 0.000 0.284 422 I C 0.568 176.662 176.117 -0.038 0.000 1.154 422 I CA 0.839 62.114 61.300 -0.042 0.000 1.402 422 I CB 0.226 38.132 38.000 -0.157 0.000 1.395 422 I HN 0.213 nan 8.210 nan 0.000 0.545 423 S N 4.161 119.817 115.700 -0.074 0.000 2.599 423 S HA 0.694 5.166 4.470 0.004 0.000 0.294 423 S C -0.224 174.339 174.600 -0.061 0.000 1.094 423 S CA -0.668 57.457 58.200 -0.125 0.000 0.931 423 S CB 2.529 65.550 63.200 -0.299 0.000 1.093 423 S HN 0.690 nan 8.310 nan 0.000 0.488 424 T N 0.848 115.396 114.554 -0.009 0.000 2.894 424 T HA 0.396 4.748 4.350 0.004 0.000 0.309 424 T C -1.358 173.521 174.700 0.298 0.000 1.208 424 T CA -0.767 61.410 62.100 0.128 0.000 1.016 424 T CB 1.211 70.058 68.868 -0.035 0.000 1.192 424 T HN 0.604 nan 8.240 nan 0.000 0.491 425 K N 2.321 122.936 120.400 0.359 0.000 2.448 425 K HA 0.533 4.856 4.320 0.004 0.000 0.278 425 K C 0.304 177.022 176.600 0.197 0.000 1.009 425 K CA -0.308 56.172 56.287 0.321 0.000 0.995 425 K CB 0.407 33.011 32.500 0.174 0.000 0.917 425 K HN 0.692 nan 8.250 nan 0.000 0.481 426 A N 3.380 126.294 122.820 0.157 0.000 2.366 426 A HA 0.177 4.499 4.320 0.004 0.000 0.249 426 A C -0.276 177.329 177.584 0.035 0.000 1.084 426 A CA -0.588 51.499 52.037 0.084 0.000 0.794 426 A CB 0.554 19.590 19.000 0.061 0.000 1.034 426 A HN 0.570 nan 8.150 nan 0.000 0.491 427 V N 1.849 121.751 119.914 -0.020 0.000 2.485 427 V HA 0.396 4.519 4.120 0.004 0.000 0.287 427 V C 1.588 177.639 176.094 -0.072 0.000 1.022 427 V CA 1.613 63.840 62.300 -0.121 0.000 1.067 427 V CB -0.145 31.572 31.823 -0.176 0.000 0.967 427 V HN 1.902 nan 8.190 nan 0.000 0.479 428 G N 4.030 112.788 108.800 -0.070 0.000 2.162 428 G HA2 -0.225 3.738 3.960 0.004 0.000 0.260 428 G HA3 -0.225 3.738 3.960 0.004 0.000 0.260 428 G C 0.219 175.115 174.900 -0.005 0.000 0.976 428 G CA 0.664 45.744 45.100 -0.034 0.000 0.655 428 G HN 1.535 nan 8.290 nan 0.000 0.533 429 S N -2.040 113.665 115.700 0.009 0.000 2.656 429 S HA 0.641 5.113 4.470 0.004 0.000 0.273 429 S C 0.110 174.735 174.600 0.041 0.000 1.168 429 S CA -0.103 58.110 58.200 0.021 0.000 0.817 429 S CB 1.205 64.417 63.200 0.020 0.000 1.146 429 S HN 0.021 nan 8.310 nan 0.000 0.475 430 N N 0.794 119.520 118.700 0.042 0.000 2.268 430 N HA 0.375 5.117 4.740 0.004 0.000 0.204 430 N C 0.459 176.049 175.510 0.134 0.000 1.124 430 N CA 0.346 53.429 53.050 0.056 0.000 0.838 430 N CB 0.251 38.745 38.487 0.011 0.000 0.994 430 N HN 0.818 nan 8.380 nan 0.000 0.489 431 A N 0.726 123.617 122.820 0.118 0.000 2.406 431 A HA 0.198 4.520 4.320 0.004 0.000 0.243 431 A C 0.657 178.365 177.584 0.206 0.000 1.082 431 A CA -0.294 51.817 52.037 0.123 0.000 0.786 431 A CB 0.440 19.472 19.000 0.053 0.000 1.029 431 A HN 0.271 nan 8.150 nan 0.000 0.495 432 R N 1.023 121.565 120.500 0.069 0.000 2.221 432 R HA 0.425 4.767 4.340 0.004 0.000 0.327 432 R C -0.697 175.494 176.300 -0.182 0.000 1.033 432 R CA -0.455 55.498 56.100 -0.244 0.000 0.887 432 R CB 0.481 30.305 30.300 -0.792 0.000 1.057 432 R HN 0.699 nan 8.270 nan 0.000 0.455 433 M N 4.442 123.973 119.600 -0.115 0.000 2.113 433 M HA 0.185 4.667 4.480 0.004 0.000 0.352 433 M C -1.035 175.208 176.300 -0.095 0.000 1.170 433 M CA -0.457 54.807 55.300 -0.060 0.000 1.053 433 M CB 1.205 33.812 32.600 0.012 0.000 1.601 433 M HN 0.457 nan 8.290 nan 0.000 0.459 434 D N 4.339 124.697 120.400 -0.070 0.000 2.280 434 D HA 0.265 4.907 4.640 0.004 0.000 0.243 434 D C 0.049 176.349 176.300 0.001 0.000 1.129 434 D CA -0.019 53.958 54.000 -0.038 0.000 0.848 434 D CB 1.084 41.879 40.800 -0.007 0.000 1.107 434 D HN 0.614 nan 8.370 nan 0.000 0.471 435 V N 1.500 121.426 119.914 0.019 0.000 3.006 435 V HA 0.157 4.279 4.120 0.004 0.000 0.357 435 V C 1.425 177.601 176.094 0.136 0.000 1.377 435 V CA -0.285 62.056 62.300 0.067 0.000 1.198 435 V CB 0.013 31.878 31.823 0.070 0.000 1.216 435 V HN 0.415 nan 8.190 nan 0.000 0.520 436 T N 2.193 116.797 114.554 0.083 0.000 2.720 436 T HA -0.204 4.148 4.350 0.004 0.000 0.268 436 T C 1.624 176.381 174.700 0.095 0.000 1.037 436 T CA 2.478 64.627 62.100 0.083 0.000 1.144 436 T CB -0.407 68.470 68.868 0.014 0.000 0.864 436 T HN 0.897 nan 8.240 nan 0.000 0.444 437 D N 1.192 121.619 120.400 0.046 0.000 2.309 437 D HA -0.131 4.511 4.640 0.004 0.000 0.212 437 D C 1.716 178.003 176.300 -0.022 0.000 0.968 437 D CA 0.820 54.819 54.000 -0.002 0.000 0.882 437 D CB -0.137 40.655 40.800 -0.014 0.000 0.918 437 D HN 0.221 nan 8.370 nan 0.000 0.503 438 K N -0.372 120.049 120.400 0.034 0.000 2.243 438 K HA -0.024 4.298 4.320 0.004 0.000 0.201 438 K C 1.529 178.085 176.600 -0.073 0.000 1.051 438 K CA 0.413 56.684 56.287 -0.025 0.000 0.970 438 K CB -0.287 32.201 32.500 -0.019 0.000 0.755 438 K HN 0.328 nan 8.250 nan 0.000 0.465 439 Y N 1.276 121.577 120.300 0.000 0.000 2.500 439 Y HA 0.029 4.576 4.550 -0.005 0.000 0.270 439 Y C 0.436 176.328 175.900 -0.014 0.000 1.134 439 Y CA 0.080 58.190 58.100 0.016 0.000 1.293 439 Y CB 0.506 38.992 38.460 0.043 0.000 1.063 439 Y HN -0.024 nan 8.280 nan 0.000 0.534 440 K N -2.691 117.768 120.400 0.097 0.000 2.597 440 K HA 0.299 4.621 4.320 0.004 0.000 0.282 440 K C -1.752 174.858 176.600 0.017 0.000 0.975 440 K CA -0.974 55.362 56.287 0.081 0.000 0.867 440 K CB 0.687 33.228 32.500 0.070 0.000 1.465 440 K HN -0.224 nan 8.250 nan 0.000 0.417 441 Y N 0.856 121.200 120.300 0.074 0.000 2.314 441 Y HA 0.224 4.777 4.550 0.006 0.000 0.334 441 Y C -1.940 173.985 175.900 0.041 0.000 1.266 441 Y CA -1.514 56.622 58.100 0.060 0.000 1.391 441 Y CB 0.416 38.918 38.460 0.069 0.000 1.306 441 Y HN 0.448 nan 8.280 nan 0.000 0.558 442 P HA -0.073 nan 4.420 nan 0.000 0.262 442 P C -0.726 176.621 177.300 0.079 0.000 1.182 442 P CA 0.273 63.426 63.100 0.089 0.000 0.761 442 P CB 0.420 32.165 31.700 0.074 0.000 0.795 443 E N 2.257 122.480 120.200 0.039 0.000 2.415 443 E HA 0.185 4.538 4.350 0.004 0.000 0.263 443 E C 1.584 178.188 176.600 0.006 0.000 0.995 443 E CA 1.249 57.665 56.400 0.026 0.000 0.915 443 E CB 0.085 29.796 29.700 0.018 0.000 0.951 443 E HN 0.782 nan 8.360 nan 0.000 0.449 444 G N 2.558 111.358 108.800 0.001 0.000 2.232 444 G HA2 -0.291 3.672 3.960 0.004 0.000 0.226 444 G HA3 -0.291 3.672 3.960 0.004 0.000 0.226 444 G C 0.430 175.331 174.900 0.001 0.000 0.996 444 G CA 0.306 45.397 45.100 -0.016 0.000 0.626 444 G HN 0.692 nan 8.290 nan 0.000 0.509 445 S N 0.255 115.970 115.700 0.025 0.000 2.632 445 S HA 0.580 5.052 4.470 0.004 0.000 0.271 445 S C 0.812 175.421 174.600 0.015 0.000 1.260 445 S CA 0.311 58.529 58.200 0.031 0.000 1.010 445 S CB 1.810 65.052 63.200 0.070 0.000 0.965 445 S HN 0.046 nan 8.310 nan 0.000 0.534 446 D N 1.048 121.447 120.400 -0.001 0.000 2.144 446 D HA -0.078 4.565 4.640 0.004 0.000 0.200 446 D C 1.893 178.167 176.300 -0.044 0.000 0.978 446 D CA 1.277 55.268 54.000 -0.016 0.000 0.833 446 D CB -0.276 40.512 40.800 -0.019 0.000 0.961 446 D HN 0.589 nan 8.370 nan 0.000 0.470 447 Q N 0.876 120.620 119.800 -0.093 0.000 2.061 447 Q HA -0.161 4.181 4.340 0.004 0.000 0.204 447 Q C 1.991 177.879 176.000 -0.187 0.000 0.984 447 Q CA 1.024 56.660 55.803 -0.278 0.000 0.846 447 Q CB -0.374 28.032 28.738 -0.554 0.000 0.902 447 Q HN 0.274 nan 8.270 nan 0.000 0.421 448 E N 0.585 120.785 120.200 0.001 0.000 2.070 448 E HA -0.252 4.101 4.350 0.004 0.000 0.197 448 E C 1.966 178.649 176.600 0.138 0.000 1.004 448 E CA 1.410 57.889 56.400 0.131 0.000 0.805 448 E CB 0.046 29.823 29.700 0.128 0.000 0.744 448 E HN 0.109 nan 8.360 nan 0.000 0.451 449 R N 0.311 120.856 120.500 0.076 0.000 2.090 449 R HA -0.024 4.318 4.340 0.004 0.000 0.228 449 R C 2.549 178.936 176.300 0.145 0.000 1.110 449 R CA 1.474 57.636 56.100 0.103 0.000 0.973 449 R CB -0.107 30.213 30.300 0.035 0.000 0.869 449 R HN 0.259 nan 8.270 nan 0.000 0.440 450 Q N -0.823 119.010 119.800 0.056 0.000 2.050 450 Q HA -0.131 4.212 4.340 0.004 0.000 0.202 450 Q C 1.984 178.016 176.000 0.053 0.000 0.980 450 Q CA 1.796 57.615 55.803 0.028 0.000 0.840 450 Q CB -0.044 28.666 28.738 -0.047 0.000 0.898 450 Q HN 0.164 nan 8.270 nan 0.000 0.424 451 V N 0.567 120.521 119.914 0.067 0.000 2.343 451 V HA -0.249 3.873 4.120 0.004 0.000 0.247 451 V C 1.909 178.112 176.094 0.183 0.000 1.051 451 V CA 1.732 64.106 62.300 0.123 0.000 1.036 451 V CB -0.639 31.320 31.823 0.228 0.000 0.654 451 V HN 0.302 nan 8.190 nan 0.000 0.451 452 F N 1.043 121.092 119.950 0.165 0.000 2.065 452 F HA -0.252 4.276 4.527 0.002 0.000 0.298 452 F C 2.647 178.475 175.800 0.047 0.000 1.112 452 F CA 2.018 60.133 58.000 0.191 0.000 1.212 452 F CB -0.273 38.831 39.000 0.174 0.000 0.975 452 F HN 0.108 nan 8.300 nan 0.000 0.476 453 Q N 0.702 120.609 119.800 0.179 0.000 2.124 453 Q HA -0.242 4.100 4.340 0.004 0.000 0.202 453 Q C 2.266 178.220 176.000 -0.076 0.000 0.977 453 Q CA 1.837 57.669 55.803 0.048 0.000 0.850 453 Q CB -0.754 28.038 28.738 0.089 0.000 0.901 453 Q HN 0.533 nan 8.270 nan 0.000 0.429 454 K N 0.446 120.806 120.400 -0.067 0.000 2.009 454 K HA -0.125 4.197 4.320 0.004 0.000 0.210 454 K C 2.023 178.503 176.600 -0.200 0.000 1.049 454 K CA 1.410 57.635 56.287 -0.103 0.000 0.929 454 K CB -0.123 32.336 32.500 -0.068 0.000 0.714 454 K HN 0.116 nan 8.250 nan 0.000 0.440 455 A N 1.381 124.002 122.820 -0.331 0.000 1.902 455 A HA -0.147 4.175 4.320 0.004 0.000 0.217 455 A C 2.082 179.406 177.584 -0.434 0.000 1.181 455 A CA 1.432 53.157 52.037 -0.520 0.000 0.623 455 A CB -0.658 17.686 19.000 -1.094 0.000 0.818 455 A HN 0.430 nan 8.150 nan 0.000 0.443 456 L N 0.195 121.152 121.223 -0.444 0.000 2.083 456 L HA -0.012 4.331 4.340 0.004 0.000 0.209 456 L C 2.315 179.066 176.870 -0.199 0.000 1.083 456 L CA 2.250 56.885 54.840 -0.342 0.000 0.752 456 L CB -1.024 40.817 42.059 -0.365 0.000 0.899 456 L HN 0.287 nan 8.230 nan 0.000 0.433 457 G N -0.894 107.807 108.800 -0.166 0.000 2.422 457 G HA2 -0.243 3.719 3.960 0.004 0.000 0.218 457 G HA3 -0.243 3.719 3.960 0.004 0.000 0.218 457 G C 1.674 176.508 174.900 -0.110 0.000 1.140 457 G CA 0.689 45.724 45.100 -0.108 0.000 0.775 457 G HN 0.420 nan 8.290 nan 0.000 0.545 458 K N -0.317 119.998 120.400 -0.142 0.000 2.211 458 K HA 0.162 4.484 4.320 0.004 0.000 0.203 458 K C 2.274 178.801 176.600 -0.121 0.000 1.050 458 K CA 0.459 56.668 56.287 -0.130 0.000 0.945 458 K CB -0.098 32.308 32.500 -0.157 0.000 0.732 458 K HN 0.290 nan 8.250 nan 0.000 0.451 459 L N 0.069 121.209 121.223 -0.137 0.000 2.249 459 L HA 0.011 4.353 4.340 0.004 0.000 0.207 459 L C 0.268 177.089 176.870 -0.081 0.000 1.090 459 L CA 0.728 55.501 54.840 -0.111 0.000 0.802 459 L CB 0.215 42.198 42.059 -0.127 0.000 0.947 459 L HN -0.059 nan 8.230 nan 0.000 0.453 460 K N 0.238 120.589 120.400 -0.081 0.000 2.803 460 K HA 0.341 4.663 4.320 0.004 0.000 0.229 460 K C -2.427 174.143 176.600 -0.050 0.000 1.084 460 K CA -1.268 54.985 56.287 -0.055 0.000 1.063 460 K CB 1.593 34.066 32.500 -0.044 0.000 1.254 460 K HN -0.165 nan 8.250 nan 0.000 0.551 480 P HA 0.169 nan 4.420 nan 0.000 0.265 480 P C -0.059 177.242 177.300 0.002 0.000 1.193 480 P CA 0.256 63.357 63.100 0.001 0.000 0.765 480 P CB 1.340 33.040 31.700 0.000 0.000 0.823 481 S N 1.338 117.040 115.700 0.003 0.000 2.436 481 S HA 0.033 4.505 4.470 0.004 0.000 0.228 481 S C 0.880 175.483 174.600 0.006 0.000 1.014 481 S CA 0.601 58.803 58.200 0.004 0.000 0.950 481 S CB -0.029 63.174 63.200 0.005 0.000 0.784 481 S HN 0.363 nan 8.310 nan 0.000 0.504 482 I N 2.694 123.268 120.570 0.006 0.000 2.404 482 I HA 0.472 4.645 4.170 0.004 0.000 0.293 482 I C -0.249 175.872 176.117 0.005 0.000 0.992 482 I CA -1.127 60.177 61.300 0.008 0.000 1.149 482 I CB 1.276 39.282 38.000 0.009 0.000 1.315 482 I HN 0.130 nan 8.210 nan 0.000 0.446 483 I N 2.041 122.615 120.570 0.007 0.000 2.608 483 I HA 0.963 5.135 4.170 0.004 0.000 0.295 483 I C -0.119 176.003 176.117 0.009 0.000 1.049 483 I CA -0.535 60.768 61.300 0.005 0.000 1.063 483 I CB 2.330 40.333 38.000 0.005 0.000 1.248 483 I HN 0.543 nan 8.210 nan 0.000 0.424 484 G N 3.199 112.003 108.800 0.007 0.000 2.605 484 G HA2 0.708 4.670 3.960 0.004 0.000 0.296 484 G HA3 0.708 4.670 3.960 0.004 0.000 0.296 484 G C -1.762 173.146 174.900 0.014 0.000 1.304 484 G CA -0.744 44.363 45.100 0.012 0.000 0.941 484 G HN 0.748 nan 8.290 nan 0.000 0.475 485 K N 0.246 120.659 120.400 0.021 0.000 2.543 485 K HA 0.537 4.860 4.320 0.004 0.000 0.255 485 K C -1.628 174.991 176.600 0.031 0.000 0.934 485 K CA -0.605 55.697 56.287 0.024 0.000 0.810 485 K CB 1.566 34.079 32.500 0.022 0.000 1.315 485 K HN 0.352 nan 8.250 nan 0.000 0.433 486 L N 4.424 125.666 121.223 0.033 0.000 2.282 486 L HA 0.548 4.890 4.340 0.004 0.000 0.288 486 L C -0.175 176.713 176.870 0.030 0.000 1.033 486 L CA -0.759 54.103 54.840 0.037 0.000 0.807 486 L CB 1.229 43.313 42.059 0.043 0.000 1.209 486 L HN 0.431 nan 8.230 nan 0.000 0.423 487 K N 2.940 123.355 120.400 0.025 0.000 2.259 487 K HA 0.502 4.824 4.320 0.004 0.000 0.252 487 K C -0.920 175.685 176.600 0.009 0.000 0.936 487 K CA -0.810 55.488 56.287 0.017 0.000 0.810 487 K CB 2.785 35.295 32.500 0.016 0.000 1.143 487 K HN 0.168 nan 8.250 nan 0.000 0.427 488 V N 2.317 122.234 119.914 0.004 0.000 2.455 488 V HA 0.120 4.242 4.120 0.004 0.000 0.273 488 V C 1.146 177.237 176.094 -0.005 0.000 1.045 488 V CA -0.014 62.284 62.300 -0.003 0.000 0.976 488 V CB 0.908 32.730 31.823 -0.002 0.000 0.993 488 V HN 0.932 nan 8.190 nan 0.000 0.475 489 A N 3.868 126.682 122.820 -0.009 0.000 2.238 489 A HA 0.649 4.972 4.320 0.004 0.000 0.210 489 A C 1.016 178.596 177.584 -0.007 0.000 1.179 489 A CA 0.793 52.825 52.037 -0.007 0.000 0.827 489 A CB 0.005 18.998 19.000 -0.010 0.000 0.856 489 A HN 1.037 nan 8.150 nan 0.000 0.488 490 G N -1.747 107.049 108.800 -0.007 0.000 2.706 490 G HA2 0.461 4.424 3.960 0.004 0.000 0.307 490 G HA3 0.461 4.424 3.960 0.004 0.000 0.307 490 G C -0.613 174.286 174.900 -0.001 0.000 1.307 490 G CA -0.492 44.606 45.100 -0.003 0.000 0.790 490 G HN 0.174 nan 8.290 nan 0.000 0.503 491 M N 0.562 120.164 119.600 0.002 0.000 2.238 491 M HA 0.503 4.985 4.480 0.004 0.000 0.347 491 M C -1.042 175.265 176.300 0.012 0.000 1.173 491 M CA 0.039 55.342 55.300 0.005 0.000 1.147 491 M CB 0.315 32.918 32.600 0.005 0.000 1.547 491 M HN 0.263 nan 8.290 nan 0.000 0.455 492 L N 5.136 126.365 121.223 0.011 0.000 2.316 492 L HA 0.757 5.100 4.340 0.004 0.000 0.280 492 L C -0.810 176.079 176.870 0.031 0.000 1.006 492 L CA -0.612 54.235 54.840 0.012 0.000 0.836 492 L CB 1.342 43.398 42.059 -0.005 0.000 1.221 492 L HN 0.874 nan 8.230 nan 0.000 0.418 493 A N 2.978 125.835 122.820 0.062 0.000 2.547 493 A HA 0.626 4.948 4.320 0.004 0.000 0.297 493 A C -0.772 176.930 177.584 0.197 0.000 1.056 493 A CA -0.539 51.559 52.037 0.101 0.000 0.688 493 A CB 1.694 20.737 19.000 0.071 0.000 1.282 493 A HN 0.249 nan 8.150 nan 0.000 0.400 494 V N 2.217 122.297 119.914 0.277 0.000 2.434 494 V HA 0.429 4.552 4.120 0.004 0.000 0.281 494 V C 1.462 177.824 176.094 0.447 0.000 1.005 494 V CA 2.002 64.592 62.300 0.484 0.000 1.089 494 V CB -0.152 32.021 31.823 0.584 0.000 0.978 494 V HN 2.136 nan 8.190 nan 0.000 0.474 495 G N 4.634 113.658 108.800 0.373 0.000 2.545 495 G HA2 -0.141 3.821 3.960 0.004 0.000 0.195 495 G HA3 -0.141 3.821 3.960 0.004 0.000 0.195 495 G C 0.184 175.051 174.900 -0.054 0.000 1.009 495 G CA -0.389 44.604 45.100 -0.179 0.000 0.703 495 G HN 0.560 nan 8.290 nan 0.000 0.479 496 K N 1.589 122.093 120.400 0.173 0.000 2.095 496 K HA 0.525 4.847 4.320 0.004 0.000 0.252 496 K C 0.441 177.214 176.600 0.289 0.000 0.977 496 K CA -0.460 55.920 56.287 0.154 0.000 0.900 496 K CB 1.324 33.885 32.500 0.103 0.000 1.060 496 K HN 0.577 nan 8.250 nan 0.000 0.449 497 E N 0.281 120.606 120.200 0.210 0.000 2.392 497 E HA 0.155 4.507 4.350 0.004 0.000 0.256 497 E C -0.715 175.989 176.600 0.174 0.000 1.145 497 E CA -0.761 55.787 56.400 0.247 0.000 0.929 497 E CB 0.641 30.425 29.700 0.140 0.000 0.998 497 E HN 0.016 nan 8.360 nan 0.000 0.442 498 V N 2.471 122.470 119.914 0.141 0.000 2.383 498 V HA 0.193 4.315 4.120 0.004 0.000 0.275 498 V C -0.428 175.640 176.094 -0.043 0.000 1.036 498 V CA -0.718 61.586 62.300 0.006 0.000 0.889 498 V CB 0.792 32.572 31.823 -0.072 0.000 0.985 498 V HN 0.620 nan 8.190 nan 0.000 0.459 499 N N 6.074 124.749 118.700 -0.040 0.000 2.399 499 N HA 0.691 5.434 4.740 0.004 0.000 0.280 499 N C -1.059 174.419 175.510 -0.054 0.000 1.008 499 N CA -0.328 52.690 53.050 -0.053 0.000 0.894 499 N CB 2.516 40.988 38.487 -0.024 0.000 1.273 499 N HN 0.477 nan 8.380 nan 0.000 0.486 500 L N 0.411 121.590 121.223 -0.073 0.000 2.322 500 L HA 0.753 5.096 4.340 0.004 0.000 0.252 500 L C -0.391 176.467 176.870 -0.020 0.000 1.055 500 L CA -1.348 53.465 54.840 -0.045 0.000 0.849 500 L CB 2.089 44.113 42.059 -0.058 0.000 1.446 500 L HN 0.182 nan 8.230 nan 0.000 0.416 501 V N -0.314 119.607 119.914 0.011 0.000 2.733 501 V HA 0.563 4.686 4.120 0.004 0.000 0.306 501 V C -1.189 174.945 176.094 0.066 0.000 1.084 501 V CA -0.760 61.566 62.300 0.043 0.000 0.905 501 V CB 1.902 33.743 31.823 0.029 0.000 1.010 501 V HN 0.582 nan 8.190 nan 0.000 0.424 502 L N 5.612 126.903 121.223 0.114 0.000 2.260 502 L HA 0.621 4.963 4.340 0.004 0.000 0.289 502 L C -0.612 176.311 176.870 0.088 0.000 1.057 502 L CA -0.088 54.811 54.840 0.100 0.000 0.811 502 L CB 0.667 42.796 42.059 0.116 0.000 1.184 502 L HN 0.768 nan 8.230 nan 0.000 0.429 503 L N 6.738 127.996 121.223 0.058 0.000 2.257 503 L HA 0.455 4.797 4.340 0.004 0.000 0.290 503 L C -0.609 176.285 176.870 0.040 0.000 1.044 503 L CA -0.201 54.668 54.840 0.048 0.000 0.810 503 L CB 0.958 43.038 42.059 0.034 0.000 1.193 503 L HN 0.565 nan 8.230 nan 0.000 0.425 504 L N 4.591 125.840 121.223 0.042 0.000 2.346 504 L HA 0.600 4.942 4.340 0.004 0.000 0.276 504 L C -0.412 176.475 176.870 0.028 0.000 1.006 504 L CA -0.655 54.204 54.840 0.033 0.000 0.817 504 L CB 2.219 44.299 42.059 0.035 0.000 1.272 504 L HN 0.509 nan 8.230 nan 0.000 0.421 505 K N 2.111 122.523 120.400 0.021 0.000 2.468 505 K HA 0.337 4.659 4.320 0.004 0.000 0.252 505 K C -1.239 175.370 176.600 0.014 0.000 0.932 505 K CA -0.741 55.557 56.287 0.017 0.000 0.794 505 K CB 1.964 34.472 32.500 0.014 0.000 1.241 505 K HN 0.468 nan 8.250 nan 0.000 0.428 506 N N 4.781 123.489 118.700 0.013 0.000 2.426 506 N HA 0.194 4.937 4.740 0.004 0.000 0.257 506 N C 0.057 175.572 175.510 0.008 0.000 1.002 506 N CA -0.321 52.736 53.050 0.011 0.000 0.942 506 N CB 0.683 39.178 38.487 0.012 0.000 1.112 506 N HN 0.660 nan 8.380 nan 0.000 0.499 507 L N 1.323 122.550 121.223 0.007 0.000 2.607 507 L HA 0.165 4.507 4.340 0.004 0.000 0.228 507 L C 1.043 177.916 176.870 0.004 0.000 1.123 507 L CA -0.156 54.686 54.840 0.005 0.000 0.890 507 L CB -0.439 41.622 42.059 0.003 0.000 1.103 507 L HN 0.500 nan 8.230 nan 0.000 0.468 508 S N -0.434 115.268 115.700 0.004 0.000 2.713 508 S HA 0.297 4.770 4.470 0.004 0.000 0.277 508 S C 0.881 175.483 174.600 0.004 0.000 1.168 508 S CA -0.645 57.557 58.200 0.004 0.000 0.994 508 S CB 1.227 64.430 63.200 0.004 0.000 1.054 508 S HN 0.185 nan 8.310 nan 0.000 0.555 509 R N 0.001 120.502 120.500 0.003 0.000 2.334 509 R HA 0.303 4.645 4.340 0.004 0.000 0.216 509 R C -0.553 175.750 176.300 0.004 0.000 0.905 509 R CA 0.018 56.120 56.100 0.003 0.000 1.064 509 R CB -0.002 30.300 30.300 0.002 0.000 1.046 509 R HN 0.610 nan 8.270 nan 0.000 0.508 510 D N 0.053 120.455 120.400 0.004 0.000 2.340 510 D HA 0.167 4.810 4.640 0.004 0.000 0.243 510 D C -0.321 175.983 176.300 0.006 0.000 0.988 510 D CA -0.262 53.741 54.000 0.005 0.000 0.959 510 D CB 1.860 42.662 40.800 0.004 0.000 1.226 510 D HN -0.216 nan 8.370 nan 0.000 0.509 511 T N 1.974 116.532 114.554 0.007 0.000 2.794 511 T HA 0.211 4.563 4.350 0.004 0.000 0.296 511 T C 0.245 174.950 174.700 0.009 0.000 0.949 511 T CA -0.408 61.697 62.100 0.009 0.000 1.101 511 T CB 0.653 69.527 68.868 0.009 0.000 0.905 511 T HN -0.035 nan 8.240 nan 0.000 0.516 512 K N 2.668 123.075 120.400 0.011 0.000 2.207 512 K HA 0.456 4.779 4.320 0.004 0.000 0.255 512 K C -0.287 176.322 176.600 0.014 0.000 0.941 512 K CA -0.668 55.626 56.287 0.011 0.000 0.825 512 K CB 2.038 34.544 32.500 0.011 0.000 1.119 512 K HN 0.408 nan 8.250 nan 0.000 0.430 513 T N 1.802 116.364 114.554 0.013 0.000 2.756 513 T HA 0.302 4.654 4.350 0.004 0.000 0.290 513 T C -0.234 174.475 174.700 0.015 0.000 0.985 513 T CA -0.534 61.576 62.100 0.015 0.000 0.955 513 T CB 0.720 69.597 68.868 0.014 0.000 0.930 513 T HN 0.128 nan 8.240 nan 0.000 0.451 514 V N 4.327 124.251 119.914 0.017 0.000 2.370 514 V HA 0.369 4.491 4.120 0.004 0.000 0.279 514 V C 0.579 176.680 176.094 0.012 0.000 1.029 514 V CA -0.783 61.526 62.300 0.015 0.000 0.870 514 V CB 1.466 33.298 31.823 0.015 0.000 0.984 514 V HN 0.850 nan 8.190 nan 0.000 0.451 515 T N 4.988 119.548 114.554 0.011 0.000 2.743 515 T HA 0.499 4.851 4.350 0.004 0.000 0.293 515 T C -0.172 174.527 174.700 -0.002 0.000 0.945 515 T CA -0.204 61.900 62.100 0.007 0.000 1.030 515 T CB 1.105 69.980 68.868 0.013 0.000 0.912 515 T HN 0.397 nan 8.240 nan 0.000 0.483 516 V N 5.239 125.140 119.914 -0.022 0.000 2.448 516 V HA 0.455 4.577 4.120 0.004 0.000 0.295 516 V C -0.277 175.789 176.094 -0.046 0.000 1.025 516 V CA -1.070 61.206 62.300 -0.041 0.000 0.859 516 V CB 1.602 33.373 31.823 -0.088 0.000 0.988 516 V HN 0.759 nan 8.190 nan 0.000 0.431 517 N N 5.422 124.110 118.700 -0.020 0.000 2.407 517 N HA 0.708 5.450 4.740 0.004 0.000 0.277 517 N C -0.877 174.639 175.510 0.011 0.000 0.995 517 N CA -0.339 52.702 53.050 -0.014 0.000 0.903 517 N CB 2.143 40.636 38.487 0.011 0.000 1.218 517 N HN 0.590 nan 8.380 nan 0.000 0.487 518 M N 0.517 120.118 119.600 0.001 0.000 2.602 518 M HA 0.513 4.995 4.480 0.004 0.000 0.312 518 M C 0.057 176.410 176.300 0.088 0.000 1.181 518 M CA -0.679 54.683 55.300 0.104 0.000 0.910 518 M CB 2.512 35.256 32.600 0.241 0.000 1.723 518 M HN 0.522 nan 8.290 nan 0.000 0.459 519 T N -0.982 113.739 114.554 0.279 0.000 2.843 519 T HA 0.923 5.275 4.350 0.004 0.000 0.302 519 T C -1.549 173.464 174.700 0.522 0.000 1.232 519 T CA -0.941 61.358 62.100 0.331 0.000 1.009 519 T CB 2.006 71.114 68.868 0.401 0.000 1.254 519 T HN 0.885 nan 8.240 nan 0.000 0.504 520 A N 1.030 124.152 122.820 0.503 0.000 2.375 520 A HA 0.677 5.000 4.320 0.004 0.000 0.295 520 A C -1.876 175.906 177.584 0.329 0.000 1.066 520 A CA -0.883 51.425 52.037 0.452 0.000 0.722 520 A CB 0.702 19.971 19.000 0.447 0.000 1.206 520 A HN 0.726 nan 8.150 nan 0.000 0.435 521 W N 1.626 123.028 121.300 0.170 0.000 2.656 521 W HA 0.545 5.207 4.660 0.003 0.000 0.327 521 W C 0.580 177.179 176.519 0.132 0.000 1.041 521 W CA -0.130 57.294 57.345 0.130 0.000 1.229 521 W CB 2.080 31.590 29.460 0.083 0.000 1.397 521 W HN 0.768 nan 8.180 nan 0.000 0.479 522 T N 1.853 116.614 114.554 0.345 0.000 2.907 522 T HA 0.672 5.024 4.350 0.004 0.000 0.298 522 T C -0.114 174.759 174.700 0.288 0.000 1.017 522 T CA -0.353 61.916 62.100 0.282 0.000 1.118 522 T CB 0.736 69.768 68.868 0.273 0.000 0.948 522 T HN 0.441 nan 8.240 nan 0.000 0.531 523 I N -1.096 119.609 120.570 0.226 0.000 3.264 523 I HA 0.685 4.857 4.170 0.004 0.000 0.315 523 I C -1.238 174.979 176.117 0.166 0.000 1.154 523 I CA -1.883 59.523 61.300 0.177 0.000 0.962 523 I CB 1.794 39.872 38.000 0.131 0.000 1.265 523 I HN 0.363 nan 8.210 nan 0.000 0.463 524 I N 1.936 122.573 120.570 0.111 0.000 2.566 524 I HA 0.166 4.339 4.170 0.004 0.000 0.303 524 I C 0.924 177.077 176.117 0.060 0.000 0.983 524 I CA -0.463 60.920 61.300 0.139 0.000 1.235 524 I CB 1.180 39.232 38.000 0.086 0.000 1.386 524 I HN 0.929 nan 8.210 nan 0.000 0.494 525 Y N 4.145 124.497 120.300 0.087 0.000 2.298 525 Y HA -0.294 4.258 4.550 0.004 0.000 0.287 525 Y C 1.679 177.486 175.900 -0.155 0.000 1.164 525 Y CA 1.913 60.026 58.100 0.021 0.000 1.229 525 Y CB -0.979 37.499 38.460 0.031 0.000 0.977 525 Y HN 0.740 nan 8.280 nan 0.000 0.538 526 N N -0.401 117.571 118.700 -1.214 0.000 2.459 526 N HA 0.116 4.858 4.740 0.004 0.000 0.181 526 N C 1.574 176.644 175.510 -0.733 0.000 1.046 526 N CA 0.709 52.851 53.050 -1.512 0.000 0.904 526 N CB -0.013 36.978 38.487 -2.493 0.000 0.964 526 N HN 0.548 nan 8.380 nan 0.000 0.444 527 G N -0.807 107.755 108.800 -0.397 0.000 2.229 527 G HA2 -0.219 3.743 3.960 0.004 0.000 0.189 527 G HA3 -0.219 3.743 3.960 0.004 0.000 0.189 527 G C -0.030 174.765 174.900 -0.174 0.000 1.000 527 G CA -0.033 44.949 45.100 -0.197 0.000 0.663 527 G HN 0.323 nan 8.290 nan 0.000 0.493 528 T N 2.473 116.903 114.554 -0.206 0.000 2.871 528 T HA 0.366 4.718 4.350 0.004 0.000 0.296 528 T C 0.897 175.572 174.700 -0.043 0.000 0.998 528 T CA 0.315 62.342 62.100 -0.122 0.000 1.162 528 T CB 0.582 69.400 68.868 -0.082 0.000 0.947 528 T HN 0.315 nan 8.240 nan 0.000 0.536 529 L N 4.620 125.809 121.223 -0.056 0.000 2.360 529 L HA 0.177 4.520 4.340 0.004 0.000 0.276 529 L C 1.289 178.260 176.870 0.167 0.000 1.121 529 L CA -0.445 54.404 54.840 0.014 0.000 0.845 529 L CB 0.800 42.720 42.059 -0.231 0.000 1.143 529 L HN 0.535 nan 8.230 nan 0.000 0.452 530 V N 2.158 122.248 119.914 0.293 0.000 2.484 530 V HA 0.147 4.269 4.120 0.004 0.000 0.236 530 V C 0.266 176.555 176.094 0.325 0.000 1.062 530 V CA 0.533 62.999 62.300 0.276 0.000 1.081 530 V CB 0.006 31.977 31.823 0.247 0.000 0.751 530 V HN 0.729 nan 8.190 nan 0.000 0.484 531 H N -0.251 118.920 119.070 0.168 0.000 3.094 531 H HA 0.247 4.805 4.556 0.003 0.000 0.346 531 H C -1.235 173.707 175.328 -0.644 0.000 1.238 531 H CA -0.559 55.303 56.048 -0.311 0.000 1.209 531 H CB 2.014 31.392 29.762 -0.640 0.000 1.911 531 H HN 0.385 nan 8.280 nan 0.000 0.540 532 E N 2.714 122.100 120.200 -1.357 0.000 2.324 532 E HA 0.217 4.569 4.350 0.004 0.000 0.271 532 E C 0.303 176.680 176.600 -0.372 0.000 1.028 532 E CA -0.129 55.505 56.400 -1.277 0.000 0.890 532 E CB 0.773 29.668 29.700 -1.342 0.000 1.004 532 E HN 0.419 nan 8.360 nan 0.000 0.431 533 V N 2.035 121.878 119.914 -0.118 0.000 3.556 533 V HA 0.414 4.537 4.120 0.004 0.000 0.287 533 V C -0.203 176.040 176.094 0.249 0.000 1.422 533 V CA -0.444 61.929 62.300 0.122 0.000 1.038 533 V CB -0.554 31.414 31.823 0.242 0.000 0.850 533 V HN 0.679 nan 8.190 nan 0.000 0.437 534 W N 1.704 122.982 121.300 -0.036 0.000 3.464 534 W HA 0.604 5.266 4.660 0.004 0.000 0.292 534 W C -1.781 174.742 176.519 0.007 0.000 1.262 534 W CA -0.629 56.724 57.345 0.014 0.000 1.202 534 W CB 1.259 30.761 29.460 0.070 0.000 1.334 534 W HN 0.215 nan 8.180 nan 0.000 0.561 535 K N 3.612 123.449 120.400 -0.938 0.000 2.575 535 K HA 0.780 5.102 4.320 0.004 0.000 0.279 535 K C -2.105 173.768 176.600 -1.211 0.000 0.969 535 K CA -0.838 54.910 56.287 -0.897 0.000 0.868 535 K CB 2.624 34.901 32.500 -0.370 0.000 1.457 535 K HN 0.338 nan 8.250 nan 0.000 0.426 536 D N -0.401 119.501 120.400 -0.831 0.000 2.783 536 D HA 0.396 5.039 4.640 0.004 0.000 0.253 536 D C -1.760 174.399 176.300 -0.235 0.000 1.206 536 D CA -0.159 53.543 54.000 -0.498 0.000 0.740 536 D CB 2.437 42.946 40.800 -0.485 0.000 1.313 536 D HN 0.574 nan 8.370 nan 0.000 0.427 537 S N -0.146 115.483 115.700 -0.117 0.000 2.570 537 S HA 1.038 5.511 4.470 0.004 0.000 0.286 537 S C -1.229 173.355 174.600 -0.027 0.000 1.099 537 S CA -0.263 57.894 58.200 -0.071 0.000 0.913 537 S CB 1.763 64.933 63.200 -0.050 0.000 1.085 537 S HN 0.757 nan 8.310 nan 0.000 0.480 538 A N 1.128 123.924 122.820 -0.039 0.000 2.610 538 A HA 0.828 5.150 4.320 0.004 0.000 0.291 538 A C -1.190 176.398 177.584 0.006 0.000 1.086 538 A CA -0.700 51.344 52.037 0.012 0.000 0.677 538 A CB 1.555 20.576 19.000 0.034 0.000 1.278 538 A HN 0.556 nan 8.150 nan 0.000 0.414 539 T N 2.357 116.934 114.554 0.038 0.000 2.840 539 T HA 0.634 4.986 4.350 0.004 0.000 0.287 539 T C -0.534 174.195 174.700 0.049 0.000 0.991 539 T CA -0.232 61.887 62.100 0.032 0.000 0.964 539 T CB 0.712 69.597 68.868 0.027 0.000 0.954 539 T HN 0.674 nan 8.240 nan 0.000 0.438 540 M N 1.510 121.137 119.600 0.044 0.000 2.259 540 M HA 0.621 5.104 4.480 0.004 0.000 0.304 540 M C -0.253 176.069 176.300 0.038 0.000 1.019 540 M CA -0.936 54.396 55.300 0.053 0.000 0.922 540 M CB 1.960 34.603 32.600 0.071 0.000 1.600 540 M HN 0.409 nan 8.290 nan 0.000 0.433 541 S N 4.500 120.221 115.700 0.034 0.000 2.489 541 S HA 0.709 5.181 4.470 0.004 0.000 0.277 541 S C -0.725 173.891 174.600 0.026 0.000 1.230 541 S CA -0.615 57.601 58.200 0.026 0.000 1.053 541 S CB 0.281 63.494 63.200 0.023 0.000 0.955 541 S HN 0.722 nan 8.310 nan 0.000 0.488 542 L N 4.226 125.463 121.223 0.022 0.000 2.381 542 L HA 0.548 4.890 4.340 0.004 0.000 0.274 542 L C -0.406 176.473 176.870 0.016 0.000 0.988 542 L CA -1.119 53.733 54.840 0.021 0.000 0.824 542 L CB 1.856 43.928 42.059 0.022 0.000 1.263 542 L HN 0.501 nan 8.230 nan 0.000 0.410 543 D N 2.738 123.147 120.400 0.015 0.000 2.383 543 D HA 0.279 4.922 4.640 0.004 0.000 0.248 543 D C -2.341 173.966 176.300 0.011 0.000 1.170 543 D CA -1.420 52.587 54.000 0.012 0.000 0.977 543 D CB 0.835 41.641 40.800 0.011 0.000 1.120 543 D HN 0.192 nan 8.370 nan 0.000 0.481 544 P HA -0.023 nan 4.420 nan 0.000 0.262 544 P C 0.156 177.460 177.300 0.008 0.000 1.182 544 P CA 0.865 63.969 63.100 0.007 0.000 0.761 544 P CB 0.403 32.106 31.700 0.006 0.000 0.795 545 E N 0.005 120.210 120.200 0.008 0.000 3.799 545 E HA -0.275 4.077 4.350 0.004 0.000 0.320 545 E C 0.175 176.781 176.600 0.010 0.000 0.760 545 E CA 1.324 57.728 56.400 0.008 0.000 1.153 545 E CB -1.612 28.091 29.700 0.006 0.000 1.589 545 E HN 0.676 nan 8.360 nan 0.000 0.448 546 E N 0.699 120.905 120.200 0.011 0.000 2.398 546 E HA 0.105 4.457 4.350 0.004 0.000 0.263 546 E C -0.585 176.025 176.600 0.017 0.000 1.046 546 E CA 0.197 56.605 56.400 0.014 0.000 0.908 546 E CB 0.480 30.190 29.700 0.016 0.000 0.963 546 E HN 0.165 nan 8.360 nan 0.000 0.431 547 E N 1.886 122.096 120.200 0.018 0.000 2.185 547 E HA 0.480 4.832 4.350 0.004 0.000 0.261 547 E C -1.231 175.385 176.600 0.027 0.000 0.879 547 E CA -0.753 55.660 56.400 0.021 0.000 0.756 547 E CB 1.869 31.579 29.700 0.018 0.000 1.152 547 E HN 0.516 nan 8.360 nan 0.000 0.416 548 A N 3.473 126.314 122.820 0.035 0.000 2.330 548 A HA 0.600 4.922 4.320 0.004 0.000 0.329 548 A C -0.528 177.090 177.584 0.057 0.000 1.135 548 A CA -0.643 51.421 52.037 0.045 0.000 0.817 548 A CB 1.122 20.153 19.000 0.052 0.000 1.269 548 A HN 0.606 nan 8.150 nan 0.000 0.469 549 E N 0.700 120.937 120.200 0.063 0.000 2.210 549 E HA 0.336 4.688 4.350 0.004 0.000 0.266 549 E C -1.521 175.143 176.600 0.108 0.000 0.883 549 E CA -0.554 55.891 56.400 0.074 0.000 0.761 549 E CB 1.871 31.596 29.700 0.042 0.000 1.156 549 E HN 0.639 nan 8.360 nan 0.000 0.412 550 H N 4.144 123.240 119.070 0.044 0.000 2.762 550 H HA 0.333 4.891 4.556 0.004 0.000 0.310 550 H C -2.718 172.647 175.328 0.061 0.000 1.004 550 H CA -2.281 53.804 56.048 0.062 0.000 1.267 550 H CB 1.211 31.021 29.762 0.081 0.000 1.437 550 H HN 0.235 nan 8.280 nan 0.000 0.498 551 P HA 0.136 nan 4.420 nan 0.000 0.268 551 P C -0.309 176.977 177.300 -0.022 0.000 1.205 551 P CA 0.176 63.221 63.100 -0.091 0.000 0.771 551 P CB 0.914 32.544 31.700 -0.118 0.000 0.858 552 I N 2.951 123.500 120.570 -0.034 0.000 2.439 552 I HA 0.338 4.511 4.170 0.004 0.000 0.283 552 I C 0.181 176.119 176.117 -0.298 0.000 1.023 552 I CA -0.631 60.551 61.300 -0.198 0.000 1.100 552 I CB 1.600 39.414 38.000 -0.311 0.000 1.238 552 I HN 0.157 nan 8.210 nan 0.000 0.445 553 K N 7.876 128.094 120.400 -0.303 0.000 2.323 553 K HA 0.695 5.017 4.320 0.004 0.000 0.259 553 K C -1.438 174.985 176.600 -0.295 0.000 0.947 553 K CA -0.508 55.658 56.287 -0.202 0.000 0.819 553 K CB 1.647 34.123 32.500 -0.041 0.000 1.109 553 K HN 0.571 nan 8.250 nan 0.000 0.429 554 I N 3.805 124.264 120.570 -0.186 0.000 2.439 554 I HA 0.129 4.302 4.170 0.004 0.000 0.285 554 I C 0.118 176.333 176.117 0.163 0.000 1.021 554 I CA -0.810 60.463 61.300 -0.045 0.000 1.091 554 I CB 1.975 39.948 38.000 -0.045 0.000 1.242 554 I HN 0.676 nan 8.210 nan 0.000 0.439 555 S N 4.792 120.583 115.700 0.151 0.000 2.603 555 S HA 0.111 4.583 4.470 0.004 0.000 0.268 555 S C 0.965 175.567 174.600 0.003 0.000 1.317 555 S CA -0.232 58.041 58.200 0.122 0.000 1.012 555 S CB 0.984 64.227 63.200 0.072 0.000 0.926 555 S HN 0.642 nan 8.310 nan 0.000 0.539 556 Y N 2.254 122.421 120.300 -0.222 0.000 2.181 556 Y HA -0.069 4.483 4.550 0.003 0.000 0.288 556 Y C 2.463 177.989 175.900 -0.623 0.000 1.146 556 Y CA 1.885 59.552 58.100 -0.721 0.000 1.164 556 Y CB -1.136 37.134 38.460 -0.316 0.000 0.982 556 Y HN 0.840 nan 8.280 nan 0.000 0.515 557 A N 0.196 122.813 122.820 -0.338 0.000 1.978 557 A HA -0.266 4.056 4.320 0.004 0.000 0.220 557 A C 2.107 179.508 177.584 -0.305 0.000 1.170 557 A CA 2.066 53.907 52.037 -0.326 0.000 0.636 557 A CB -0.672 18.264 19.000 -0.107 0.000 0.810 557 A HN 0.708 nan 8.150 nan 0.000 0.448 558 Q N -1.734 117.953 119.800 -0.188 0.000 2.049 558 Q HA -0.142 4.200 4.340 0.004 0.000 0.198 558 Q C 2.054 178.056 176.000 0.004 0.000 0.971 558 Q CA 1.792 57.578 55.803 -0.029 0.000 0.833 558 Q CB -0.343 28.467 28.738 0.120 0.000 0.896 558 Q HN 1.020 nan 8.270 nan 0.000 0.434 559 Y N 0.780 121.069 120.300 -0.018 0.000 2.448 559 Y HA 0.065 4.618 4.550 0.005 0.000 0.289 559 Y C 1.853 177.693 175.900 -0.101 0.000 1.114 559 Y CA 0.811 58.917 58.100 0.010 0.000 1.235 559 Y CB -0.568 37.926 38.460 0.056 0.000 1.045 559 Y HN 0.094 nan 8.280 nan 0.000 0.554 560 E N 1.649 121.480 120.200 -0.615 0.000 2.118 560 E HA -0.271 4.081 4.350 0.004 0.000 0.195 560 E C 2.179 178.562 176.600 -0.362 0.000 0.992 560 E CA 1.841 57.910 56.400 -0.552 0.000 0.804 560 E CB -0.518 28.377 29.700 -1.342 0.000 0.741 560 E HN 0.512 nan 8.360 nan 0.000 0.458 561 R N -1.029 119.191 120.500 -0.468 0.000 2.189 561 R HA -0.086 4.256 4.340 0.004 0.000 0.223 561 R C 0.707 176.526 176.300 -0.802 0.000 1.092 561 R CA 1.300 57.006 56.100 -0.657 0.000 0.989 561 R CB -0.031 29.749 30.300 -0.868 0.000 0.876 561 R HN 0.414 nan 8.270 nan 0.000 0.457 562 Y N -1.282 118.965 120.300 -0.089 0.000 2.527 562 Y HA 0.185 4.737 4.550 0.003 0.000 0.247 562 Y C -0.215 175.722 175.900 0.063 0.000 1.138 562 Y CA -0.891 57.187 58.100 -0.037 0.000 1.228 562 Y CB 0.715 39.136 38.460 -0.065 0.000 1.252 562 Y HN -0.047 nan 8.280 nan 0.000 0.531 563 L N 2.216 123.552 121.223 0.187 0.000 2.367 563 L HA 0.266 4.608 4.340 0.004 0.000 0.275 563 L C -0.120 176.849 176.870 0.165 0.000 1.129 563 L CA -0.086 54.882 54.840 0.212 0.000 0.839 563 L CB 0.271 42.496 42.059 0.278 0.000 1.133 563 L HN -0.107 nan 8.230 nan 0.000 0.453 564 K N 1.805 122.316 120.400 0.184 0.000 2.419 564 K HA 0.341 4.664 4.320 0.004 0.000 0.246 564 K C 1.304 178.030 176.600 0.210 0.000 1.037 564 K CA 0.277 56.675 56.287 0.185 0.000 0.982 564 K CB 0.878 33.499 32.500 0.203 0.000 1.283 564 K HN 0.680 nan 8.250 nan 0.000 0.500 565 S N -0.599 115.246 115.700 0.241 0.000 2.469 565 S HA -0.141 4.331 4.470 0.004 0.000 0.238 565 S C 0.896 175.634 174.600 0.231 0.000 0.998 565 S CA 1.575 59.914 58.200 0.232 0.000 0.957 565 S CB -0.335 63.007 63.200 0.238 0.000 0.764 565 S HN 0.486 nan 8.310 nan 0.000 0.514 566 D N 2.011 122.569 120.400 0.263 0.000 2.218 566 D HA -0.010 4.633 4.640 0.004 0.000 0.204 566 D C 0.417 176.843 176.300 0.211 0.000 0.976 566 D CA 0.866 55.026 54.000 0.266 0.000 0.853 566 D CB -0.588 40.404 40.800 0.320 0.000 0.939 566 D HN 0.604 nan 8.370 nan 0.000 0.481 567 N N -0.877 117.940 118.700 0.195 0.000 2.754 567 N HA -0.182 4.560 4.740 0.004 0.000 0.248 567 N C -0.890 174.697 175.510 0.128 0.000 1.093 567 N CA -0.037 53.108 53.050 0.159 0.000 0.699 567 N CB -0.798 37.781 38.487 0.153 0.000 1.016 567 N HN 0.260 nan 8.380 nan 0.000 0.552 568 M N 0.851 120.543 119.600 0.154 0.000 2.528 568 M HA 0.588 5.071 4.480 0.004 0.000 0.321 568 M C -0.487 175.896 176.300 0.138 0.000 1.153 568 M CA -0.511 54.876 55.300 0.145 0.000 0.951 568 M CB 2.145 34.861 32.600 0.193 0.000 1.705 568 M HN -0.009 nan 8.290 nan 0.000 0.451 569 I N 1.362 122.002 120.570 0.118 0.000 2.569 569 I HA 0.452 4.624 4.170 0.004 0.000 0.290 569 I C -0.653 175.561 176.117 0.161 0.000 1.088 569 I CA -0.831 60.552 61.300 0.139 0.000 1.047 569 I CB 2.416 40.459 38.000 0.072 0.000 1.237 569 I HN 0.609 nan 8.210 nan 0.000 0.421 570 R N 6.382 127.013 120.500 0.218 0.000 2.207 570 R HA 0.542 4.885 4.340 0.004 0.000 0.334 570 R C -1.147 175.306 176.300 0.255 0.000 1.013 570 R CA -0.284 55.947 56.100 0.218 0.000 0.858 570 R CB 0.513 30.940 30.300 0.211 0.000 1.094 570 R HN 0.432 nan 8.270 nan 0.000 0.457 571 I N 4.091 124.783 120.570 0.204 0.000 2.377 571 I HA 0.380 4.552 4.170 0.004 0.000 0.293 571 I C -0.260 175.977 176.117 0.201 0.000 0.987 571 I CA -0.455 60.971 61.300 0.211 0.000 1.185 571 I CB 1.597 39.676 38.000 0.131 0.000 1.341 571 I HN 0.638 nan 8.210 nan 0.000 0.455 572 T N 4.659 119.354 114.554 0.235 0.000 2.912 572 T HA 0.760 5.112 4.350 0.004 0.000 0.299 572 T C -0.538 174.237 174.700 0.125 0.000 1.052 572 T CA -0.647 61.544 62.100 0.152 0.000 0.996 572 T CB 2.322 71.311 68.868 0.201 0.000 1.070 572 T HN 0.710 nan 8.240 nan 0.000 0.465 573 A N 2.308 125.147 122.820 0.031 0.000 2.411 573 A HA 0.698 5.021 4.320 0.004 0.000 0.285 573 A C -0.763 176.800 177.584 -0.036 0.000 1.129 573 A CA -0.593 51.459 52.037 0.026 0.000 0.736 573 A CB 0.926 19.947 19.000 0.035 0.000 1.186 573 A HN 0.666 nan 8.150 nan 0.000 0.445 574 V N 2.465 122.365 119.914 -0.024 0.000 2.350 574 V HA 0.337 4.459 4.120 0.004 0.000 0.276 574 V C -0.124 175.967 176.094 -0.005 0.000 1.028 574 V CA -0.362 61.917 62.300 -0.034 0.000 0.860 574 V CB 0.435 32.252 31.823 -0.008 0.000 0.990 574 V HN 0.982 nan 8.190 nan 0.000 0.453 575 C N 4.789 124.086 119.300 -0.006 0.000 2.493 575 C HA 0.874 5.337 4.460 0.004 0.000 0.326 575 C C -0.070 174.932 174.990 0.020 0.000 1.200 575 C CA -1.195 57.825 59.018 0.004 0.000 1.739 575 C CB 1.231 28.970 27.740 -0.002 0.000 2.300 575 C HN 0.944 nan 8.230 nan 0.000 0.500 576 K N 0.995 121.409 120.400 0.024 0.000 2.557 576 K HA 0.667 4.990 4.320 0.004 0.000 0.261 576 K C -1.308 175.306 176.600 0.022 0.000 0.932 576 K CA -0.388 55.918 56.287 0.031 0.000 0.829 576 K CB 1.978 34.509 32.500 0.051 0.000 1.358 576 K HN 0.766 nan 8.250 nan 0.000 0.430 577 V N 0.016 119.942 119.914 0.019 0.000 2.815 577 V HA 0.671 4.794 4.120 0.004 0.000 0.314 577 V C -2.675 173.425 176.094 0.010 0.000 1.064 577 V CA -2.653 59.655 62.300 0.013 0.000 0.952 577 V CB 1.144 32.974 31.823 0.011 0.000 1.020 577 V HN 0.655 nan 8.190 nan 0.000 0.439 578 P HA 0.105 nan 4.420 nan 0.000 0.263 578 P C 0.139 177.437 177.300 -0.004 0.000 1.175 578 P CA 1.150 64.250 63.100 -0.000 0.000 0.761 578 P CB 0.078 31.777 31.700 -0.001 0.000 0.794 579 D N 0.418 120.812 120.400 -0.011 0.000 3.012 579 D HA -0.204 4.439 4.640 0.004 0.000 0.222 579 D C -0.615 175.679 176.300 -0.010 0.000 1.167 579 D CA 1.397 55.388 54.000 -0.015 0.000 0.854 579 D CB -0.976 39.816 40.800 -0.013 0.000 1.107 579 D HN 0.509 nan 8.370 nan 0.000 0.421 580 E N -0.662 119.537 120.200 -0.003 0.000 2.317 580 E HA 0.498 4.850 4.350 0.004 0.000 0.270 580 E C -0.481 176.130 176.600 0.018 0.000 0.885 580 E CA -0.925 55.478 56.400 0.005 0.000 0.760 580 E CB 1.656 31.361 29.700 0.008 0.000 1.227 580 E HN 0.008 nan 8.360 nan 0.000 0.434 581 S N 1.559 117.275 115.700 0.027 0.000 2.576 581 S HA 0.025 4.497 4.470 0.004 0.000 0.272 581 S C -0.092 174.553 174.600 0.075 0.000 1.352 581 S CA -0.270 57.968 58.200 0.064 0.000 1.021 581 S CB 0.351 63.591 63.200 0.067 0.000 0.887 581 S HN 0.336 nan 8.310 nan 0.000 0.542 582 E N 0.619 120.896 120.200 0.129 0.000 2.418 582 E HA 0.215 4.567 4.350 0.004 0.000 0.261 582 E C -0.798 175.827 176.600 0.042 0.000 1.070 582 E CA 0.090 56.549 56.400 0.098 0.000 0.931 582 E CB 0.385 30.171 29.700 0.143 0.000 0.954 582 E HN 0.227 nan 8.360 nan 0.000 0.439 583 V N 3.190 123.111 119.914 0.012 0.000 2.378 583 V HA 0.224 4.346 4.120 0.004 0.000 0.288 583 V C -0.614 175.451 176.094 -0.048 0.000 1.016 583 V CA -0.809 61.482 62.300 -0.015 0.000 0.840 583 V CB 1.599 33.417 31.823 -0.007 0.000 0.994 583 V HN 0.379 nan 8.190 nan 0.000 0.431 584 V N 6.284 126.144 119.914 -0.089 0.000 2.383 584 V HA 0.403 4.525 4.120 0.004 0.000 0.275 584 V C -0.033 175.974 176.094 -0.146 0.000 1.036 584 V CA -0.451 61.745 62.300 -0.174 0.000 0.889 584 V CB 1.677 33.327 31.823 -0.290 0.000 0.985 584 V HN 0.599 nan 8.190 nan 0.000 0.459 585 V N 5.471 125.310 119.914 -0.125 0.000 2.384 585 V HA 0.501 4.623 4.120 0.004 0.000 0.287 585 V C -0.096 175.958 176.094 -0.067 0.000 1.020 585 V CA -0.582 61.678 62.300 -0.066 0.000 0.850 585 V CB 1.475 33.286 31.823 -0.021 0.000 0.987 585 V HN 0.960 nan 8.190 nan 0.000 0.436 586 E N 3.902 124.082 120.200 -0.034 0.000 2.277 586 E HA 0.862 5.214 4.350 0.004 0.000 0.266 586 E C -0.671 175.964 176.600 0.059 0.000 0.901 586 E CA -1.092 55.319 56.400 0.017 0.000 0.782 586 E CB 2.963 32.684 29.700 0.035 0.000 1.228 586 E HN 0.568 nan 8.360 nan 0.000 0.424 587 R N 1.613 122.168 120.500 0.092 0.000 2.868 587 R HA 0.150 4.492 4.340 0.004 0.000 0.262 587 R C -2.019 174.349 176.300 0.113 0.000 1.163 587 R CA -0.489 55.667 56.100 0.094 0.000 1.105 587 R CB 0.919 31.261 30.300 0.071 0.000 1.270 587 R HN 0.438 nan 8.270 nan 0.000 0.437 588 D N 5.289 125.762 120.400 0.123 0.000 2.232 588 D HA 0.368 5.011 4.640 0.004 0.000 0.242 588 D C 0.192 176.562 176.300 0.115 0.000 1.093 588 D CA -0.135 53.946 54.000 0.135 0.000 0.845 588 D CB 1.334 42.231 40.800 0.162 0.000 1.124 588 D HN 0.480 nan 8.370 nan 0.000 0.467 589 I N -1.461 119.167 120.570 0.097 0.000 2.750 589 I HA 0.609 4.782 4.170 0.004 0.000 0.308 589 I C -0.586 175.576 176.117 0.075 0.000 1.016 589 I CA -1.014 60.327 61.300 0.069 0.000 1.098 589 I CB 1.870 39.888 38.000 0.030 0.000 1.279 589 I HN 0.088 nan 8.210 nan 0.000 0.454 590 I N 4.415 125.023 120.570 0.063 0.000 2.436 590 I HA 0.333 4.505 4.170 0.004 0.000 0.289 590 I C -1.040 175.101 176.117 0.040 0.000 1.010 590 I CA -0.704 60.639 61.300 0.071 0.000 1.098 590 I CB 1.974 40.028 38.000 0.090 0.000 1.266 590 I HN 0.385 nan 8.210 nan 0.000 0.434 591 L N 6.047 127.291 121.223 0.036 0.000 2.276 591 L HA 0.324 4.666 4.340 0.004 0.000 0.286 591 L C 0.029 176.943 176.870 0.072 0.000 1.061 591 L CA -0.218 54.641 54.840 0.031 0.000 0.807 591 L CB 0.428 42.483 42.059 -0.008 0.000 1.177 591 L HN 0.425 nan 8.230 nan 0.000 0.429 592 D N 2.289 122.726 120.400 0.062 0.000 2.372 592 D HA 0.074 4.716 4.640 0.004 0.000 0.243 592 D C 0.101 176.458 176.300 0.096 0.000 1.121 592 D CA 0.015 54.052 54.000 0.062 0.000 0.898 592 D CB 0.705 41.525 40.800 0.033 0.000 1.202 592 D HN 0.379 nan 8.370 nan 0.000 0.428 593 N N 1.590 120.345 118.700 0.091 0.000 2.483 593 N HA 0.240 4.982 4.740 0.004 0.000 0.269 593 N C -2.146 173.376 175.510 0.019 0.000 1.209 593 N CA -0.917 52.197 53.050 0.105 0.000 0.969 593 N CB 0.457 39.006 38.487 0.104 0.000 1.173 593 N HN 0.192 nan 8.380 nan 0.000 0.475 594 P HA 0.051 nan 4.420 nan 0.000 0.271 594 P C -0.468 176.822 177.300 -0.017 0.000 1.233 594 P CA -0.024 63.009 63.100 -0.111 0.000 0.789 594 P CB 0.178 31.701 31.700 -0.295 0.000 0.951 595 T N 1.475 116.000 114.554 -0.048 0.000 2.901 595 T HA 0.242 4.594 4.350 0.004 0.000 0.301 595 T C 0.140 174.877 174.700 0.061 0.000 1.012 595 T CA 0.125 62.217 62.100 -0.012 0.000 1.135 595 T CB -0.028 68.809 68.868 -0.052 0.000 0.936 595 T HN 0.246 nan 8.240 nan 0.000 0.539 596 L N 3.756 125.013 121.223 0.056 0.000 2.325 596 L HA 0.553 4.896 4.340 0.004 0.000 0.281 596 L C -0.339 176.541 176.870 0.017 0.000 1.004 596 L CA -0.021 54.853 54.840 0.056 0.000 0.823 596 L CB 1.612 43.678 42.059 0.013 0.000 1.236 596 L HN 0.625 nan 8.230 nan 0.000 0.415 597 T N 5.930 120.488 114.554 0.008 0.000 2.829 597 T HA 0.636 4.989 4.350 0.004 0.000 0.280 597 T C -0.533 174.175 174.700 0.014 0.000 0.999 597 T CA -0.413 61.687 62.100 -0.001 0.000 0.983 597 T CB 1.326 70.182 68.868 -0.021 0.000 0.968 597 T HN 0.446 nan 8.240 nan 0.000 0.446 598 L N 2.846 124.078 121.223 0.015 0.000 2.341 598 L HA 0.582 4.924 4.340 0.004 0.000 0.278 598 L C -0.144 176.720 176.870 -0.010 0.000 1.005 598 L CA -0.718 54.137 54.840 0.026 0.000 0.818 598 L CB 1.737 43.829 42.059 0.055 0.000 1.259 598 L HN 0.637 nan 8.230 nan 0.000 0.418 599 E N 2.778 122.954 120.200 -0.040 0.000 2.275 599 E HA 0.437 4.790 4.350 0.004 0.000 0.270 599 E C -1.398 175.148 176.600 -0.091 0.000 0.882 599 E CA -0.792 55.574 56.400 -0.056 0.000 0.758 599 E CB 3.161 32.828 29.700 -0.055 0.000 1.195 599 E HN 0.153 nan 8.360 nan 0.000 0.419 600 V N 3.922 123.791 119.914 -0.075 0.000 2.465 600 V HA 0.152 4.275 4.120 0.004 0.000 0.279 600 V C 0.727 176.775 176.094 -0.077 0.000 1.045 600 V CA -0.327 61.920 62.300 -0.088 0.000 0.938 600 V CB 0.984 32.771 31.823 -0.060 0.000 0.986 600 V HN 0.688 nan 8.190 nan 0.000 0.467 601 L N 5.088 126.258 121.223 -0.088 0.000 2.653 601 L HA 0.357 4.699 4.340 0.004 0.000 0.231 601 L C 0.512 177.350 176.870 -0.053 0.000 1.153 601 L CA 0.063 54.862 54.840 -0.069 0.000 0.933 601 L CB -0.508 41.505 42.059 -0.077 0.000 1.175 601 L HN 0.903 nan 8.230 nan 0.000 0.473 602 N N -1.393 117.278 118.700 -0.048 0.000 3.227 602 N HA 0.061 4.803 4.740 0.004 0.000 0.241 602 N C -1.143 174.349 175.510 -0.030 0.000 1.480 602 N CA -0.742 52.286 53.050 -0.036 0.000 0.886 602 N CB 1.329 39.796 38.487 -0.034 0.000 1.406 602 N HN -0.074 nan 8.380 nan 0.000 0.514 603 E N -0.083 120.104 120.200 -0.022 0.000 2.384 603 E HA 0.421 4.773 4.350 0.004 0.000 0.266 603 E C -0.564 176.027 176.600 -0.016 0.000 1.012 603 E CA -0.341 56.048 56.400 -0.017 0.000 0.901 603 E CB 0.573 30.266 29.700 -0.013 0.000 0.967 603 E HN 0.600 nan 8.360 nan 0.000 0.435 604 A N 5.399 128.212 122.820 -0.013 0.000 2.290 604 A HA 0.524 4.847 4.320 0.004 0.000 0.310 604 A C -0.506 177.076 177.584 -0.003 0.000 1.202 604 A CA -0.475 51.557 52.037 -0.009 0.000 0.837 604 A CB 0.698 19.693 19.000 -0.008 0.000 1.139 604 A HN 0.684 nan 8.150 nan 0.000 0.509 605 R N 0.948 121.447 120.500 -0.001 0.000 2.771 605 R HA 0.519 4.861 4.340 0.004 0.000 0.274 605 R C -0.580 175.723 176.300 0.005 0.000 0.987 605 R CA -0.950 55.151 56.100 0.002 0.000 0.908 605 R CB 2.009 32.309 30.300 0.001 0.000 1.213 605 R HN 0.730 nan 8.270 nan 0.000 0.468 606 V N 0.308 120.225 119.914 0.006 0.000 2.788 606 V HA 0.033 4.156 4.120 0.004 0.000 0.307 606 V C 0.861 176.961 176.094 0.010 0.000 1.069 606 V CA -0.046 62.260 62.300 0.009 0.000 1.173 606 V CB 0.276 32.104 31.823 0.008 0.000 0.925 606 V HN 0.873 nan 8.190 nan 0.000 0.492 607 R N -0.289 120.219 120.500 0.013 0.000 4.000 607 R HA -0.149 4.194 4.340 0.004 0.000 0.348 607 R C -0.175 176.133 176.300 0.012 0.000 1.204 607 R CA 1.561 57.669 56.100 0.014 0.000 0.987 607 R CB -0.855 29.453 30.300 0.013 0.000 1.446 607 R HN 0.848 nan 8.270 nan 0.000 0.555 608 K N 0.368 120.774 120.400 0.010 0.000 2.270 608 K HA 0.390 4.713 4.320 0.004 0.000 0.255 608 K C -2.537 174.067 176.600 0.007 0.000 0.936 608 K CA -2.448 53.844 56.287 0.007 0.000 0.809 608 K CB 1.529 34.031 32.500 0.003 0.000 1.131 608 K HN -0.229 nan 8.250 nan 0.000 0.427 609 P HA 0.040 nan 4.420 nan 0.000 0.265 609 P C -0.666 176.630 177.300 -0.007 0.000 1.193 609 P CA -0.145 62.958 63.100 0.005 0.000 0.765 609 P CB 0.511 32.213 31.700 0.004 0.000 0.823 610 V N 4.639 124.545 119.914 -0.012 0.000 2.409 610 V HA 0.229 4.352 4.120 0.004 0.000 0.291 610 V C -0.008 176.042 176.094 -0.074 0.000 1.020 610 V CA -0.652 61.627 62.300 -0.035 0.000 0.848 610 V CB 1.326 33.133 31.823 -0.027 0.000 0.990 610 V HN 0.458 nan 8.190 nan 0.000 0.430 611 N N 3.606 122.251 118.700 -0.091 0.000 2.442 611 N HA 0.505 5.247 4.740 0.004 0.000 0.265 611 N C -0.555 174.821 175.510 -0.224 0.000 1.138 611 N CA -0.201 52.764 53.050 -0.141 0.000 0.956 611 N CB 1.462 39.889 38.487 -0.100 0.000 1.067 611 N HN 0.453 nan 8.380 nan 0.000 0.474 612 V N 1.176 120.840 119.914 -0.418 0.000 3.046 612 V HA 0.549 4.672 4.120 0.004 0.000 0.316 612 V C -0.328 175.398 176.094 -0.614 0.000 1.104 612 V CA -0.845 61.108 62.300 -0.580 0.000 1.006 612 V CB 2.029 33.286 31.823 -0.942 0.000 1.058 612 V HN 0.641 nan 8.190 nan 0.000 0.440 613 Q N 1.842 121.397 119.800 -0.408 0.000 2.295 613 Q HA 0.541 4.883 4.340 0.004 0.000 0.268 613 Q C -1.600 174.377 176.000 -0.039 0.000 1.010 613 Q CA -0.505 55.180 55.803 -0.197 0.000 0.856 613 Q CB 2.302 30.968 28.738 -0.121 0.000 1.349 613 Q HN 0.829 nan 8.270 nan 0.000 0.412 614 M N 5.724 125.378 119.600 0.090 0.000 2.238 614 M HA 0.500 4.982 4.480 0.004 0.000 0.350 614 M C -1.982 174.346 176.300 0.047 0.000 1.138 614 M CA -0.601 54.772 55.300 0.121 0.000 1.040 614 M CB 0.746 33.476 32.600 0.216 0.000 1.639 614 M HN 0.701 nan 8.290 nan 0.000 0.451 615 L N 5.803 127.033 121.223 0.012 0.000 2.385 615 L HA 0.645 4.987 4.340 0.004 0.000 0.273 615 L C -1.407 175.454 176.870 -0.015 0.000 0.990 615 L CA -0.670 54.160 54.840 -0.017 0.000 0.821 615 L CB 2.045 44.081 42.059 -0.037 0.000 1.279 615 L HN 0.703 nan 8.230 nan 0.000 0.412 616 F N 1.509 121.311 119.950 -0.245 0.000 2.588 616 F HA 0.569 5.099 4.527 0.005 0.000 0.314 616 F C -0.872 174.777 175.800 -0.252 0.000 1.134 616 F CA -0.310 57.482 58.000 -0.347 0.000 0.961 616 F CB 2.206 40.785 39.000 -0.702 0.000 1.239 616 F HN 0.309 nan 8.300 nan 0.000 0.448 617 S N 4.149 119.153 115.700 -1.160 0.000 2.478 617 S HA 0.286 4.759 4.470 0.004 0.000 0.312 617 S C -0.951 172.928 174.600 -1.202 0.000 1.094 617 S CA -0.701 56.982 58.200 -0.861 0.000 1.081 617 S CB 1.126 64.040 63.200 -0.476 0.000 1.007 617 S HN 0.625 nan 8.310 nan 0.000 0.475 618 N N 4.224 122.536 118.700 -0.646 0.000 2.402 618 N HA 0.220 4.963 4.740 0.004 0.000 0.252 618 N C -1.357 174.052 175.510 -0.168 0.000 1.118 618 N CA -2.012 50.867 53.050 -0.285 0.000 0.945 618 N CB 0.908 39.430 38.487 0.059 0.000 1.147 618 N HN 0.248 nan 8.380 nan 0.000 0.495 619 P HA -0.041 nan 4.420 nan 0.000 0.233 619 P C 0.179 177.466 177.300 -0.022 0.000 1.167 619 P CA 0.551 63.600 63.100 -0.084 0.000 0.770 619 P CB 0.479 32.128 31.700 -0.086 0.000 0.837 620 L N 0.415 121.672 121.223 0.058 0.000 2.466 620 L HA 0.177 4.519 4.340 0.004 0.000 0.257 620 L C 1.412 178.278 176.870 -0.007 0.000 1.189 620 L CA -0.174 54.664 54.840 -0.003 0.000 0.813 620 L CB 0.113 42.202 42.059 0.051 0.000 1.118 620 L HN -0.248 nan 8.230 nan 0.000 0.471 621 D N -0.065 120.320 120.400 -0.026 0.000 2.339 621 D HA 0.019 4.661 4.640 0.004 0.000 0.217 621 D C 0.260 176.569 176.300 0.015 0.000 1.050 621 D CA 0.350 54.346 54.000 -0.006 0.000 0.856 621 D CB 0.392 41.186 40.800 -0.010 0.000 0.922 621 D HN 0.619 nan 8.370 nan 0.000 0.518 622 E N 0.704 120.922 120.200 0.030 0.000 2.299 622 E HA 0.499 4.851 4.350 0.004 0.000 0.265 622 E C -2.890 173.750 176.600 0.067 0.000 0.911 622 E CA -2.111 54.315 56.400 0.043 0.000 0.789 622 E CB 2.513 32.240 29.700 0.045 0.000 1.246 622 E HN -0.233 nan 8.360 nan 0.000 0.427 623 P HA 0.083 nan 4.420 nan 0.000 0.276 623 P C -0.339 177.032 177.300 0.117 0.000 1.261 623 P CA -0.526 62.630 63.100 0.093 0.000 0.800 623 P CB 1.079 32.821 31.700 0.069 0.000 1.066 624 V N -1.160 118.856 119.914 0.169 0.000 2.495 624 V HA 0.669 4.791 4.120 0.004 0.000 0.298 624 V C 0.047 176.223 176.094 0.136 0.000 1.031 624 V CA -0.849 61.563 62.300 0.187 0.000 0.871 624 V CB 1.525 33.566 31.823 0.363 0.000 0.988 624 V HN 0.488 nan 8.190 nan 0.000 0.432 625 R N 1.500 122.043 120.500 0.072 0.000 2.943 625 R HA 0.607 4.949 4.340 0.004 0.000 0.246 625 R C -0.642 175.651 176.300 -0.012 0.000 1.201 625 R CA -0.696 55.425 56.100 0.035 0.000 1.056 625 R CB 0.581 30.891 30.300 0.017 0.000 1.243 625 R HN 0.785 nan 8.270 nan 0.000 0.498 626 D N -0.226 120.157 120.400 -0.030 0.000 2.708 626 D HA -0.159 4.483 4.640 0.004 0.000 0.236 626 D C -0.682 175.536 176.300 -0.137 0.000 1.146 626 D CA 0.596 54.555 54.000 -0.069 0.000 0.662 626 D CB -1.702 39.058 40.800 -0.067 0.000 1.059 626 D HN 0.392 nan 8.370 nan 0.000 0.428 627 C N 0.640 119.858 119.300 -0.137 0.000 2.629 627 C HA 0.419 4.882 4.460 0.004 0.000 0.410 627 C C 1.032 175.833 174.990 -0.315 0.000 1.339 627 C CA -0.666 58.166 59.018 -0.311 0.000 1.810 627 C CB 0.443 28.126 27.740 -0.095 0.000 2.549 627 C HN 0.163 nan 8.230 nan 0.000 0.589 628 V N 5.470 125.085 119.914 -0.499 0.000 2.686 628 V HA 0.461 4.584 4.120 0.004 0.000 0.306 628 V C -0.361 175.535 176.094 -0.329 0.000 1.065 628 V CA -0.487 61.624 62.300 -0.315 0.000 0.894 628 V CB 1.828 33.507 31.823 -0.241 0.000 1.004 628 V HN 0.774 nan 8.190 nan 0.000 0.424 629 L N 5.537 126.676 121.223 -0.142 0.000 2.296 629 L HA 0.648 4.990 4.340 0.004 0.000 0.286 629 L C -1.062 175.737 176.870 -0.119 0.000 1.023 629 L CA -0.412 54.397 54.840 -0.050 0.000 0.812 629 L CB 1.563 43.648 42.059 0.043 0.000 1.223 629 L HN 0.566 nan 8.230 nan 0.000 0.421 630 M N 5.817 125.346 119.600 -0.118 0.000 2.190 630 M HA 0.466 4.949 4.480 0.004 0.000 0.312 630 M C -0.909 175.308 176.300 -0.138 0.000 0.990 630 M CA -0.581 54.636 55.300 -0.138 0.000 0.927 630 M CB 1.711 34.231 32.600 -0.133 0.000 1.571 630 M HN 0.191 nan 8.290 nan 0.000 0.427 631 V N 3.206 123.012 119.914 -0.181 0.000 2.709 631 V HA 0.693 4.815 4.120 0.004 0.000 0.308 631 V C -0.401 175.617 176.094 -0.127 0.000 1.062 631 V CA -0.652 61.544 62.300 -0.173 0.000 0.901 631 V CB 2.466 34.087 31.823 -0.336 0.000 1.003 631 V HN 0.936 nan 8.190 nan 0.000 0.425 632 E N 2.521 122.671 120.200 -0.084 0.000 2.437 632 E HA 0.831 5.184 4.350 0.004 0.000 0.280 632 E C -0.642 175.930 176.600 -0.047 0.000 1.044 632 E CA -0.975 55.385 56.400 -0.066 0.000 0.826 632 E CB 2.507 32.154 29.700 -0.087 0.000 1.358 632 E HN 1.107 nan 8.360 nan 0.000 0.459 633 G N 0.705 109.485 108.800 -0.033 0.000 1.843 633 G HA2 0.260 4.222 3.960 0.004 0.000 0.278 633 G HA3 0.260 4.222 3.960 0.004 0.000 0.278 633 G C -0.944 173.961 174.900 0.009 0.000 1.708 633 G CA -0.655 44.434 45.100 -0.019 0.000 0.918 633 G HN 0.387 nan 8.290 nan 0.000 0.661 634 S N 0.265 115.975 115.700 0.017 0.000 2.546 634 S HA 0.418 4.890 4.470 0.004 0.000 0.290 634 S C 1.681 176.319 174.600 0.063 0.000 1.290 634 S CA 1.738 59.973 58.200 0.057 0.000 1.069 634 S CB 1.010 64.269 63.200 0.098 0.000 0.846 634 S HN 2.372 nan 8.310 nan 0.000 0.495 635 G N 2.155 110.992 108.800 0.063 0.000 2.205 635 G HA2 -0.239 3.723 3.960 0.004 0.000 0.261 635 G HA3 -0.239 3.723 3.960 0.004 0.000 0.261 635 G C 0.540 175.464 174.900 0.040 0.000 0.980 635 G CA 0.474 45.604 45.100 0.050 0.000 0.632 635 G HN 0.596 nan 8.290 nan 0.000 0.533 636 L N -0.434 120.814 121.223 0.042 0.000 2.467 636 L HA 0.566 4.908 4.340 0.004 0.000 0.213 636 L C 1.130 178.030 176.870 0.051 0.000 1.053 636 L CA 0.987 55.854 54.840 0.045 0.000 0.847 636 L CB 0.211 42.299 42.059 0.048 0.000 1.075 636 L HN 0.484 nan 8.230 nan 0.000 0.479 637 L N -2.895 118.356 121.223 0.046 0.000 2.582 637 L HA 0.477 4.820 4.340 0.004 0.000 0.257 637 L C -1.307 175.583 176.870 0.032 0.000 0.974 637 L CA -0.887 53.980 54.840 0.043 0.000 0.851 637 L CB 1.919 44.008 42.059 0.050 0.000 1.424 637 L HN -0.203 nan 8.230 nan 0.000 0.412 638 L N 3.165 124.406 121.223 0.030 0.000 2.315 638 L HA 0.623 4.966 4.340 0.004 0.000 0.283 638 L C 1.195 178.074 176.870 0.015 0.000 1.089 638 L CA 0.804 55.660 54.840 0.028 0.000 0.833 638 L CB 0.235 42.312 42.059 0.030 0.000 1.170 638 L HN 1.107 nan 8.230 nan 0.000 0.442 639 G N 4.030 112.838 108.800 0.013 0.000 2.569 639 G HA2 -0.346 3.616 3.960 0.004 0.000 0.259 639 G HA3 -0.346 3.616 3.960 0.004 0.000 0.259 639 G C -0.410 174.478 174.900 -0.020 0.000 1.263 639 G CA -0.009 45.091 45.100 0.001 0.000 0.928 639 G HN 0.771 nan 8.290 nan 0.000 0.572 640 N N -0.464 118.219 118.700 -0.027 0.000 2.400 640 N HA 0.575 5.317 4.740 0.004 0.000 0.288 640 N C -0.191 175.276 175.510 -0.070 0.000 1.024 640 N CA -0.674 52.345 53.050 -0.052 0.000 0.894 640 N CB 1.165 39.627 38.487 -0.042 0.000 1.173 640 N HN 0.713 nan 8.380 nan 0.000 0.487 641 L N 3.241 124.396 121.223 -0.112 0.000 2.276 641 L HA 0.401 4.743 4.340 0.004 0.000 0.286 641 L C -0.448 176.323 176.870 -0.165 0.000 1.061 641 L CA -0.623 54.129 54.840 -0.147 0.000 0.807 641 L CB 0.543 42.459 42.059 -0.237 0.000 1.177 641 L HN 0.631 nan 8.230 nan 0.000 0.429 642 K N 6.508 126.832 120.400 -0.126 0.000 2.307 642 K HA 0.586 4.909 4.320 0.004 0.000 0.263 642 K C -1.454 175.083 176.600 -0.106 0.000 0.973 642 K CA -0.533 55.684 56.287 -0.118 0.000 0.846 642 K CB 1.279 33.725 32.500 -0.091 0.000 1.100 642 K HN 0.614 nan 8.250 nan 0.000 0.438 643 I N 3.440 123.946 120.570 -0.108 0.000 2.466 643 I HA 0.192 4.365 4.170 0.004 0.000 0.289 643 I C -0.727 175.362 176.117 -0.046 0.000 1.026 643 I CA -1.030 60.230 61.300 -0.066 0.000 1.078 643 I CB 1.967 39.931 38.000 -0.060 0.000 1.249 643 I HN 0.576 nan 8.210 nan 0.000 0.429 644 D N 6.031 126.412 120.400 -0.030 0.000 2.312 644 D HA 0.280 4.922 4.640 0.004 0.000 0.252 644 D C -0.399 175.908 176.300 0.012 0.000 1.150 644 D CA 0.045 54.029 54.000 -0.027 0.000 0.870 644 D CB 2.354 43.139 40.800 -0.025 0.000 1.153 644 D HN 0.044 nan 8.370 nan 0.000 0.457 645 V N 4.669 124.599 119.914 0.026 0.000 2.483 645 V HA 0.287 4.410 4.120 0.004 0.000 0.295 645 V C -1.976 174.165 176.094 0.079 0.000 1.035 645 V CA -1.677 60.678 62.300 0.092 0.000 0.896 645 V CB 1.767 33.717 31.823 0.212 0.000 0.986 645 V HN 0.393 nan 8.190 nan 0.000 0.447 646 P HA 0.127 nan 4.420 nan 0.000 0.270 646 P C -0.002 177.354 177.300 0.093 0.000 1.223 646 P CA -0.137 63.005 63.100 0.069 0.000 0.785 646 P CB 0.161 31.899 31.700 0.062 0.000 0.923 647 T N 2.026 116.624 114.554 0.074 0.000 2.905 647 T HA 0.042 4.394 4.350 0.004 0.000 0.299 647 T C 0.117 174.883 174.700 0.111 0.000 1.024 647 T CA 0.450 62.603 62.100 0.088 0.000 1.151 647 T CB -0.235 68.669 68.868 0.061 0.000 0.987 647 T HN 0.175 nan 8.240 nan 0.000 0.535 648 L N 4.612 125.929 121.223 0.156 0.000 2.280 648 L HA 0.616 4.958 4.340 0.004 0.000 0.287 648 L C 0.722 177.669 176.870 0.129 0.000 1.023 648 L CA -0.098 54.837 54.840 0.159 0.000 0.819 648 L CB 0.609 42.816 42.059 0.247 0.000 1.212 648 L HN 0.716 nan 8.230 nan 0.000 0.420 649 G N 4.904 113.754 108.800 0.083 0.000 2.716 649 G HA2 0.275 4.237 3.960 0.004 0.000 0.251 649 G HA3 0.275 4.237 3.960 0.004 0.000 0.251 649 G C -2.592 172.342 174.900 0.056 0.000 1.224 649 G CA -1.031 44.106 45.100 0.061 0.000 0.891 649 G HN 0.564 nan 8.290 nan 0.000 0.561 650 P HA 0.111 nan 4.420 nan 0.000 0.264 650 P C 0.045 177.345 177.300 0.000 0.000 1.193 650 P CA 0.330 63.447 63.100 0.028 0.000 0.763 650 P CB 0.455 32.166 31.700 0.019 0.000 0.810 651 K N -0.416 119.972 120.400 -0.020 0.000 3.048 651 K HA -0.245 4.077 4.320 0.004 0.000 0.274 651 K C 0.099 176.661 176.600 -0.064 0.000 1.098 651 K CA 0.990 57.243 56.287 -0.056 0.000 0.807 651 K CB -1.107 31.365 32.500 -0.046 0.000 1.217 651 K HN 0.620 nan 8.250 nan 0.000 0.477 652 E N 0.295 120.466 120.200 -0.048 0.000 2.254 652 E HA 0.420 4.773 4.350 0.004 0.000 0.261 652 E C -0.209 176.343 176.600 -0.080 0.000 1.051 652 E CA -0.900 55.475 56.400 -0.043 0.000 0.902 652 E CB 1.411 31.110 29.700 -0.003 0.000 1.168 652 E HN 0.118 nan 8.360 nan 0.000 0.423 653 R N 0.336 120.797 120.500 -0.065 0.000 2.670 653 R HA 0.344 4.686 4.340 0.004 0.000 0.289 653 R C -1.243 175.044 176.300 -0.023 0.000 0.965 653 R CA -0.385 55.663 56.100 -0.088 0.000 0.899 653 R CB 1.890 32.130 30.300 -0.100 0.000 1.173 653 R HN 0.409 nan 8.270 nan 0.000 0.456 654 S N 2.577 118.275 115.700 -0.003 0.000 2.449 654 S HA 0.425 4.898 4.470 0.004 0.000 0.310 654 S C -0.905 173.711 174.600 0.026 0.000 1.096 654 S CA -0.766 57.463 58.200 0.048 0.000 1.095 654 S CB 0.800 64.069 63.200 0.116 0.000 1.007 654 S HN 0.639 nan 8.310 nan 0.000 0.474 655 R N 4.267 124.788 120.500 0.034 0.000 2.435 655 R HA 0.618 4.960 4.340 0.004 0.000 0.308 655 R C -1.866 174.469 176.300 0.057 0.000 0.975 655 R CA -0.480 55.637 56.100 0.029 0.000 0.867 655 R CB 1.170 31.475 30.300 0.008 0.000 1.171 655 R HN 0.522 nan 8.270 nan 0.000 0.470 656 V N 5.225 125.191 119.914 0.088 0.000 2.417 656 V HA 0.515 4.638 4.120 0.004 0.000 0.291 656 V C 0.019 176.204 176.094 0.152 0.000 1.024 656 V CA -0.840 61.542 62.300 0.137 0.000 0.861 656 V CB 1.654 33.591 31.823 0.190 0.000 0.985 656 V HN 0.664 nan 8.190 nan 0.000 0.436 657 R N 4.357 124.930 120.500 0.122 0.000 2.346 657 R HA 0.709 5.051 4.340 0.004 0.000 0.311 657 R C -1.111 175.289 176.300 0.168 0.000 0.983 657 R CA -0.274 55.858 56.100 0.054 0.000 0.880 657 R CB 1.918 32.225 30.300 0.011 0.000 1.100 657 R HN 0.742 nan 8.270 nan 0.000 0.453 658 F N -1.016 118.938 119.950 0.008 0.000 2.665 658 F HA 0.439 4.968 4.527 0.004 0.000 0.308 658 F C -1.384 174.418 175.800 0.004 0.000 1.112 658 F CA -1.307 56.697 58.000 0.007 0.000 0.972 658 F CB 1.395 40.401 39.000 0.009 0.000 1.295 658 F HN 0.183 nan 8.300 nan 0.000 0.440 659 D N 3.512 124.005 120.400 0.155 0.000 2.198 659 D HA 0.640 5.283 4.640 0.004 0.000 0.247 659 D C -0.130 176.273 176.300 0.172 0.000 1.010 659 D CA -0.106 53.930 54.000 0.059 0.000 0.880 659 D CB 2.367 43.188 40.800 0.036 0.000 1.209 659 D HN 0.813 nan 8.370 nan 0.000 0.451 660 I N -1.997 118.637 120.570 0.106 0.000 2.957 660 I HA 0.648 4.820 4.170 0.004 0.000 0.310 660 I C -1.212 174.943 176.117 0.063 0.000 1.063 660 I CA -1.190 60.185 61.300 0.124 0.000 1.033 660 I CB 2.032 40.120 38.000 0.146 0.000 1.230 660 I HN 0.061 nan 8.210 nan 0.000 0.447 661 L N 4.520 125.777 121.223 0.057 0.000 2.454 661 L HA 0.624 4.967 4.340 0.004 0.000 0.258 661 L C -2.572 174.319 176.870 0.035 0.000 1.025 661 L CA -1.594 53.269 54.840 0.038 0.000 0.901 661 L CB 0.908 42.988 42.059 0.036 0.000 1.210 661 L HN 0.421 nan 8.230 nan 0.000 0.457 662 P HA 0.108 nan 4.420 nan 0.000 0.264 662 P C 0.023 177.337 177.300 0.024 0.000 1.179 662 P CA 0.365 63.481 63.100 0.027 0.000 0.763 662 P CB 0.738 32.449 31.700 0.019 0.000 0.806 663 S N 1.717 117.432 115.700 0.025 0.000 2.589 663 S HA 0.185 4.658 4.470 0.004 0.000 0.235 663 S C 0.541 175.149 174.600 0.014 0.000 1.051 663 S CA -0.275 57.938 58.200 0.022 0.000 0.978 663 S CB 0.407 63.625 63.200 0.029 0.000 0.929 663 S HN 0.379 nan 8.310 nan 0.000 0.523 664 R N 2.234 122.742 120.500 0.013 0.000 2.575 664 R HA 0.506 4.849 4.340 0.004 0.000 0.293 664 R C -0.658 175.644 176.300 0.005 0.000 0.983 664 R CA -0.128 55.973 56.100 0.002 0.000 0.887 664 R CB 1.910 32.207 30.300 -0.006 0.000 1.184 664 R HN 0.397 nan 8.270 nan 0.000 0.445 665 S N 1.941 117.642 115.700 0.000 0.000 2.600 665 S HA 0.789 5.262 4.470 0.004 0.000 0.265 665 S C 0.567 175.169 174.600 0.005 0.000 1.325 665 S CA 0.324 58.526 58.200 0.003 0.000 1.002 665 S CB 1.493 64.694 63.200 0.002 0.000 0.921 665 S HN 1.078 nan 8.310 nan 0.000 0.554 666 G N 0.037 108.842 108.800 0.007 0.000 2.409 666 G HA2 0.056 4.018 3.960 0.004 0.000 0.421 666 G HA3 0.056 4.018 3.960 0.004 0.000 0.421 666 G C -0.619 174.288 174.900 0.013 0.000 1.259 666 G CA -0.510 44.596 45.100 0.010 0.000 1.011 666 G HN 1.038 nan 8.290 nan 0.000 0.497 667 T N 2.828 117.392 114.554 0.016 0.000 2.739 667 T HA 0.526 4.879 4.350 0.004 0.000 0.298 667 T C 0.309 175.022 174.700 0.023 0.000 0.929 667 T CA -0.130 61.980 62.100 0.016 0.000 1.014 667 T CB 0.680 69.558 68.868 0.015 0.000 0.914 667 T HN 0.548 nan 8.240 nan 0.000 0.509 668 K N 2.599 123.011 120.400 0.021 0.000 2.211 668 K HA 0.478 4.800 4.320 0.004 0.000 0.237 668 K C -0.221 176.390 176.600 0.018 0.000 1.002 668 K CA -0.906 55.396 56.287 0.025 0.000 0.885 668 K CB 1.435 33.951 32.500 0.027 0.000 1.136 668 K HN 0.516 nan 8.250 nan 0.000 0.448 669 Q N 1.358 121.166 119.800 0.015 0.000 2.309 669 Q HA 0.365 4.707 4.340 0.004 0.000 0.270 669 Q C -1.578 174.420 176.000 -0.003 0.000 1.023 669 Q CA -0.809 54.994 55.803 0.000 0.000 0.758 669 Q CB 1.347 30.076 28.738 -0.013 0.000 1.247 669 Q HN 0.411 nan 8.270 nan 0.000 0.455 670 L N 5.159 126.386 121.223 0.007 0.000 2.289 670 L HA 0.571 4.914 4.340 0.004 0.000 0.285 670 L C -1.652 175.221 176.870 0.004 0.000 1.049 670 L CA -0.178 54.675 54.840 0.020 0.000 0.804 670 L CB 1.145 43.239 42.059 0.058 0.000 1.195 670 L HN 0.673 nan 8.230 nan 0.000 0.428 671 L N 4.811 126.026 121.223 -0.014 0.000 2.370 671 L HA 0.948 5.290 4.340 0.004 0.000 0.266 671 L C -0.586 176.269 176.870 -0.025 0.000 1.002 671 L CA -0.749 54.072 54.840 -0.031 0.000 0.818 671 L CB 1.911 43.923 42.059 -0.078 0.000 1.325 671 L HN 0.752 nan 8.230 nan 0.000 0.418 672 A N 1.140 123.952 122.820 -0.013 0.000 2.539 672 A HA 0.682 5.004 4.320 0.004 0.000 0.296 672 A C -1.875 175.706 177.584 -0.004 0.000 1.073 672 A CA -0.455 51.575 52.037 -0.011 0.000 0.700 672 A CB 2.050 21.069 19.000 0.031 0.000 1.296 672 A HN 0.730 nan 8.150 nan 0.000 0.405 673 D N 0.038 120.430 120.400 -0.014 0.000 2.629 673 D HA 0.574 5.217 4.640 0.004 0.000 0.250 673 D C -1.660 174.648 176.300 0.014 0.000 1.126 673 D CA -0.058 53.936 54.000 -0.011 0.000 0.852 673 D CB 0.980 41.743 40.800 -0.061 0.000 1.335 673 D HN 0.326 nan 8.370 nan 0.000 0.518 674 F N 3.212 123.084 119.950 -0.130 0.000 2.403 674 F HA 0.562 5.090 4.527 0.002 0.000 0.355 674 F C -1.090 174.609 175.800 -0.168 0.000 1.119 674 F CA -0.399 57.491 58.000 -0.184 0.000 1.007 674 F CB 1.378 40.197 39.000 -0.300 0.000 1.194 674 F HN 0.202 nan 8.300 nan 0.000 0.443 675 S N 5.193 120.518 115.700 -0.625 0.000 2.500 675 S HA 0.763 5.235 4.470 0.004 0.000 0.301 675 S C -0.923 173.334 174.600 -0.571 0.000 1.092 675 S CA -0.572 57.376 58.200 -0.420 0.000 1.030 675 S CB 1.063 64.113 63.200 -0.250 0.000 1.031 675 S HN 0.870 nan 8.310 nan 0.000 0.483 676 C N 2.156 121.278 119.300 -0.296 0.000 3.323 676 C HA 0.595 5.058 4.460 0.004 0.000 0.324 676 C C 1.582 176.536 174.990 -0.060 0.000 1.428 676 C CA -0.914 57.990 59.018 -0.190 0.000 1.368 676 C CB 0.739 28.430 27.740 -0.083 0.000 1.731 676 C HN 0.875 nan 8.230 nan 0.000 0.455 677 N N 1.355 120.031 118.700 -0.041 0.000 2.137 677 N HA -0.210 4.532 4.740 0.004 0.000 0.190 677 N C 0.970 176.437 175.510 -0.071 0.000 1.017 677 N CA 1.973 54.997 53.050 -0.045 0.000 0.859 677 N CB -0.363 38.103 38.487 -0.036 0.000 1.002 677 N HN 0.755 nan 8.380 nan 0.000 0.428 678 K N -0.783 119.555 120.400 -0.103 0.000 2.356 678 K HA 0.276 4.598 4.320 0.004 0.000 0.195 678 K C -0.500 175.774 176.600 -0.543 0.000 1.037 678 K CA 0.192 56.281 56.287 -0.330 0.000 1.014 678 K CB 0.179 32.408 32.500 -0.450 0.000 0.815 678 K HN 0.190 nan 8.250 nan 0.000 0.507 679 F N 1.929 121.939 119.950 0.101 0.000 2.676 679 F HA 0.305 4.834 4.527 0.002 0.000 0.371 679 F C -2.351 173.469 175.800 0.033 0.000 1.141 679 F CA -2.386 55.677 58.000 0.106 0.000 1.133 679 F CB 1.660 40.753 39.000 0.155 0.000 1.376 679 F HN -0.178 nan 8.300 nan 0.000 0.491 680 P HA 0.248 nan 4.420 nan 0.000 0.285 680 P C -0.022 177.341 177.300 0.105 0.000 1.259 680 P CA 0.072 63.226 63.100 0.090 0.000 0.794 680 P CB 1.793 33.548 31.700 0.091 0.000 0.940 681 A N 3.274 126.116 122.820 0.037 0.000 2.519 681 A HA -0.182 4.141 4.320 0.004 0.000 0.297 681 A C 0.271 177.897 177.584 0.070 0.000 1.472 681 A CA 0.290 52.350 52.037 0.039 0.000 0.739 681 A CB -2.543 16.491 19.000 0.056 0.000 1.096 681 A HN 0.487 nan 8.150 nan 0.000 0.414 682 I N 1.296 121.913 120.570 0.078 0.000 2.441 682 I HA 0.229 4.402 4.170 0.004 0.000 0.287 682 I C 0.619 176.766 176.117 0.050 0.000 1.049 682 I CA -0.259 61.085 61.300 0.073 0.000 1.381 682 I CB 0.854 38.884 38.000 0.050 0.000 1.409 682 I HN 0.273 nan 8.210 nan 0.000 0.523 683 K N 5.286 125.704 120.400 0.030 0.000 2.156 683 K HA 0.874 5.196 4.320 0.004 0.000 0.250 683 K C -0.785 175.819 176.600 0.008 0.000 0.955 683 K CA -0.736 55.559 56.287 0.014 0.000 0.855 683 K CB 2.143 34.640 32.500 -0.005 0.000 1.101 683 K HN 0.678 nan 8.250 nan 0.000 0.434 684 A N 1.752 124.574 122.820 0.004 0.000 2.549 684 A HA 0.777 5.100 4.320 0.004 0.000 0.297 684 A C -1.350 176.232 177.584 -0.004 0.000 1.061 684 A CA -0.753 51.287 52.037 0.004 0.000 0.690 684 A CB 1.821 20.833 19.000 0.020 0.000 1.287 684 A HN 0.731 nan 8.150 nan 0.000 0.402 685 M N 2.031 121.626 119.600 -0.008 0.000 2.433 685 M HA 0.761 5.243 4.480 0.004 0.000 0.290 685 M C -2.563 173.732 176.300 -0.007 0.000 1.173 685 M CA -0.899 54.392 55.300 -0.015 0.000 0.905 685 M CB 1.979 34.559 32.600 -0.033 0.000 1.692 685 M HN 0.861 nan 8.290 nan 0.000 0.462 686 L N 3.018 124.240 121.223 -0.002 0.000 2.516 686 L HA 0.512 4.855 4.340 0.004 0.000 0.267 686 L C -1.302 175.567 176.870 -0.001 0.000 0.957 686 L CA 0.138 54.977 54.840 -0.000 0.000 0.860 686 L CB 2.289 44.353 42.059 0.008 0.000 1.265 686 L HN 0.757 nan 8.230 nan 0.000 0.403 687 S N 5.346 121.043 115.700 -0.004 0.000 2.523 687 S HA 0.725 5.198 4.470 0.004 0.000 0.275 687 S C -0.399 174.201 174.600 -0.000 0.000 1.281 687 S CA -0.322 57.877 58.200 -0.002 0.000 1.050 687 S CB 0.073 63.271 63.200 -0.003 0.000 0.937 687 S HN 0.498 nan 8.310 nan 0.000 0.492 688 I N 3.972 124.545 120.570 0.004 0.000 2.478 688 I HA 0.289 4.461 4.170 0.004 0.000 0.287 688 I C -0.957 175.163 176.117 0.005 0.000 1.042 688 I CA -0.792 60.510 61.300 0.002 0.000 1.067 688 I CB 1.999 40.002 38.000 0.005 0.000 1.233 688 I HN 0.475 nan 8.210 nan 0.000 0.431 689 D N 6.714 127.115 120.400 0.002 0.000 2.365 689 D HA 0.198 4.841 4.640 0.004 0.000 0.237 689 D C -0.178 176.124 176.300 0.003 0.000 1.190 689 D CA -0.058 53.944 54.000 0.003 0.000 0.867 689 D CB 1.963 42.764 40.800 0.002 0.000 1.050 689 D HN 0.054 nan 8.370 nan 0.000 0.491 690 V N 2.349 122.266 119.914 0.006 0.000 2.432 690 V HA 0.410 4.532 4.120 0.004 0.000 0.271 690 V C 0.860 176.957 176.094 0.004 0.000 1.046 690 V CA -0.698 61.605 62.300 0.005 0.000 0.945 690 V CB 0.982 32.810 31.823 0.009 0.000 0.992 690 V HN 0.581 nan 8.190 nan 0.000 0.471 691 A N 4.140 126.961 122.820 0.003 0.000 2.272 691 A HA 0.622 4.944 4.320 0.004 0.000 0.275 691 A C 0.170 177.756 177.584 0.003 0.000 1.096 691 A CA -0.319 51.720 52.037 0.002 0.000 0.822 691 A CB 0.600 19.601 19.000 0.001 0.000 1.088 691 A HN 0.813 nan 8.150 nan 0.000 0.495 692 E N 0.000 120.202 120.200 0.003 0.000 2.725 692 E HA 0.000 4.352 4.350 0.004 0.000 0.291 692 E CA 0.000 56.402 56.400 0.004 0.000 0.976 692 E CB 0.000 29.703 29.700 0.004 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440